USER MOD reduce.3.24.130724 H: found=0, std=0, add=320, rem=0, adj=6 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 -140:sc= -0.396! USER MOD Set 1.2: A 62 CYS SG : rot 133:sc= 0.263 USER MOD Set 1.3: A 80 CYS SG : rot -42:sc= 0.24 USER MOD Set 1.4: A 82 HIS : no HD1:sc= -0.044 X(o=-0.84,f=-0.98) USER MOD Set 1.5: A 83 CYS SG : rot 135:sc= -0.902 USER MOD Single : A 38 THR OG1 : rot 34:sc= 0.163 USER MOD Single : A 55 SER OG : rot 167:sc= 0.773 USER MOD Single : A 68 GLN : amide:sc= -0.428 X(o=-0.43,f=-0.0051) USER MOD Single : A 84 GLN : amide:sc= -0.109 K(o=-0.11,f=-1.9!) USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 38 12.438 -20.705 -24.183 1.00 0.00 N ATOM 235 CA THR A 38 12.273 -21.390 -22.896 1.00 0.00 C ATOM 236 C THR A 38 11.543 -20.503 -21.859 1.00 0.00 C ATOM 237 O THR A 38 10.885 -21.013 -20.952 1.00 0.00 O ATOM 238 CB THR A 38 13.672 -21.822 -22.355 1.00 0.00 C ATOM 239 OG1 THR A 38 14.372 -22.582 -23.358 1.00 0.00 O ATOM 240 CG2 THR A 38 13.577 -22.653 -21.064 1.00 0.00 C ATOM 0 HA THR A 38 11.653 -22.272 -23.057 1.00 0.00 H new ATOM 0 HB THR A 38 14.217 -20.908 -22.120 1.00 0.00 H new ATOM 0 HG1 THR A 38 14.136 -22.245 -24.248 1.00 0.00 H new ATOM 0 HG21 THR A 38 14.579 -22.926 -20.733 1.00 0.00 H new ATOM 0 HG22 THR A 38 13.086 -22.065 -20.288 1.00 0.00 H new ATOM 0 HG23 THR A 38 12.999 -23.557 -21.255 1.00 0.00 H new ATOM 248 N ILE A 39 11.663 -19.177 -22.026 1.00 0.00 N ATOM 249 CA ILE A 39 10.999 -18.181 -21.163 1.00 0.00 C ATOM 250 C ILE A 39 9.463 -18.257 -21.336 1.00 0.00 C ATOM 251 O ILE A 39 8.708 -18.190 -20.351 1.00 0.00 O ATOM 252 CB ILE A 39 11.515 -16.715 -21.475 1.00 0.00 C ATOM 253 CG1 ILE A 39 13.081 -16.658 -21.437 1.00 0.00 C ATOM 254 CG2 ILE A 39 10.888 -15.661 -20.515 1.00 0.00 C ATOM 255 CD1 ILE A 39 13.702 -17.137 -20.133 1.00 0.00 C ATOM 0 H ILE A 39 12.226 -18.761 -22.767 1.00 0.00 H new ATOM 0 HA ILE A 39 11.250 -18.414 -20.128 1.00 0.00 H new ATOM 0 HB ILE A 39 11.189 -16.460 -22.483 1.00 0.00 H new ATOM 0 HG12 ILE A 39 13.473 -17.263 -22.254 1.00 0.00 H new ATOM 0 HG13 ILE A 39 13.398 -15.631 -21.620 1.00 0.00 H new ATOM 0 HG21 ILE A 39 11.269 -14.670 -20.764 1.00 0.00 H new ATOM 0 HG22 ILE A 39 9.803 -15.671 -20.623 1.00 0.00 H new ATOM 0 HG23 ILE A 39 11.153 -15.903 -19.486 1.00 0.00 H new ATOM 0 HD11 ILE A 39 14.787 -17.062 -20.198 1.00 0.00 H new ATOM 0 HD12 ILE A 39 13.344 -16.518 -19.310 1.00 0.00 H new ATOM 0 HD13 ILE A 39 13.420 -18.175 -19.955 1.00 0.00 H new ATOM 267 N GLU A 40 9.023 -18.452 -22.592 1.00 0.00 N ATOM 268 CA GLU A 40 7.586 -18.511 -22.942 1.00 0.00 C ATOM 269 C GLU A 40 7.058 -19.942 -22.709 1.00 0.00 C ATOM 270 O GLU A 40 5.882 -20.145 -22.396 1.00 0.00 O ATOM 271 CB GLU A 40 7.362 -18.037 -24.412 1.00 0.00 C ATOM 272 CG GLU A 40 7.581 -19.091 -25.522 1.00 0.00 C ATOM 273 CD GLU A 40 7.436 -18.516 -26.941 1.00 0.00 C ATOM 274 OE1 GLU A 40 8.429 -17.975 -27.474 1.00 0.00 O ATOM 275 OE2 GLU A 40 6.336 -18.593 -27.527 1.00 0.00 O ATOM 0 H GLU A 40 9.646 -18.573 -23.391 1.00 0.00 H new ATOM 0 HA GLU A 40 7.023 -17.834 -22.299 1.00 0.00 H new ATOM 0 HB2 GLU A 40 6.343 -17.660 -24.497 1.00 0.00 H new ATOM 0 HB3 GLU A 40 8.029 -17.197 -24.604 1.00 0.00 H new ATOM 0 HG2 GLU A 40 8.575 -19.524 -25.412 1.00 0.00 H new ATOM 0 HG3 GLU A 40 6.864 -19.902 -25.391 1.00 0.00 H new ATOM 282 N ASP A 41 7.970 -20.917 -22.845 1.00 0.00 N ATOM 283 CA ASP A 41 7.725 -22.336 -22.520 1.00 0.00 C ATOM 284 C ASP A 41 7.528 -22.508 -20.998 1.00 0.00 C ATOM 285 O ASP A 41 6.764 -23.367 -20.546 1.00 0.00 O ATOM 286 CB ASP A 41 8.919 -23.181 -23.037 1.00 0.00 C ATOM 287 CG ASP A 41 8.884 -24.663 -22.609 1.00 0.00 C ATOM 288 OD1 ASP A 41 8.092 -25.442 -23.175 1.00 0.00 O ATOM 289 OD2 ASP A 41 9.680 -25.060 -21.723 1.00 0.00 O ATOM 0 H ASP A 41 8.914 -20.742 -23.189 1.00 0.00 H new ATOM 0 HA ASP A 41 6.813 -22.680 -23.008 1.00 0.00 H new ATOM 0 HB2 ASP A 41 8.940 -23.130 -24.126 1.00 0.00 H new ATOM 0 HB3 ASP A 41 9.847 -22.734 -22.679 1.00 0.00 H new ATOM 294 N ALA A 42 8.218 -21.649 -20.224 1.00 0.00 N ATOM 295 CA ALA A 42 8.092 -21.600 -18.759 1.00 0.00 C ATOM 296 C ALA A 42 6.698 -21.082 -18.344 1.00 0.00 C ATOM 297 O ALA A 42 6.112 -21.561 -17.372 1.00 0.00 O ATOM 298 CB ALA A 42 9.204 -20.730 -18.163 1.00 0.00 C ATOM 0 H ALA A 42 8.879 -20.969 -20.600 1.00 0.00 H new ATOM 0 HA ALA A 42 8.199 -22.611 -18.366 1.00 0.00 H new ATOM 0 HB1 ALA A 42 9.101 -20.701 -17.078 1.00 0.00 H new ATOM 0 HB2 ALA A 42 10.175 -21.151 -18.424 1.00 0.00 H new ATOM 0 HB3 ALA A 42 9.128 -19.719 -18.562 1.00 0.00 H new ATOM 304 N ILE A 43 6.179 -20.104 -19.109 1.00 0.00 N ATOM 305 CA ILE A 43 4.809 -19.572 -18.928 1.00 0.00 C ATOM 306 C ILE A 43 3.759 -20.650 -19.309 1.00 0.00 C ATOM 307 O ILE A 43 2.721 -20.803 -18.642 1.00 0.00 O ATOM 308 CB ILE A 43 4.578 -18.271 -19.798 1.00 0.00 C ATOM 309 CG1 ILE A 43 5.631 -17.159 -19.468 1.00 0.00 C ATOM 310 CG2 ILE A 43 3.134 -17.725 -19.647 1.00 0.00 C ATOM 311 CD1 ILE A 43 5.588 -16.624 -18.042 1.00 0.00 C ATOM 0 H ILE A 43 6.693 -19.659 -19.869 1.00 0.00 H new ATOM 0 HA ILE A 43 