USER MOD reduce.3.24.130724 H: found=0, std=0, add=320, rem=0, adj=8 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= -0.221 USER MOD Set 1.2: A 62 CYS SG : rot -46:sc= -2.55! USER MOD Set 1.3: A 80 CYS SG : rot -125:sc= 0.288 USER MOD Set 1.4: A 82 HIS : no HD1:sc= -0.0255 X(o=-2.4,f=-2.4) USER MOD Set 1.5: A 83 CYS SG : rot 81:sc= 0.112 USER MOD Single : A 38 THR OG1 : rot 31:sc= 0.263 USER MOD Single : A 55 SER OG : rot 174:sc= 0.869 USER MOD Single : A 68 GLN :FLIP amide:sc= -0.0199 F(o=-0.75,f=-0.02) USER MOD Single : A 84 GLN :FLIP amide:sc= -0.0992 F(o=-1.5!,f=-0.099) USER MOD ----------------------------------------------------------------- ATOM 234 N THR A 38 14.996 -14.017 -33.373 1.00 0.00 N ATOM 235 CA THR A 38 16.284 -14.597 -33.772 1.00 0.00 C ATOM 236 C THR A 38 16.565 -15.885 -32.973 1.00 0.00 C ATOM 237 O THR A 38 17.146 -16.850 -33.498 1.00 0.00 O ATOM 238 CB THR A 38 17.441 -13.573 -33.542 1.00 0.00 C ATOM 239 OG1 THR A 38 17.058 -12.293 -34.066 1.00 0.00 O ATOM 240 CG2 THR A 38 18.760 -14.018 -34.202 1.00 0.00 C ATOM 0 HA THR A 38 16.233 -14.841 -34.833 1.00 0.00 H new ATOM 0 HB THR A 38 17.614 -13.513 -32.467 1.00 0.00 H new ATOM 0 HG1 THR A 38 16.086 -12.187 -33.994 1.00 0.00 H new ATOM 0 HG21 THR A 38 19.532 -13.272 -34.012 1.00 0.00 H new ATOM 0 HG22 THR A 38 19.071 -14.976 -33.784 1.00 0.00 H new ATOM 0 HG23 THR A 38 18.612 -14.122 -35.277 1.00 0.00 H new ATOM 248 N ILE A 39 16.112 -15.882 -31.701 1.00 0.00 N ATOM 249 CA ILE A 39 16.368 -16.967 -30.733 1.00 0.00 C ATOM 250 C ILE A 39 15.796 -18.305 -31.241 1.00 0.00 C ATOM 251 O ILE A 39 16.460 -19.346 -31.162 1.00 0.00 O ATOM 252 CB ILE A 39 15.741 -16.630 -29.323 1.00 0.00 C ATOM 253 CG1 ILE A 39 16.249 -15.244 -28.799 1.00 0.00 C ATOM 254 CG2 ILE A 39 16.007 -17.756 -28.286 1.00 0.00 C ATOM 255 CD1 ILE A 39 17.765 -15.104 -28.713 1.00 0.00 C ATOM 0 H ILE A 39 15.554 -15.120 -31.315 1.00 0.00 H new ATOM 0 HA ILE A 39 17.449 -17.059 -30.627 1.00 0.00 H new ATOM 0 HB ILE A 39 14.661 -16.566 -29.455 1.00 0.00 H new ATOM 0 HG12 ILE A 39 15.863 -14.462 -29.453 1.00 0.00 H new ATOM 0 HG13 ILE A 39 15.826 -15.069 -27.810 1.00 0.00 H new ATOM 0 HG21 ILE A 39 15.559 -17.484 -27.330 1.00 0.00 H new ATOM 0 HG22 ILE A 39 15.567 -18.688 -28.640 1.00 0.00 H new ATOM 0 HG23 ILE A 39 17.082 -17.887 -28.159 1.00 0.00 H new ATOM 0 HD11 ILE A 39 18.018 -14.111 -28.340 1.00 0.00 H new ATOM 0 HD12 ILE A 39 18.162 -15.859 -28.034 1.00 0.00 H new ATOM 0 HD13 ILE A 39 18.200 -15.242 -29.703 1.00 0.00 H new ATOM 267 N GLU A 40 14.582 -18.224 -31.823 1.00 0.00 N ATOM 268 CA GLU A 40 13.800 -19.402 -32.230 1.00 0.00 C ATOM 269 C GLU A 40 14.536 -20.226 -33.301 1.00 0.00 C ATOM 270 O GLU A 40 14.442 -21.442 -33.305 1.00 0.00 O ATOM 271 CB GLU A 40 12.399 -18.983 -32.746 1.00 0.00 C ATOM 272 CG GLU A 40 12.408 -18.143 -34.040 1.00 0.00 C ATOM 273 CD GLU A 40 11.012 -17.932 -34.644 1.00 0.00 C ATOM 274 OE1 GLU A 40 10.256 -17.078 -34.138 1.00 0.00 O ATOM 275 OE2 GLU A 40 10.665 -18.632 -35.624 1.00 0.00 O ATOM 0 H GLU A 40 14.119 -17.338 -32.023 1.00 0.00 H new ATOM 0 HA GLU A 40 13.675 -20.030 -31.348 1.00 0.00 H new ATOM 0 HB2 GLU A 40 11.807 -19.882 -32.918 1.00 0.00 H new ATOM 0 HB3 GLU A 40 11.895 -18.414 -31.964 1.00 0.00 H new ATOM 0 HG2 GLU A 40 12.855 -17.171 -33.830 1.00 0.00 H new ATOM 0 HG3 GLU A 40 13.044 -18.633 -34.777 1.00 0.00 H new ATOM 282 N ASP A 41 15.298 -19.533 -34.175 1.00 0.00 N ATOM 283 CA ASP A 41 16.029 -20.151 -35.301 1.00 0.00 C ATOM 284 C ASP A 41 17.135 -21.085 -34.795 1.00 0.00 C ATOM 285 O ASP A 41 17.250 -22.220 -35.259 1.00 0.00 O ATOM 286 CB ASP A 41 16.637 -19.054 -36.214 1.00 0.00 C ATOM 287 CG ASP A 41 17.466 -19.602 -37.402 1.00 0.00 C ATOM 288 OD1 ASP A 41 16.879 -19.906 -38.462 1.00 0.00 O ATOM 289 OD2 ASP A 41 18.712 -19.727 -37.287 1.00 0.00 O ATOM 0 H ASP A 41 15.423 -18.522 -34.118 1.00 0.00 H new ATOM 0 HA ASP A 41 15.319 -20.743 -35.879 1.00 0.00 H new ATOM 0 HB2 ASP A 41 15.830 -18.434 -36.604 1.00 0.00 H new ATOM 0 HB3 ASP A 41 17.273 -18.406 -35.610 1.00 0.00 H new ATOM 294 N ALA A 42 17.938 -20.581 -33.840 1.00 0.00 N ATOM 295 CA ALA A 42 19.068 -21.328 -33.252 1.00 0.00 C ATOM 296 C ALA A 42 18.584 -22.610 -32.555 1.00 0.00 C ATOM 297 O ALA A 42 19.179 -23.683 -32.710 1.00 0.00 O ATOM 298 CB ALA A 42 19.843 -20.427 -32.274 1.00 0.00 C ATOM 0 H ALA A 42 17.823 -19.644 -33.453 1.00 0.00 H new ATOM 0 HA ALA A 42 19.740 -21.628 -34.056 1.00 0.00 H new ATOM 0 HB1 ALA A 42 20.675 -20.986 -31.845 1.00 0.00 H new ATOM 0 HB2 ALA A 42 20.227 -19.557 -32.807 1.00 0.00 H new ATOM 0 HB3 ALA A 42 19.177 -20.099 -31.476 1.00 0.00 H new ATOM 304 N ILE A 43 17.467 -22.481 -31.827 1.00 0.00 N ATOM 305 CA ILE A 43 16.873 -23.587 -31.059 1.00 0.00 C ATOM 306 C ILE A 43 16.160 -24.594 -32.007 1.00 0.00 C ATOM 307 O ILE A 43 16.200 -25.810 -31.783 1.00 0.00 O ATOM 308 CB ILE A 43 15.863 -23.027 -29.980 1.00 0.00 C ATOM 309 CG1 ILE A 43 16.523 -21.897 -29.113 1.00 0.00 C ATOM 310 CG2 ILE A 43 15.319 -24.160 -29.075 1.00 0.00 C ATOM 311 CD1 ILE A 43 17.744 -22.320 -28.306 1.00 0.00 C ATOM 0 H ILE A 43 16.948 -21.606 -31.753 1.00 0.00 H new ATOM 0 HA ILE A 43 17.673 -24.116 -30.542 1.00 0.00 H new ATOM 0 HB ILE A 43 15.022 -22.592 -30.519 1.00 0.00 H new ATOM 0 HG12 ILE A 43 16.811 -21.078 -29.772 1.00 0.00 H new ATOM 0 HG13 ILE A 43 15.773 -21.505 -28.426 1.00 0.00 H new ATOM 0 HG21 ILE A 43 14.627 -23.741 -28.344 1.00 0.00 H new ATOM 0 HG22 ILE A 43 14.798 -24.896 -29.687 1.00 0.00 H new ATOM 0 HG23 ILE A 43 16.148 -24.641 -28.556 1.00 0.00 H new ATOM 0 HD11 ILE A 43 18.122 -21.466 -27.744 1.00 0.00 H new ATOM 0 HD12 ILE A 43 17.465 -23.115 -27.614 1.00 0.00 H new ATOM 0 HD13 ILE A 43 18.519 -22.682 -28.982 1.00 0.00 H new ATOM 323 N ALA A 44 15.550 -24.068 -33.092 1.00 0.00 N ATOM 324 CA ALA A 44 14.761 -24.872 -34.046 1.00 0.00 C ATOM 325 C ALA A 44 15.671 -25.773 -34.890 1.00 0.00 C ATOM 326 O ALA A 44 15.457 -26.984 -34.972 1.00 0.00 O ATOM 327 CB ALA A 44 13.899 -23.969 -34.946 1.00 0.00 C ATOM 0 H ALA A 44 15.592 -23.077 -33.329 1.00 0.00 H new ATOM 0 HA ALA A 44 14.093 -25.512 -33.470 1.00 0.00 H new ATOM 0 HB1 ALA A 44 13.328 -24.586 -35.640 1.00 0.00 H new ATOM 0 HB2 ALA A 44 13.214 -23.387 -34.329 1.00 0.00 H new ATOM 0 HB3 ALA A 44 14.544 -23.293 -35.508 1.00 0.00 H new ATOM 333 N ARG A 45 16.713 -25.169 -35.484 1.00 0.00 N ATOM 334 CA ARG A 45 17.664 -25.880 -36.365 1.00 0.00 C ATOM 335 C ARG A 45 18.417 -26.983 -35.591 1.00 0.00 C ATOM 336 O ARG A 45 18.818 -27.994 -36.170 1.00 0.00 O ATOM 337 CB ARG A 45 18.663 -24.880 -37.014 1.00 0.00 C ATOM 338 CG ARG A 45 19.702 -24.273 -36.047 1.00 0.00 C ATOM 339 CD ARG A 45 20.598 -23.216 -36.711 1.00 0.00 C ATOM 340 NE ARG A 45 21.711 -22.808 -35.833 1.00 0.00 N ATOM 341 CZ ARG A 45 22.024 -21.546 -35.490 1.00 0.00 C ATOM 342 NH1 ARG A 45 21.252 -20.524 -35.850 1.00 0.00 N ATOM 343 NH2 ARG A 45 23.100 -21.316 -34.756 1.00 0.00 N ATOM 0 H ARG A 45 16.923 -24.177 -35.370 1.00 0.00 H new ATOM 0 HA ARG A 45 17.094 -26.359 -37.161 1.00 0.00 H new ATOM 0 HB2 ARG A 45 19.193 -25.390 -37.819 1.00 0.00 H new ATOM 0 HB3 ARG A 45 18.096 -24.068 -37.470 1.00 0.00 H new ATOM 0 HG2 ARG A 45 19.183 -23.821 -35.202 1.00 0.00 H new ATOM 0 HG3 ARG A 45 20.327 -25.071 -35.647 1.00 0.00 H new ATOM 0 HD2 ARG A 45 20.998 -23.614 -37.644 1.00 0.00 H new ATOM 0 HD3 ARG A 45 19.999 -22.342 -36.968 1.00 0.00 H new ATOM 0 HE ARG A 45 22.297 -23.551 -35.451 1.00 0.00 H new ATOM 0 HH11 ARG A 45 20.406 -20.691 -36.395 1.00 0.00 H new ATOM 0 HH12 ARG A 45 21.506 -19.574 -35.580 1.00 0.00 H new ATOM 0 HH21 ARG A 45 23.687 -22.094 -34.454 1.00 0.00 H new ATOM 0 HH22 ARG A 45 23.343 -20.361 -34.492 1.00 0.00 H new ATOM 357 N ALA A 46 18.567 -26.773 -34.266 1.00 0.00 N ATOM 358 CA ALA A 46 19.235 -27.720 -33.372 1.00 0.00 C ATOM 359 C ALA A 46 18.285 -28.873 -32.987 1.00 0.00 C ATOM 360 O ALA A 46 18.360 -29.958 -33.574 1.00 0.00 O ATOM 361 CB ALA A 46 19.768 -26.982 -32.129 1.00 0.00 C ATOM 0 H ALA A 46 18.224 -25.937 -33.793 1.00 0.00 H new ATOM 0 HA ALA A 46 20.084 -28.163 -33.893 1.00 0.00 H new ATOM 0 HB1 ALA A 46 20.264 -27.693 -31.468 1.00 0.00 H new ATOM 0 HB2 ALA A 46 20.480 -26.216 -32.438 1.00 0.00 H new ATOM 0 HB3 ALA A 46 18.938 -26.513 -31.600 1.00 0.00 H new ATOM 367 N ARG A 47 17.347 -28.613 -32.046 1.00 0.00 N ATOM 368 CA ARG A 47 16.502 -29.669 -31.419 1.00 0.00 C ATOM 369 C ARG A 47 15.071 -29.740 -32.000 1.00 0.00 C ATOM 370 O ARG A 47 14.365 -30.726 -31.762 1.00 0.00 O ATOM 371 CB ARG A 47 16.482 -29.485 -29.858 1.00 0.00 C ATOM 372 CG ARG A 47 16.117 -28.066 -29.315 1.00 0.00 C ATOM 373 CD ARG A 47 14.613 -27.726 -29.352 1.00 0.00 C ATOM 374 NE ARG A 47 13.802 -28.702 -28.606 1.00 0.00 N ATOM 375 CZ ARG A 47 12.550 -28.502 -28.168 1.00 0.00 C ATOM 376 NH1 ARG A 47 11.926 -27.340 -28.342 1.00 0.00 N ATOM 377 NH2 ARG A 47 11.926 -29.476 -27.532 1.00 0.00 N ATOM 0 H ARG A 47 17.152 -27.674 -31.699 1.00 0.00 H new ATOM 0 HA ARG A 47 16.959 -30.628 -31.661 1.00 0.00 H new ATOM 0 HB2 ARG A 47 15.772 -30.200 -29.442 1.00 0.00 H new ATOM 0 HB3 ARG A 47 17.466 -29.752 -29.473 1.00 0.00 H new ATOM 0 HG2 ARG A 47 16.468 -27.985 -28.286 1.00 0.00 H new ATOM 0 HG3 ARG A 47 16.658 -27.320 -29.897 1.00 0.00 H new ATOM 0 HD2 ARG A 47 14.457 -26.732 -28.934 1.00 0.00 H new ATOM 0 HD3 ARG A 47 14.276 -27.692 -30.388 1.00 0.00 H new ATOM 0 HE ARG A 47 14.228 -29.607 -28.405 1.00 0.00 H new ATOM 0 HH11 ARG A 47 12.400 -26.573 -28.819 1.00 0.00 H new ATOM 0 HH12 ARG A 47 10.974 -27.216 -27.998 1.00 0.00 H new ATOM 0 HH21 ARG A 47 12.396 -30.368 -27.379 1.00 0.00 H new ATOM 0 HH22 ARG A 47 10.974 -29.336 -27.194 1.00 0.00 H new ATOM 391 N GLY A 48 14.652 -28.704 -32.745 1.00 0.00 N ATOM 392 CA GLY A 48 13.276 -28.612 -33.257 1.00 0.00 C ATOM 393 C GLY A 48 12.353 -27.951 -32.238 1.00 0.00 C ATOM 394 O GLY A 48 11.796 -28.629 -31.371 1.00 0.00 O ATOM 0 H GLY A 48 15.248 -27.918 -33.006 1.00 0.00 H new ATOM 0 HA2 GLY A 48 13.268 -28.040 -34.185 1.00 0.00 H new ATOM 0 HA3 GLY A 48 12.906 -29.609 -33.494 1.00 0.00 H new ATOM 398 N GLU A 49 12.212 -26.621 -32.336 1.00 0.00 N ATOM 399 CA GLU A 49 11.455 -25.807 -31.368 1.00 0.00 C ATOM 400 C GLU A 49 10.049 -25.510 -31.907 1.00 0.00 C ATOM 401 O GLU A 49 9.047 -25.993 -31.355 1.00 0.00 O ATOM 402 CB GLU A 49 12.211 -24.477 -31.074 1.00 0.00 C ATOM 403 CG GLU A 49 11.490 -23.507 -30.109 1.00 0.00 C ATOM 404 CD GLU A 49 11.273 -24.079 -28.693 1.00 0.00 C ATOM 405 OE1 GLU A 49 10.228 -24.725 -28.439 1.00 0.00 O ATOM 406 OE2 GLU A 49 12.144 -23.885 -27.827 1.00 0.00 O ATOM 0 H GLU A 49 12.622 -26.074 -33.093 1.00 0.00 H new ATOM 0 HA GLU A 49 11.361 -26.369 -30.439 1.00 0.00 H new ATOM 0 HB2 GLU A 49 13.189 -24.718 -30.657 1.00 0.00 H new ATOM 0 HB3 GLU A 49 12.386 -23.961 -32.018 1.00 0.00 H new ATOM 0 HG2 GLU A 49 12.070 -22.587 -30.034 1.00 0.00 H new ATOM 0 HG3 GLU A 49 10.523 -23.240 -30.534 1.00 0.00 H new ATOM 413 N ILE A 50 10.009 -24.724 -33.006 1.00 0.00 N ATOM 414 CA ILE A 50 8.761 -24.211 -33.597 1.00 0.00 C ATOM 415 C ILE A 50 7.874 -25.372 -34.097 1.00 0.00 C ATOM 416 O ILE A 50 8.345 -26.207 -34.886 1.00 0.00 O ATOM 417 CB ILE A 50 9.048 -23.191 -34.770 1.00 0.00 C ATOM 418 CG1 ILE A 50 9.856 -21.960 -34.241 1.00 0.00 C ATOM 419 CG2 ILE A 50 7.736 -22.743 -35.486 1.00 0.00 C ATOM 420 CD1 ILE A 50 9.155 -21.150 -33.147 1.00 0.00 C ATOM 0 H ILE A 50 10.847 -24.429 -33.507 1.00 0.00 H new ATOM 0 HA ILE A 50 8.225 -23.675 -32.814 1.00 0.00 H new ATOM 0 HB ILE A 50 9.655 -23.705 -35.515 1.00 0.00 H new ATOM 0 HG12 ILE A 50 10.813 -22.311 -33.856 1.00 0.00 H new ATOM 0 HG13 ILE A 50 10.073 -21.299 -35.080 1.00 0.00 H new ATOM 0 HG21 ILE A 50 7.979 -22.043 -36.285 1.00 0.00 H new ATOM 0 HG22 ILE A 50 7.235 -23.615 -35.907 1.00 0.00 H new ATOM 0 HG23 ILE A 50 7.076 -22.258 -34.766 1.00 0.00 H new ATOM 0 HD11 ILE A 50 9.792 -20.319 -32.845 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.210 -20.763 -33.529 1.00 0.00 H new ATOM 0 HD13 ILE A 50 8.963 -21.791 -32.287 1.00 0.00 H new ATOM 492 N SER A 55 -1.601 -23.052 -32.875 1.00 0.00 N ATOM 493 CA SER A 55 -3.014 -23.373 -32.685 1.00 0.00 C ATOM 494 C SER A 55 -3.190 -24.773 -32.066 1.00 0.00 C ATOM 495 O SER A 55 -2.845 -25.782 -32.690 1.00 0.00 O ATOM 496 CB SER A 55 -3.713 -23.297 -34.054 1.00 0.00 C ATOM 497 OG SER A 55 -3.622 -21.990 -34.605 1.00 0.00 O ATOM 0 HA SER A 55 -3.460 -22.658 -31.994 1.00 0.00 H new ATOM 0 HB2 SER A 55 -3.260 -24.015 -34.737 1.00 0.00 H new ATOM 0 HB3 SER A 55 -4.761 -23.577 -33.946 1.00 0.00 H new ATOM 0 HG SER A 55 -3.992 -21.991 -35.512 1.00 0.00 H new ATOM 503 N LEU A 56 -3.708 -24.802 -30.830 1.00 0.00 N ATOM 504 CA LEU A 56 -3.940 -26.045 -30.058 1.00 0.00 C ATOM 505 C LEU A 56 -5.227 -26.769 -30.533 1.00 0.00 C ATOM 506 O LEU A 56 -5.981 -26.232 -31.350 1.00 0.00 O ATOM 507 CB LEU A 56 -3.969 -25.716 -28.515 1.00 0.00 C ATOM 508 CG LEU A 56 -4.739 -24.414 -28.079 