4.691 -19.307 -17.877 1.00 0.00 H new ATOM 0 HB ILE A 43 4.715 -18.562 -20.840 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.627 -17.557 -19.659 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.483 -16.326 -20.156 1.00 0.00 H new ATOM 0 HG21 ILE A 43 3.017 -16.832 -20.260 1.00 0.00 H new ATOM 0 HG22 ILE A 43 2.422 -18.484 -19.972 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.947 -17.475 -18.603 1.00 0.00 H new ATOM 0 HD11 ILE A 43 6.355 -15.860 -17.917 1.00 0.00 H new ATOM 0 HD12 ILE A 43 4.608 -16.189 -17.846 1.00 0.00 H new ATOM 0 HD13 ILE A 43 5.770 -17.439 -17.342 1.00 0.00 H new ATOM 323 N ALA A 44 4.065 -21.396 -20.384 1.00 0.00 N ATOM 324 CA ALA A 44 3.185 -22.435 -20.943 1.00 0.00 C ATOM 325 C ALA A 44 2.960 -23.589 -19.944 1.00 0.00 C ATOM 326 O ALA A 44 1.821 -23.975 -19.677 1.00 0.00 O ATOM 327 CB ALA A 44 3.777 -22.961 -22.258 1.00 0.00 C ATOM 0 H ALA A 44 4.942 -21.293 -20.895 1.00 0.00 H new ATOM 0 HA ALA A 44 2.211 -21.988 -21.141 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.123 -23.730 -22.669 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.866 -22.141 -22.971 1.00 0.00 H new ATOM 0 HB3 ALA A 44 4.763 -23.386 -22.069 1.00 0.00 H new ATOM 333 N ARG A 45 4.058 -24.108 -19.372 1.00 0.00 N ATOM 334 CA ARG A 45 4.003 -25.235 -18.412 1.00 0.00 C ATOM 335 C ARG A 45 3.400 -24.809 -17.055 1.00 0.00 C ATOM 336 O ARG A 45 2.854 -25.641 -16.321 1.00 0.00 O ATOM 337 CB ARG A 45 5.421 -25.840 -18.212 1.00 0.00 C ATOM 338 CG ARG A 45 6.444 -24.886 -17.554 1.00 0.00 C ATOM 339 CD ARG A 45 7.858 -25.488 -17.454 1.00 0.00 C ATOM 340 NE ARG A 45 7.867 -26.761 -16.707 1.00 0.00 N ATOM 341 CZ ARG A 45 8.796 -27.138 -15.817 1.00 0.00 C ATOM 342 NH1 ARG A 45 9.786 -26.323 -15.486 1.00 0.00 N ATOM 343 NH2 ARG A 45 8.708 -28.329 -15.246 1.00 0.00 N ATOM 0 H ARG A 45 5.002 -23.767 -19.555 1.00 0.00 H new ATOM 0 HA ARG A 45 3.346 -25.996 -18.834 1.00 0.00 H new ATOM 0 HB2 ARG A 45 5.335 -26.737 -17.599 1.00 0.00 H new ATOM 0 HB3 ARG A 45 5.808 -26.152 -19.182 1.00 0.00 H new ATOM 0 HG2 ARG A 45 6.490 -23.961 -18.128 1.00 0.00 H new ATOM 0 HG3 ARG A 45 6.096 -24.624 -16.555 1.00 0.00 H new ATOM 0 HD2 ARG A 45 8.253 -25.653 -18.456 1.00 0.00 H new ATOM 0 HD3 ARG A 45 8.521 -24.775 -16.964 1.00 0.00 H new ATOM 0 HE ARG A 45 7.100 -27.410 -16.883 1.00 0.00 H new ATOM 0 HH11 ARG A 45 9.848 -25.397 -15.909 1.00 0.00 H new ATOM 0 HH12 ARG A 45 10.487 -26.621 -14.808 1.00 0.00 H new ATOM 0 HH21 ARG A 45 7.937 -28.953 -15.484 1.00 0.00 H new ATOM 0 HH22 ARG A 45 9.411 -28.623 -14.568 1.00 0.00 H new ATOM 357 N ALA A 46 3.500 -23.503 -16.742 1.00 0.00 N ATOM 358 CA ALA A 46 3.033 -22.944 -15.464 1.00 0.00 C ATOM 359 C ALA A 46 1.498 -22.826 -15.432 1.00 0.00 C ATOM 360 O ALA A 46 0.833 -23.478 -14.620 1.00 0.00 O ATOM 361 CB ALA A 46 3.688 -21.579 -15.226 1.00 0.00 C ATOM 0 H ALA A 46 3.907 -22.809 -17.369 1.00 0.00 H new ATOM 0 HA ALA A 46 3.324 -23.623 -14.663 1.00 0.00 H new ATOM 0 HB1 ALA A 46 3.339 -21.168 -14.278 1.00 0.00 H new ATOM 0 HB2 ALA A 46 4.771 -21.696 -15.194 1.00 0.00 H new ATOM 0 HB3 ALA A 46 3.420 -20.901 -16.036 1.00 0.00 H new ATOM 367 N ARG A 47 0.936 -22.006 -16.344 1.00 0.00 N ATOM 368 CA ARG A 47 -0.509 -21.669 -16.338 1.00 0.00 C ATOM 369 C ARG A 47 -1.239 -22.180 -17.596 1.00 0.00 C ATOM 370 O ARG A 47 -2.466 -22.336 -17.572 1.00 0.00 O ATOM 371 CB ARG A 47 -0.698 -20.135 -16.188 1.00 0.00 C ATOM 372 CG ARG A 47 -0.032 -19.292 -17.294 1.00 0.00 C ATOM 373 CD ARG A 47 -0.377 -17.795 -17.199 1.00 0.00 C ATOM 374 NE ARG A 47 0.100 -17.169 -15.959 1.00 0.00 N ATOM 375 CZ ARG A 47 0.234 -15.851 -15.771 1.00 0.00 C ATOM 376 NH1 ARG A 47 -0.005 -14.994 -16.758 1.00 0.00 N ATOM 377 NH2 ARG A 47 0.615 -15.403 -14.596 1.00 0.00 N ATOM 0 H ARG A 47 1.460 -21.562 -17.098 1.00 0.00 H new ATOM 0 HA ARG A 47 -0.956 -22.176 -15.483 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -1.765 -19.914 -16.175 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -0.296 -19.826 -15.223 1.00 0.00 H new ATOM 0 HG2 ARG A 47 1.049 -19.414 -17.235 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -0.343 -19.670 -18.268 1.00 0.00 H new ATOM 0 HD2 ARG A 47 0.058 -17.274 -18.052 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -1.458 -17.673 -17.268 1.00 0.00 H new ATOM 0 HE ARG A 47 0.347 -17.784 -15.184 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -0.295 -15.338 -17.673 1.00 0.00 H new ATOM 0 HH12 ARG A 47 0.101 -13.992 -16.600 1.00 0.00 H new ATOM 0 HH21 ARG A 47 0.806 -16.058 -13.838 1.00 0.00 H new ATOM 0 HH22 ARG A 47 0.720 -14.400 -14.442 1.00 0.00 H new ATOM 391 N GLY A 48 -0.487 -22.457 -18.673 1.00 0.00 N ATOM 392 CA GLY A 48 -1.078 -22.851 -19.964 1.00 0.00 C ATOM 393 C GLY A 48 -1.594 -21.661 -20.754 1.00 0.00 C ATOM 394 O GLY A 48 -2.700 -21.701 -21.307 1.00 0.00 O ATOM 0 H GLY A 48 0.532 -22.416 -18.676 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -0.331 -23.380 -20.556 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -1.897 -23.549 -19.787 1.00 0.00 H new ATOM 398 N GLU A 49 -0.790 -20.590 -20.780 1.00 0.00 