1.00 0.00 C ATOM 509 CD1 LEU A 56 -6.252 -24.514 -28.307 1.00 0.00 C ATOM 510 CD2 LEU A 56 -4.434 -24.010 -26.618 1.00 0.00 C ATOM 0 H LEU A 56 -3.983 -23.958 -30.327 1.00 0.00 H new ATOM 0 HA LEU A 56 -3.117 -26.736 -30.237 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -4.415 -26.564 -27.996 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -2.940 -25.634 -28.166 1.00 0.00 H new ATOM 0 HG LEU A 56 -4.363 -23.624 -28.729 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -6.730 -23.588 -27.988 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.450 -24.679 -29.366 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -6.653 -25.347 -27.729 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -4.989 -23.106 -26.367 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -4.731 -24.817 -25.948 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -3.366 -23.822 -26.508 1.00 0.00 H new ATOM 522 N ASP A 57 -5.467 -27.992 -30.003 1.00 0.00 N ATOM 523 CA ASP A 57 -6.679 -28.805 -30.312 1.00 0.00 C ATOM 524 C ASP A 57 -7.612 -28.922 -29.080 1.00 0.00 C ATOM 525 O ASP A 57 -8.651 -29.602 -29.136 1.00 0.00 O ATOM 526 CB ASP A 57 -6.275 -30.217 -30.824 1.00 0.00 C ATOM 527 CG ASP A 57 -5.518 -31.062 -29.785 1.00 0.00 C ATOM 528 OD1 ASP A 57 -4.288 -30.874 -29.639 1.00 0.00 O ATOM 529 OD2 ASP A 57 -6.144 -31.904 -29.111 1.00 0.00 O ATOM 0 H ASP A 57 -4.830 -28.447 -29.349 1.00 0.00 H new ATOM 0 HA ASP A 57 -7.230 -28.292 -31.100 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -7.174 -30.753 -31.129 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -5.652 -30.107 -31.712 1.00 0.00 H new ATOM 534 N GLU A 58 -7.278 -28.183 -28.003 1.00 0.00 N ATOM 535 CA GLU A 58 -7.969 -28.258 -26.689 1.00 0.00 C ATOM 536 C GLU A 58 -8.157 -26.833 -26.128 1.00 0.00 C ATOM 537 O GLU A 58 -7.189 -26.192 -25.706 1.00 0.00 O ATOM 538 CB GLU A 58 -7.171 -29.123 -25.667 1.00 0.00 C ATOM 539 CG GLU A 58 -7.085 -30.620 -26.007 1.00 0.00 C ATOM 540 CD GLU A 58 -6.211 -31.406 -25.017 1.00 0.00 C ATOM 541 OE1 GLU A 58 -6.734 -31.845 -23.968 1.00 0.00 O ATOM 542 OE2 GLU A 58 -4.998 -31.566 -25.267 1.00 0.00 O ATOM 0 H GLU A 58 -6.513 -27.508 -28.016 1.00 0.00 H new ATOM 0 HA GLU A 58 -8.938 -28.733 -26.842 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -6.159 -28.725 -25.590 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.632 -29.015 -24.685 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.089 -31.044 -26.015 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.682 -30.737 -27.013 1.00 0.00 H new ATOM 549 N CYS A 59 -9.407 -26.355 -26.190 1.00 0.00 N ATOM 550 CA CYS A 59 -9.848 -25.051 -25.648 1.00 0.00 C ATOM 551 C CYS A 59 -9.417 -24.830 -24.188 1.00 0.00 C ATOM 552 O CYS A 59 -9.779 -25.607 -23.321 1.00 0.00 O ATOM 553 CB CYS A 59 -11.379 -24.998 -25.760 1.00 0.00 C ATOM 554 SG CYS A 59 -12.179 -23.522 -25.066 1.00 0.00 S ATOM 0 H CYS A 59 -10.166 -26.876 -26.630 1.00 0.00 H new ATOM 0 HA CYS A 59 -9.375 -24.256 -26.224 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -11.649 -25.072 -26.813 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -11.790 -25.877 -25.264 1.00 0.00 H new ATOM 0 HG CYS A 59 -13.302 -23.306 -25.684 1.00 0.00 H new ATOM 559 N GLU