N ATOM 399 CA GLU A 49 -1.108 -19.352 -21.514 1.00 0.00 C ATOM 400 C GLU A 49 -0.566 -19.431 -22.945 1.00 0.00 C ATOM 401 O GLU A 49 -1.288 -19.190 -23.919 1.00 0.00 O ATOM 402 CB GLU A 49 -0.505 -18.139 -20.762 1.00 0.00 C ATOM 403 CG GLU A 49 -0.853 -16.747 -21.332 1.00 0.00 C ATOM 404 CD GLU A 49 -0.346 -15.596 -20.436 1.00 0.00 C ATOM 405 OE1 GLU A 49 0.822 -15.190 -20.583 1.00 0.00 O ATOM 406 OE2 GLU A 49 -1.107 -15.107 -19.564 1.00 0.00 O ATOM 0 H GLU A 49 0.104 -20.555 -20.291 1.00 0.00 H new ATOM 0 HA GLU A 49 -2.190 -19.230 -21.570 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -0.838 -18.178 -19.725 1.00 0.00 H new ATOM 0 HB3 GLU A 49 0.580 -18.245 -20.753 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.419 -16.647 -22.327 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -1.934 -16.665 -21.446 1.00 0.00 H new ATOM 413 N ILE A 50 0.731 -19.756 -23.051 1.00 0.00 N ATOM 414 CA ILE A 50 1.404 -19.940 -24.335 1.00 0.00 C ATOM 415 C ILE A 50 1.063 -21.342 -24.901 1.00 0.00 C ATOM 416 O ILE A 50 1.204 -22.343 -24.186 1.00 0.00 O ATOM 417 CB ILE A 50 2.962 -19.744 -24.196 1.00 0.00 C ATOM 418 CG1 ILE A 50 3.287 -18.307 -23.665 1.00 0.00 C ATOM 419 CG2 ILE A 50 3.699 -20.034 -25.532 1.00 0.00 C ATOM 420 CD1 ILE A 50 2.722 -17.167 -24.509 1.00 0.00 C ATOM 0 H ILE A 50 1.339 -19.898 -22.245 1.00 0.00 H new ATOM 0 HA ILE A 50 1.047 -19.182 -25.032 1.00 0.00 H new ATOM 0 HB ILE A 50 3.328 -20.468 -23.468 1.00 0.00 H new ATOM 0 HG12 ILE A 50 2.900 -18.214 -22.650 1.00 0.00 H new ATOM 0 HG13 ILE A 50 4.369 -18.194 -23.605 1.00 0.00 H new ATOM 0 HG21 ILE A 50 4.771 -19.888 -25.396 1.00 0.00 H new ATOM 0 HG22 ILE A 50 3.509 -21.063 -25.836 1.00 0.00 H new ATOM 0 HG23 ILE A 50 3.336 -19.355 -26.303 1.00 0.00 H new ATOM 0 HD11 ILE A 50 2.999 -16.212 -24.063 1.00 0.00 H new ATOM 0 HD12 ILE A 50 3.127 -17.227 -25.519 1.00 0.00 H new ATOM 0 HD13 ILE A 50 1.636 -17.248 -24.549 1.00 0.00 H new ATOM 492 N SER A 55 -1.672 -22.708 -32.981 1.00 0.00 N ATOM 493 CA SER A 55 -3.009 -23.228 -32.614 1.00 0.00 C ATOM 494 C SER A 55 -2.963 -24.619 -31.949 1.00 0.00 C ATOM 495 O SER A 55 -2.059 -25.413 -32.201 1.00 0.00 O ATOM 496 CB SER A 55 -3.840 -23.304 -33.895 1.00 0.00 C ATOM 497 OG SER A 55 -3.856 -22.045 -34.541 1.00 0.00 O ATOM 0 HA SER A 55 -3.446 -22.553 -31.878 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.424 -24.059 -34.563 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.858 -23.613 -33.659 1.00 0.00 H new ATOM 0 HG SER A 55 -4.200 -22.149 -35.453 1.00 0.00 H new ATOM 503 N LEU A 56 -3.953 -24.886 -31.094 1.00 0.00 N ATOM 504 CA LEU A 56 -4.101 -26.177 -30.385 1.00 0.00 C ATOM 505 C LEU A 56 -5.394 -26.897 -30.834 1.00 0.00 C ATOM 506 O LEU A 56 -6.141 -26.381 -31.675 1.00 0.00 O ATOM 507 CB LEU A 56 -4.053 -25.938 -28.833 1.00 0.00 C ATOM 508 CG LEU A 56 -4.803 -24.672 -28.270 1.00 0.00 C ATOM 509 CD1 LEU A 56 -6.320 -24.723 -28.501 1.00 0.00 C ATOM 510 CD2 LEU A 56 -4.492 -24.426 -26.776 1.00 0.00 C ATOM 0 H LEU A 56 -4.685 -24.213 -30.867 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.271 -26.835 -30.642 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.467 -26.820 -28.344 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -3.007 -25.870 -28.535 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.416 -23.828 -28.841 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.781 -23.824 -28.092 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.523 -24.780 -29.570 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.734 -25.601 -28.005 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -5.031 -23.543 -26.433 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.804 -25.292 -26.192 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.421 -24.269 -26.648 1.00 0.00 H new ATOM 522 N ASP A 57 -5.649 -28.086 -30.255 1.00 0.00 N ATOM 523 CA ASP A 57 -6.859 -28.898 -30.544 1.00 0.00 C ATOM 524 C ASP A 57 -7.755 -29.027 -29.297 1.00 0.00 C ATOM 525 O ASP A 57 -8.756 -29.751 -29.319 1.00 0.00 O ATOM 526 CB ASP A 57 -6.469 -30.314 -31.051 1.00 0.00 C ATOM 527 CG ASP A 57 -5.594 -30.293 -32.313 1.00 0.00 C ATOM 528 OD1 ASP A 57 -6.081 -29.861 -33.383 1.00 0.00 O ATOM 529 OD2 ASP A 57 -4.419 -30.705 -32.248 1.00 0.00 O ATOM 0 H ASP A 57 -5.025 -28.516 -29.572 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.417 -28.381 -31.325 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -5.938 -30.841 -30.259 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -7.377 -30.880 -31.257 1.00 0.00 H new ATOM 534 N GLU A 58 -7.418 -28.275 -28.233 1.00 0.00 N ATOM 535 CA GLU A 58 -8.111 -28.341 -26.926 1.00 0.00 C ATOM 536 C GLU A 58 -8.215 -26.935 -26.310 1.00 0.00 C ATOM 537 O GLU A 58 -7.207 -26.372 -25.881 1.00 0.00 O ATOM 538 CB GLU A 58 -7.384 -29.300 -25.932 1.00 0.00 C ATOM 539 CG GLU A 58 -7.382 -30.783 -26.354 1.00 0.00 C ATOM 540 CD GLU A 58 -6.853 -31.724 -25.263 1.00 0.00 C ATOM 541 OE1 GLU A 58 -5.620 -31.892 -25.146 1.00 0.00 O ATOM 542 OE2 GLU A 58 -7.667 -32.299 -24.515 1.00 0.00 O ATOM 0 H GLU A 58 -6.654 -27.600 -28.252 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.110 -28.738 -27.104 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.352 -28.968 -25.816 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.858 -29.215 -24.954 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.397 -31.079 -26.619 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.772 -30.898 -27.250 1.00 0.00 H new ATOM 549 N CYS A 59 -9.440 -26.373 -26.327 1.00 0.00 N ATOM 550 CA CYS A 59 -9.789 -25.088 -25.673 1.00 0.00 C ATOM 551 C CYS A 59 -9.315 -25.052 -24.210 1.00 0.00 C ATOM 552 O CYS A 59 -9.614 -25.959 -23.461 1.00 0.00 O ATOM 553 CB CYS A 59 -11.326 -24.901 -25.725 1.00 0.00 C ATOM 554 SG CYS A 59 -11.967 -23.453 -24.821 1.00 0.00 S ATOM 0 H CYS A 59 -10.232 -26.804 -26.804 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.287 -24.280 -26.206 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.630 -24.821 -26.769 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -11.798 -25.797 -25.323 1.00 0.00 H new ATOM 0 HG CYS A 59 -13.065 -23.777 -24.204 1.00 0.00 H new ATOM 559 N GLU A 60 -8.604 -23.984 -23.807 1.00 0.00 N ATOM 560 CA GLU A 60 -8.075 -23.850 -22.423 1.00 0.00 C ATOM 561 C GLU A 60 -9.207 -23.651 -21.375 1.00 0.00 C ATOM 562 O GLU A 60 -8.981 -23.776 -20.173 1.00 0.00 O ATOM 563 CB GLU A 60 -7.065 -22.675 -22.354 1.00 0.00 C ATOM 564 CG GLU A 60 -7.675 -21.291 -22.661 1.00 0.00 C ATOM 565 CD GLU A 60 -6.712 -20.131 -22.388 1.00 0.00 C ATOM 566 OE1 GLU A 60 -5.699 -20.011 -23.104 1.00 0.00 O ATOM 567 OE2 GLU A 60 -6.962 -19.336 -21.458 1.00 0.00 O ATOM 0 H GLU A 60 -8.378 -23.197 -24.415 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.568 -24.783 -22.174 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.622 -22.651 -21.358 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.255 -22.866 -23.058 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.982 -21.261 -23.706 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.575 -21.157 -22.060 1.00 0.00 H new ATOM 574 N GLU A 61 -10.423 -23.360 -21.862 1.00 0.00 N ATOM 575 CA GLU A 61 -11.602 -23.082 -21.018 1.00 0.00 C ATOM 576 C GLU A 61 -12.333 -24.396 -20.693 1.00 0.00 C ATOM 577 O GLU A 61 -12.593 -24.719 -19.535 1.00 0.00 O ATOM 578 CB GLU A 61 -12.562 -22.129 -21.789 1.00 0.00 C ATOM 579 CG GLU A 61 -11.909 -20.837 -22.320 1.00 0.00 C ATOM 580 CD GLU A 61 -11.708 -19.737 -21.262 1.00 0.00 C ATOM 581 OE1 GLU A 61 -10.716 -19.791 -20.502 1.00 0.00 O ATOM 582 OE2 GLU A 61 -12.544 -18.804 -21.200 1.00 0.00 O ATOM 0 H GLU A 61 -10.620 -23.310 -22.861 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.283 -22.614 -20.087 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -12.992 -22.673 -22.630 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.387 -21.857 -21.130 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.941 -21.087 -22.753 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.526 -20.439 -23.126 1.00 0.00 H new ATOM 589 N CYS A 62 -12.632 -25.157 -21.758 1.00 0.00 N ATOM 590 CA CYS A 62 -13.537 -26.332 -21.694 1.00 0.00 C ATOM 591 C CYS A 62 -12.773 -27.665 -21.826 1.00 0.00 C ATOM 592 O CYS A 62 -13.273 -28.715 -21.419 1.00 0.00 O ATOM 593 CB CYS A 62 -14.566 -26.242 -22.848 1.00 0.00 C ATOM 594 SG CYS A 62 -15.290 -24.601 -23.084 1.00 0.00 S ATOM 0 H CYS A 62 -12.257 -24.981 -22.690 1.00 0.00 H new ATOM 0 HA CYS A 62 -14.028 -26.316 -20.721 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -14.081 -26.547 -23.775 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -15.368 -26.955 -22.658 1.00 0.00 H new ATOM 0 HG CYS A 62 -15.265 -24.293 -24.347 1.00 0.00 H new ATOM 599 N GLY A 63 -11.556 -27.591 -22.392 1.00 0.00 N ATOM 600 CA GLY A 63 -10.874 -28.762 -22.965 1.00 0.00 C ATOM 601 C GLY A 63 -11.617 -29.316 -24.187 1.00 0.00 C ATOM 602 O GLY A 63 -11.630 -30.520 -24.431 1.00 0.00 O ATOM 0 H GLY A 63 -11.022 -26.725 -22.464 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -9.859 -28.487 -23.251 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -10.791 -29.541 -22.207 1.00 0.00 H new ATOM 606 N ALA A 64 -12.241 -28.399 -24.952 1.00 0.00 N ATOM 607 CA ALA A 64 -13.125 -28.741 -26.086 1.00 0.00 C ATOM 608 C ALA A 64 -12.321 -28.940 -27.385 1.00 0.00 C ATOM 609 O ALA A 64 -11.408 -28.142 -27.651 1.00 0.00 O ATOM 610 CB ALA A 64 -14.176 -27.641 -26.289 1.00 0.00 C ATOM 0 H ALA A 64 -12.146 -27.395 -24.801 1.00 0.00 H new ATOM 0 HA ALA A 64 -13.624 -29.680 -25.847 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -14.821 -27.904 -27.127 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -14.777 -27.541 -25.385 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -13.677 -26.695 -26.499 1.00 0.00 H new ATOM 616 N PRO A 65 -12.665 -29.982 -28.216 1.00 0.00 N ATOM 617 CA PRO A 65 -12.033 -30.212 -29.540 1.00 0.00 C ATOM 618 C PRO A 65 -12.170 -28.993 -30.485 1.00 0.00 C ATOM 619 O PRO A 65 -13.232 -28.756 -31.072 1.00 0.00 O ATOM 620 CB PRO A 65 -12.777 -31.462 -30.091 1.00 0.00 C ATOM 621 CG PRO A 65 -13.284 -32.152 -28.865 1.00 0.00 C ATOM 622 CD PRO A 65 -13.672 -31.041 -27.920 1.00 0.00 C ATOM 0 HA PRO A 65 -10.956 -30.362 -29.461 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -13.593 -31.180 -30.756 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.108 -32.105 -30.663 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -14.138 -32.789 -29.096 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.518 -32.792 -28.428 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -14.689 -30.693 -28.102 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.626 -31.362 -26.879 1.00 0.00 H new ATOM 630 N ILE A 66 -11.092 -28.191 -30.531 1.00 0.00 N ATOM 631 CA ILE A 66 -10.952 -27.021 -31.419 1.00 0.00 C ATOM 632 C ILE A 66 -11.150 -27.423 -32.901 1.00 0.00 C ATOM 633 O ILE A 66 -10.514 -28.381 -33.353 1.00 0.00 O ATOM 634 CB ILE A 66 -9.521 -26.383 -31.219 1.00 0.00 C ATOM 635 CG1 ILE A 66 -9.347 -25.884 -29.761 1.00 0.00 C ATOM 636 CG2 ILE A 66 -9.221 -25.241 -32.230 1.00 0.00 C ATOM 637 CD1 ILE A 66 -10.102 -24.627 -29.430 1.00 0.00 C ATOM 0 H ILE A 66 -10.275 -28.341 -29.939 1.00 0.00 H new ATOM 0 HA ILE A 66 -11.720 -26.292 -31.162 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.795 -27.172 -31.416 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -9.668 -26.673 -29.081 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -8.287 -25.714 -29.574 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.224 -24.842 -32.043 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.271 -25.632 -33.246 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.958 -24.447 -32.111 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -9.919 -24.356 -28.390 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.766 -23.819 -30.080 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -11.169 -24.793 -29.579 1.00 0.00 H new ATOM 649 N PRO A 67 -12.052 -26.729 -33.668 1.00 0.00 N ATOM 650 CA PRO A 67 -12.192 -26.962 -35.118 1.00 0.00 C ATOM 651 C PRO A 67 -10.987 -26.370 -35.882 1.00 0.00 C ATOM 652 O PRO A 67 -10.391 -25.364 -35.448 1.00 0.00 O ATOM 653 CB PRO A 67 -13.519 -26.239 -35.467 1.00 0.00 C ATOM 654 CG PRO A 67 -13.621 -25.137 -34.460 1.00 0.00 C ATOM 655 CD PRO A 67 -13.000 -25.683 -33.187 1.00 0.00 C ATOM 0 HA PRO A 67 -12.212 -28.016 -35.394 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -13.502 -25.847 -36.484 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -14.370 -26.917 -35.401 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.095 -24.245 -34.801 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -14.660 -24.851 -34.297 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -12.483 -24.903 -32.628 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -13.755 -26.104 -32.523 1.00 0.00 H new ATOM 663 N GLN A 68 -10.634 -26.994 -37.019 1.00 0.00 N ATOM 664 CA GLN A 68 -9.503 -26.551 -37.856 1.00 0.00 C ATOM 665 C GLN A 68 -9.768 -25.147 -38.446 1.00 0.00 C ATOM 666 O GLN A 68 -8.834 -24.477 -38.885 1.00 0.00 O ATOM 667 CB GLN A 68 -9.201 -27.592 -38.978 1.00 0.00 C ATOM 668 CG GLN A 68 -10.270 -27.702 -40.117 1.00 0.00 C ATOM 669 CD GLN A 68 -9.848 -27.083 -41.470 1.00 0.00 C ATOM 670 OE1 GLN A 68 -10.285 -27.534 -42.530 1.00 0.00 O ATOM 671 NE2 GLN A 68 -8.989 -26.063 -41.458 1.00 0.00 N ATOM 0 H GLN A 68 -11.120 -27.814 -37.383 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.619 -26.481 -37.222 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.241 -27.341 -39.430 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.089 -28.573 -38.516 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.505 -28.755 -40.274 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.187 -27.217 -39.783 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -8.638 -25.703 -40.571 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -8.683 -25.643 -42.336 1.00 0.00 H new ATOM 680 N ALA A 69 -11.058 -24.731 -38.439 1.00 0.00 N ATOM 681 CA ALA A 69 -11.502 -23.400 -38.894 1.00 0.00 C ATOM 682 C ALA A 69 -10.877 -22.299 -38.029 1.00 0.00 C ATOM 683 O ALA A 69 -10.413 -21.282 -38.540 1.00 0.00 O ATOM 684 CB ALA A 69 -13.042 -23.310 -38.854 1.00 0.00 C ATOM 0 H ALA A 69 -11.824 -25.320 -38.113 1.00 0.00 H new ATOM 0 HA ALA A 69 -11.171 -23.256 -39.922 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.358 -22.323 -39.192 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.468 -24.071 -39.508 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.390 -23.472 -37.834 1.00 0.00 H new ATOM 690 N ARG A 70 -10.869 -22.537 -36.710 1.00 0.00 N ATOM 691 CA ARG A 70 -10.263 -21.629 -35.727 1.00 0.00 C ATOM 692 C ARG A 70 -8.729 -21.685 -35.801 1.00 0.00 C ATOM 693 O ARG A 70 -8.061 -20.683 -35.560 1.00 0.00 O ATOM 694 CB ARG A 70 -10.779 -21.969 -34.300 1.00 0.00 C ATOM 695 CG ARG A 70 -12.271 -21.633 -34.082 1.00 0.00 C ATOM 696 CD ARG A 70 -12.543 -20.118 -34.150 1.00 0.00 C ATOM 697 NE ARG A 70 -13.987 -19.807 -34.230 1.00 0.00 N ATOM 698 CZ ARG A 70 -14.518 -18.567 -34.238 1.00 0.00 C ATOM 699 NH1 ARG A 70 -13.744 -17.493 -34.090 1.00 0.00 N ATOM 700 NH2 ARG A 70 -15.819 -18.417 -34.403 1.00 0.00 N ATOM 0 H ARG A 70 -11.285 -23.370 -36.293 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.560 -20.607 -35.962 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.624 -23.031 -34.111 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.182 -21.424 -33.568 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -12.870 -22.142 -34.837 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.589 -22.014 -33.112 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -12.119 -19.636 -33.270 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -12.035 -19.699 -35.019 1.00 0.00 H new ATOM 0 HE ARG A 70 -14.634 -20.594 -34.283 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.737 -17.603 -33.969 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -14.158 -16.561 -34.098 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -16.416 -19.236 -34.523 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -16.228 -17.483 -34.410 1.00 0.00 H new ATOM 714 N ARG A 71 -8.181 -22.866 -36.139 1.00 0.00 N ATOM 715 CA ARG A 71 -6.724 -23.056 -36.263 1.00 0.00 C ATOM 716 C ARG A 71 -6.133 -22.256 -37.445 1.00 0.00 C ATOM 717 O ARG A 71 -5.068 -21.636 -37.305 1.00 0.00 O ATOM 718 CB ARG A 71 -6.360 -24.559 -36.399 1.00 0.00 C ATOM 719 CG ARG A 71 -6.652 -25.414 -35.139 1.00 0.00 C ATOM 720 CD ARG A 71 -5.839 -26.726 -35.106 1.00 0.00 C ATOM 721 NE ARG A 71 -4.383 -26.463 -35.176 1.00 0.00 N ATOM 722 CZ ARG A 71 -3.421 -27.153 -34.548 1.00 0.00 C ATOM 723 NH1 ARG A 71 -3.699 -28.213 -33.813 1.00 0.00 N ATOM 724 NH2 ARG A 71 -2.168 -26.767 -34.667 1.00 0.00 N ATOM 0 H ARG A 71 -8.727 -23.706 -36.332 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.281 -22.672 -35.344 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.912 -24.977 -37.241 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.300 -24.642 -36.640 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.425 -24.829 -34.248 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -7.716 -25.650 -35.104 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -6.067 -27.274 -34.192 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.136 -27.361 -35.941 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.084 -25.681 -35.759 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -4.665 -28.525 -33.713 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -2.948 -28.721 -33.345 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -1.938 -25.950 -35.233 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -1.428 -27.285 -34.193 1.00 0.00 H new ATOM 738 N GLU A 72 -6.832 -22.281 -38.597 1.00 0.00 N ATOM 739 CA GLU A 72 -6.359 -21.617 -39.832 1.00 0.00 C ATOM 740 C GLU A 72 -6.612 -20.095 -39.774 1.00 0.00 C ATOM 741 O GLU A 72 -5.756 -19.296 -40.186 1.00 0.00 O ATOM 742 CB GLU A 72 -7.018 -22.237 -41.103 1.00 0.00 C ATOM 743 CG GLU A 72 -8.560 -22.128 -41.178 1.00 0.00 C ATOM 744 CD GLU A 72 -9.138 -22.478 -42.562 1.00 0.00 C ATOM 745 OE1 GLU A 72 -9.136 -21.600 -43.446 1.00 0.00 O ATOM 746 OE2 GLU A 72 -9.584 -23.621 -42.778 1.00 0.00 O ATOM 0 H GLU A 72 -7.729 -22.755 -38.700 1.00 0.00 H new ATOM 0 HA GLU A 72 -5.284 -21.783 -39.900 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.594 -21.753 -41.983 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.743 -23.290 -41.156 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.999 -22.791 -40.432 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.857 -21.112 -40.916 1.00 0.00 H new ATOM 753 N ALA A 73 -7.789 -19.708 -39.247 1.00 0.00 N ATOM 754 CA ALA A 73 -8.217 -18.296 -39.164 1.00 0.00 C ATOM 755 C ALA A 73 -7.459 -17.544 -38.064 1.00 0.00 C ATOM 756 O ALA A 73 -7.290 -16.320 -38.131 1.00 0.00 O ATOM 757 CB ALA A 73 -9.729 -18.217 -38.898 1.00 0.00 C ATOM 0 H ALA A 73 -8.471 -20.364 -38.866 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.989 -17.823 -40.119 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -10.034 -17.172 -38.839 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -10.267 -18.707 -39.710 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.959 -18.716 -37.957 1.00 0.00 H new ATOM 763 N ILE A 74 -7.051 -18.293 -37.017 1.00 0.00 N ATOM 764 CA ILE A 74 -6.352 -17.747 -35.843 1.00 0.00 C ATOM 765 C ILE A 74 -5.107 -18.622 -35.564 1.00 0.00 C ATOM 766 O ILE A 74 -5.222 -19.645 -34.884 1.00 0.00 O ATOM 767 CB ILE A 74 -7.300 -17.724 -34.578 1.00 0.00 C ATOM 768 CG1 ILE A 74 -8.689 -17.104 -34.940 1.00 0.00 C ATOM 769 CG2 ILE A 74 -6.636 -16.983 -33.389 1.00 0.00 C ATOM 770 CD1 ILE A 74 -9.722 -17.178 -33.846 1.00 0.00 C ATOM 0 H ILE A 74 -7.201 -19.301 -36.966 1.00 0.00 H new ATOM 0 HA ILE A 74 -6.051 -16.719 -36.047 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.467 -18.753 -34.261 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.544 -16.059 -35.212 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.078 -17.612 -35.822 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.313 -16.985 -32.535 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.709 -17.488 -33.118 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.418 -15.955 -33.677 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -10.651 -16.723 -34.191 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -9.903 -18.221 -33.587 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -9.361 -16.643 -32.968 1.00 0.00 H new ATOM 782 N PRO A 75 -3.915 -18.266 -36.151 1.00 0.00 N ATOM 783 CA PRO A 75 -2.646 -19.011 -35.941 1.00 0.00 C ATOM 784 C PRO A 75 -2.100 -18.819 -34.500 1.00 0.00 C ATOM 785 O PRO A 75 -1.198 -18.009 -34.246 1.00 0.00 O ATOM 786 CB PRO A 75 -1.706 -18.416 -37.027 1.00 0.00 C ATOM 787 CG PRO A 75 -2.223 -17.027 -37.256 1.00 0.00 C ATOM 788 CD PRO A 75 -3.724 -17.119 -37.087 1.00 0.00 C ATOM 0 HA PRO A 75 -2.756 -20.091 -36.035 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.670 -18.402 -36.690 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.736 -19.006 -37.943 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -1.790 -16.325 -36.543 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.962 -16.671 -38.252 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.136 -16.197 -36.677 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.223 -17.295 -38.040 1.00 0.00 H new ATOM 796 N GLY A 76 -2.707 -19.559 -33.567 1.00 0.00 N ATOM 797 CA GLY A 76 -2.415 -19.460 -32.135 1.00 0.00 C ATOM 798 C GLY A 76 -3.695 -19.351 -31.314 1.00 0.00 C ATOM 799 O GLY A 76 -3.722 -18.676 -30.274 1.00 0.00 O ATOM 0 H GLY A 76 -3.423 -20.251 -33.788 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.849 -20.335 -31.816 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.786 -18.589 -31.949 1.00 0.00 H new ATOM 803 N VAL A 77 -4.764 -20.028 -31.790 1.00 0.00 N ATOM 804 CA VAL A 77 -6.061 -20.062 -31.096 1.00 0.00 C ATOM 805 C VAL A 77 -5.952 -20.930 -29.830 1.00 0.00 C ATOM 806 O VAL A 77 -5.216 -21.919 -29.811 1.00 0.00 O ATOM 807 CB VAL A 77 -7.218 -20.591 -32.036 1.00 0.00 C ATOM 808 CG1 VAL A 77 -7.009 -22.066 -32.457 1.00 0.00 C ATOM 809 CG2 VAL A 77 -8.611 -20.387 -31.389 1.00 0.00 C ATOM 0 H VAL A 77 -4.748 -20.561 -32.660 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.318 -19.042 -30.812 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.178 -19.992 -32.946 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.830 -22.380 -33.101 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.067 -22.160 -32.998 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.982 -22.698 -31.569 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -9.383 -20.761 -32.061 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.657 -20.931 -30.445 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.774 -19.325 -31.204 1.00 0.00 H new ATOM 819 N ARG A 78 -6.669 -20.519 -28.772 1.00 0.00 N ATOM 820 CA ARG A 78 -6.712 -21.222 -27.472 1.00 0.00 C ATOM 821 C ARG A 78 -8.156 -21.298 -26.929 1.00 0.00 C ATOM 822 O ARG A 78 -8.394 -21.728 -25.799 1.00 0.00 O ATOM 823 CB ARG A 78 -5.691 -20.592 -26.455 1.00 0.00 C ATOM 824 CG ARG A 78 -5.246 -19.131 -26.744 1.00 0.00 C ATOM 825 CD ARG A 78 -6.355 -18.092 -26.519 1.00 0.00 C ATOM 826 NE ARG A 78 -6.725 -17.995 -25.090 1.00 0.00 N ATOM 827 CZ ARG A 78 -7.240 -16.924 -24.477 1.00 0.00 C ATOM 828 NH1 ARG A 78 -7.480 -15.805 -25.139 1.00 0.00 N ATOM 829 NH2 ARG A 78 -7.510 -16.979 -23.186 1.00 0.00 N ATOM 0 H ARG A 78 -7.245 -19.677 -28.792 1.00 0.00 H new ATOM 0 HA ARG A 78 -6.392 -22.253 -27.620 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.135 -20.624 -25.460 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -4.802 -21.222 -26.428 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.396 -18.886 -26.106 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.900 -19.063 -27.776 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -6.020 -17.118 -26.876 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -7.233 -18.362 -27.106 1.00 0.00 H new ATOM 0 HE ARG A 78 -6.573 -18.825 -24.517 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -7.272 -15.748 -26.136 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -7.873 -14.999 -24.653 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -7.326 -17.835 -22.662 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -7.903 -16.166 -22.712 1.00 0.00 H new ATOM 843 N LEU A 79 -9.128 -20.936 -27.783 1.00 0.00 N ATOM 844 CA LEU A 79 -10.561 -20.881 -27.420 1.00 0.00 C ATOM 845 C LEU A 79 -11.404 -21.618 -28.474 1.00 0.00 C ATOM 846 O LEU A 79 -11.194 -21.426 -29.675 1.00 0.00 O ATOM 847 CB LEU A 79 -11.012 -19.401 -27.329 1.00 0.00 C ATOM 848 CG LEU A 79 -10.217 -18.523 -26.316 1.00 0.00 C ATOM 849 CD1 LEU A 79 -10.466 -17.026 -26.564 1.00 0.00 C ATOM 850 CD2 LEU A 79 -10.548 -18.918 -24.859 1.00 0.00 C ATOM 0 H LEU A 79 -8.944 -20.671 -28.751 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.704 -21.366 -26.455 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -10.928 -18.951 -28.318 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -12.067 -19.376 -27.056 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.155 -18.708 -26.474 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.899 -16.438 -25.842 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -10.148 -16.767 -27.574 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.529 -16.810 -26.452 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.979 -18.290 -24.174 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.614 -18.780 -24.678 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -10.284 -19.963 -24.696 1.00 0.00 H new ATOM 862 N CYS A 80 -12.360 -22.467 -28.021 1.00 0.00 N ATOM 863 CA CYS A 80 -13.317 -23.156 -28.929 1.00 0.00 C ATOM 864 C CYS A 80 -14.270 -22.119 -29.524 1.00 0.00 C ATOM 865 O CYS A 80 -14.380 -21.044 -28.961 1.00 0.00 O ATOM 866 CB CYS A 80 -14.095 -24.263 -28.174 1.00 0.00 C ATOM 867 SG CYS A 80 -15.224 -23.671 -26.876 1.00 0.00 S ATOM 0 H CYS A 80 -12.490 -22.692 -27.035 1.00 0.00 H new ATOM 0 HA CYS A 80 -12.768 -23.642 -29.735 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -14.671 -24.838 -28.899 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -13.376 -24.947 -27.723 1.00 0.00 H new ATOM 0 HG CYS A 80 -14.649 -22.720 -26.202 1.00 0.00 H new ATOM 872 N ILE A 81 -14.970 -22.454 -30.630 1.00 0.00 N ATOM 873 CA ILE A 81 -15.833 -21.497 -31.387 1.00 0.00 C ATOM 874 C ILE A 81 -16.833 -20.751 -30.456 1.00 0.00 C ATOM 875 O ILE A 81 -17.116 -19.565 -30.655 1.00 0.00 O ATOM 876 CB ILE A 81 -16.613 -22.237 -32.554 1.00 0.00 C ATOM 877 CG1 ILE A 81 -17.564 -21.248 -33.320 1.00 0.00 C ATOM 878 CG2 ILE A 81 -17.374 -23.488 -32.034 1.00 0.00 C ATOM 879 CD1 ILE A 81 -18.353 -21.852 -34.472 1.00 0.00 C ATOM 0 H ILE A 81 -14.958 -23.392 -31.029 1.00 0.00 H new ATOM 0 HA ILE A 81 -15.171 -20.751 -31.826 1.00 0.00 H new ATOM 0 HB ILE A 81 -15.872 -22.594 -33.269 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -18.268 -20.823 -32.605 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -16.965 -20.423 -33.707 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -17.895 -23.967 -32.863 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -16.664 -24.190 -31.597 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -18.097 -23.185 -31.277 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -18.976 -21.083 -34.929 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -17.663 -22.250 -35.216 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -18.986 -22.656 -34.097 1.00 0.00 H new ATOM 891 N HIS A 82 -17.264 -21.453 -29.392 1.00 0.00 N ATOM 892 CA HIS A 82 -18.217 -20.941 -28.383 1.00 0.00 C ATOM 893 C HIS A 82 -17.564 -19.835 -27.521 1.00 0.00 C ATOM 894 O HIS A 82 -18.150 -18.765 -27.320 1.00 0.00 O ATOM 895 CB HIS A 82 -18.717 -22.107 -27.477 1.00 0.00 C ATOM 896 CG HIS A 82 -19.144 -23.334 -28.236 1.00 0.00 C ATOM 897 ND1 HIS A 82 -20.375 -23.459 -28.831 1.00 0.00 N ATOM 898 CD2 HIS A 82 -18.479 -24.485 -28.513 1.00 0.00 C ATOM 899 CE1 HIS A 82 -20.453 -24.621 -29.444 1.00 0.00 C ATOM 900 NE2 HIS A 82 -19.317 -25.264 -29.266 1.00 0.00 N ATOM 0 H HIS A 82 -16.957 -22.407 -29.204 1.00 0.00 H new ATOM 0 HA HIS A 82 -19.070 -20.507 -28.905 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -17.922 -22.380 -26.783 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -19.556 -21.753 -26.878 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -17.477 -24.739 -28.199 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -21.304 -24.986 -29.999 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -19.097 -26.191 -29.630 1.00 0.00 H new ATOM 909 N CYS A 83 -16.327 -20.102 -27.036 1.00 0.00 N ATOM 910 CA CYS A 83 -15.544 -19.116 -26.257 1.00 0.00 C ATOM 911 C CYS A 83 -14.965 -18.028 -27.169 1.00 0.00 C ATOM 912 O CYS A 83 -14.790 -16.907 -26.745 1.00 0.00 O ATOM 913 CB CYS A 83 -14.370 -19.774 -25.485 1.00 0.00 C ATOM 914 SG CYS A 83 -14.849 -20.977 -24.231 1.00 0.00 S ATOM 0 H CYS A 83 -15.851 -20.994 -27.172 1.00 0.00 H new ATOM 0 HA CYS A 83 -16.240 -18.679 -25.541 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -13.714 -20.265 -26.204 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -13.786 -18.988 -25.006 1.00 0.00 H new ATOM 0 HG CYS A 83 -14.090 -22.028 -24.325 1.00 0.00 H new ATOM 919 N GLN A 84 -14.677 -18.352 -28.433 1.00 0.00 N ATOM 920 CA GLN A 84 -13.902 -17.454 -29.294 1.00 0.00 C ATOM 921 C GLN A 84 -14.800 -16.301 -29.780 1.00 0.00 C ATOM 922 O GLN A 84 -14.387 -15.149 -29.731 1.00 0.00 O ATOM 923 CB GLN A 84 -13.244 -18.222 -30.487 1.00 0.00 C ATOM 924 CG GLN A 84 -11.848 -17.692 -30.916 1.00 0.00 C ATOM 925 CD GLN A 84 -11.793 -16.170 -31.135 1.00 0.00 C ATOM 926 OE1 GLN A 84 -12.091 -15.680 -32.213 1.00 0.00 O ATOM 927 NE2 GLN A 84 -11.400 -15.418 -30.105 1.00 0.00 N ATOM 0 H GLN A 84 -14.966 -19.222 -28.880 1.00 0.00 H new ATOM 0 HA GLN A 84 -13.082 -17.033 -28.712 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -13.150 -19.273 -30.215 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -13.914 -18.174 -31.345 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -11.118 -17.965 -30.154 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.549 -18.192 -31.837 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -11.158 -15.857 -29.217 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.342 -14.405 -30.206 1.00 0.00 H new