A 60 -8.670 -23.737 -23.930 1.00 0.00 N ATOM 560 CA GLU A 60 -8.164 -23.398 -22.573 1.00 0.00 C ATOM 561 C GLU A 60 -9.309 -23.114 -21.554 1.00 0.00 C ATOM 562 O GLU A 60 -9.079 -23.096 -20.348 1.00 0.00 O ATOM 563 CB GLU A 60 -7.200 -22.179 -22.653 1.00 0.00 C ATOM 564 CG GLU A 60 -7.810 -20.925 -23.329 1.00 0.00 C ATOM 565 CD GLU A 60 -7.006 -19.626 -23.112 1.00 0.00 C ATOM 566 OE1 GLU A 60 -5.782 -19.620 -23.349 1.00 0.00 O ATOM 567 OE2 GLU A 60 -7.592 -18.610 -22.680 1.00 0.00 O ATOM 0 H GLU A 60 -8.399 -23.065 -24.648 1.00 0.00 H new ATOM 0 HA GLU A 60 -7.625 -24.271 -22.206 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.883 -21.915 -21.644 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -6.305 -22.474 -23.202 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -7.895 -21.110 -24.400 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -8.821 -20.779 -22.950 1.00 0.00 H new ATOM 574 N GLU A 61 -10.536 -22.908 -22.070 1.00 0.00 N ATOM 575 CA GLU A 61 -11.724 -22.572 -21.261 1.00 0.00 C ATOM 576 C GLU A 61 -12.414 -23.846 -20.766 1.00 0.00 C ATOM 577 O GLU A 61 -12.556 -24.077 -19.564 1.00 0.00 O ATOM 578 CB GLU A 61 -12.730 -21.773 -22.132 1.00 0.00 C ATOM 579 CG GLU A 61 -12.148 -20.518 -22.803 1.00 0.00 C ATOM 580 CD GLU A 61 -12.287 -19.222 -21.979 1.00 0.00 C ATOM 581 OE1 GLU A 61 -11.555 -19.053 -20.992 1.00 0.00 O ATOM 582 OE2 GLU A 61 -13.147 -18.376 -22.322 1.00 0.00 O ATOM 0 H GLU A 61 -10.732 -22.971 -23.069 1.00 0.00 H new ATOM 0 HA GLU A 61 -11.404 -21.978 -20.405 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -13.123 -22.433 -22.906 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -13.573 -21.476 -21.508 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -11.091 -20.690 -23.009 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -12.641 -20.375 -23.765 1.00 0.00 H new ATOM 589 N CYS A 62 -12.831 -24.675 -21.740 1.00 0.00 N ATOM 590 CA CYS A 62 -13.768 -25.788 -21.498 1.00 0.00 C ATOM 591 C CYS A 62 -13.262 -27.111 -22.109 1.00 0.00 C ATOM 592 O CYS A 62 -14.031 -28.066 -22.245 1.00 0.00 O ATOM 593 CB CYS A 62 -15.167 -25.404 -22.056 1.00 0.00 C ATOM 594 SG CYS A 62 -15.323 -25.397 -23.883 1.00 0.00 S ATOM 0 H CYS A 62 -12.530 -24.594 -22.711 1.00 0.00 H new ATOM 0 HA CYS A 62 -13.842 -25.956 -20.424 1.00 0.00 H new ATOM 0 HB2 CYS A 62 -15.902 -26.099 -21.650 1.00 0.00 H new ATOM 0 HB3 CYS A 62 -15.426 -24.413 -21.684 1.00 0.00 H new ATOM 0 HG CYS A 62 -14.304 -24.780 -24.403 1.00 0.00 H new ATOM 599 N GLY A 63 -11.953 -27.147 -22.463 1.00 0.00 N ATOM 600 CA GLY A 63 -11.284 -28.324 -23.065 1.00 0.00 C ATOM 601 C GLY A 63 -11.941 -28.859 -24.331 1.00 0.00 C ATOM 602 O GLY A 63 -11.678 -29.990 -24.738 1.00 0.00 O ATOM 0 H GLY A 63 -11.328 -26.351 -22.337 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -10.252 -28.059 -23.293 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -11.252 -29.123 -22.325 1.00 0.00 H new ATOM 606 N ALA A 64 -12.773 -28.015 -24.959 1.00 0.00 N ATOM 607 CA ALA A 64 -13.566 -28.372 -26.145 1.00 0.00 C ATOM 608 C ALA A 64 -12.672 -28.622 -27.377 1.00 0.00 C ATOM 609 O ALA A 64 -11.652 -27.934 -27.533 1.00 0.00 O ATOM 610 CB ALA A 64 -14.566 -27.249 -26.439 1.00 0.00 C ATOM 0 H ALA A 64 -12.916 -27.052 -24.653 1.00 0.00 H new ATOM 0 HA ALA A 64 -14.098 -29.300 -25.935 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -15.157 -27.509 -27.318 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -15.228 -27.118 -25.583 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -14.026 -26.321 -26.626 1.00 0.00 H new ATOM 616 N PRO A 65 -13.038 -29.604 -28.267 1.00 0.00 N ATOM 617 CA PRO A 65 -12.272 -29.893 -29.496 1.00 0.00 C ATOM 618 C PRO A 65 -12.241 -28.662 -30.425 1.00 0.00 C ATOM 619 O PRO A 65 -13.266 -28.293 -31.025 1.00 0.00 O ATOM 620 CB PRO A 65 -13.025 -31.094 -30.148 1.00 0.00 C ATOM 621 CG PRO A 65 -13.859 -31.678 -29.042 1.00 0.00 C ATOM 622 CD PRO A 65 -14.214 -30.515 -28.140 1.00 0.00 C ATOM 0 HA PRO A 65 -11.227 -30.131 -29.296 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -13.648 -30.765 -30.980 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -12.325 -31.830 -30.545 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -14.756 -32.155 -29.438 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -13.306 -32.442 -28.496 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -15.136 -30.027 -28.458 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.363 -30.837 -27.109 1.00 0.00 H new ATOM 630 N ILE A 66 -11.069 -28.003 -30.462 1.00 0.00 N ATOM 631 CA ILE A 66 -10.810 -26.842 -31.324 1.00 0.00 C ATOM 632 C ILE A 66 -10.960 -27.245 -32.804 1.00 0.00 C ATOM 633 O ILE A 66 -10.229 -28.131 -33.266 1.00 0.00 O ATOM 634 CB ILE A 66 -9.359 -26.286 -31.067 1.00 0.00 C ATOM 635 CG1 ILE A 66 -9.186 -25.866 -29.589 1.00 0.00 C ATOM 636 CG2 ILE A 66 -9.013 -25.111 -32.013 1.00 0.00 C ATOM 637 CD1 ILE A 66 -9.802 -24.549 -29.228 1.00 0.00 C ATOM 0 H ILE A 66 -10.269 -28.266 -29.887 1.00 0.00 H new ATOM 0 HA ILE A 66 -11.534 -26.061 -31.089 1.00 0.00 H new ATOM 0 HB ILE A 66 -8.660 -27.094 -31.283 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -9.620 -26.639 -28.954 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -8.121 -25.827 -29.361 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -8.004 -24.758 -31.801 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -9.070 -25.448 -33.048 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -9.722 -24.298 -31.857 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -9.627 -24.343 -28.172 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -9.353 -23.760 -29.831 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -10.875 -24.585 -29.418 1.00 0.00 H new ATOM 649 N PRO A 67 -11.926 -26.627 -33.558 1.00 0.00 N ATOM 650 CA PRO A 67 -12.129 -26.935 -34.979 1.00 0.00 C ATOM 651 C PRO A 67 -10.942 -26.429 -35.820 1.00 0.00 C ATOM 652 O PRO A 67 -10.355 -25.372 -35.516 1.00 0.00 O ATOM 653 CB PRO A 67 -13.457 -26.214 -35.329 1.00 0.00 C ATOM 654 CG PRO A 67 -13.550 -25.090 -34.346 1.00 0.00 C ATOM 655 CD PRO A 67 -12.872 -25.576 -33.084 1.00 0.00 C ATOM 0 HA PRO A 67 -12.185 -28.003 -35.188 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -13.448 -25.844 -36.354 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -14.309 -26.888 -35.241 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -13.061 -24.195 -34.731 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -14.590 -24.827 -34.153 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -12.347 -24.767 -32.577 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -13.594 -25.981 -32.375 1.00 0.00 H new ATOM 663 N GLN A 68 -10.596 -27.199 -36.868 1.00 0.00 N ATOM 664 CA GLN A 68 -9.462 -26.896 -37.763 1.00 0.00 C ATOM 665 C GLN A 68 -9.644 -25.539 -38.467 1.00 0.00 C ATOM 666 O GLN A 68 -8.664 -24.937 -38.901 1.00 0.00 O ATOM 667 CB GLN A 68 -9.264 -28.042 -38.800 1.00 0.00 C ATOM 668 CG GLN A 68 -10.433 -28.260 -39.807 1.00 0.00 C ATOM 669 CD GLN A 68 -10.160 -27.790 -41.250 1.00 0.00 C ATOM 670 OE1 GLN A 68 -9.305 -26.789 -41.443 1.00 0.00 O flip ATOM 671 NE2 GLN A 68 -10.715 -28.346 -42.193 1.00 0.00 N flip ATOM 0 H GLN A 68 -11.096 -28.052 -37.119 1.00 0.00 H new ATOM 0 HA GLN A 68 -8.563 -26.826 -37.151 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -8.355 -27.839 -39.367 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -9.100 -28.973 -38.257 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -10.678 -29.322 -39.829 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -11.314 -27.738 -39.433 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -11.367 -29.111 -42.022 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -10.524 -28.043 -43.148 1.00 0.00 H new ATOM 680 N ALA A 69 -10.911 -25.074 -38.549 1.00 0.00 N ATOM 681 CA ALA A 69 -11.274 -23.768 -39.120 1.00 0.00 C ATOM 682 C ALA A 69 -10.635 -22.634 -38.301 1.00 0.00 C ATOM 683 O ALA A 69 -10.054 -21.715 -38.861 1.00 0.00 O ATOM 684 CB ALA A 69 -12.809 -23.610 -39.178 1.00 0.00 C ATOM 0 H ALA A 69 -11.715 -25.605 -38.215 1.00 0.00 H new ATOM 0 HA ALA A 69 -10.891 -23.712 -40.139 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -13.059 -22.638 -39.603 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -13.233 -24.398 -39.801 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -13.221 -23.682 -38.171 1.00 0.00 H new ATOM 690 N ARG A 70 -10.716 -22.749 -36.962 1.00 0.00 N ATOM 691 CA ARG A 70 -10.101 -21.778 -36.034 1.00 0.00 C ATOM 692 C ARG A 70 -8.573 -21.886 -36.058 1.00 0.00 C ATOM 693 O ARG A 70 -7.882 -20.896 -35.868 1.00 0.00 O ATOM 694 CB ARG A 70 -10.637 -21.973 -34.591 1.00 0.00 C ATOM 695 CG ARG A 70 -12.152 -21.718 -34.411 1.00 0.00 C ATOM 696 CD ARG A 70 -12.602 -20.276 -34.758 1.00 0.00 C ATOM 697 NE ARG A 70 -12.666 -20.021 -36.216 1.00 0.00 N ATOM 698 CZ ARG A 70 -12.767 -18.814 -36.797 1.00 0.00 C ATOM 699 NH1 ARG A 70 -12.845 -17.704 -36.063 1.00 0.00 N ATOM 700 NH2 ARG A 70 -12.790 -18.720 -38.118 1.00 0.00 N ATOM 0 H ARG A 70 -11.206 -23.512 -36.494 1.00 0.00 H new ATOM 0 HA ARG A 70 -10.377 -20.778 -36.369 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -10.416 -22.992 -34.273 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -10.091 -21.306 -33.924 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -12.703 -22.419 -35.038 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -12.424 -21.932 -33.378 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -13.583 -20.093 -34.320 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -11.912 -19.567 -34.301 1.00 0.00 H new ATOM 0 HE ARG A 70 -12.630 -20.833 -36.833 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -12.828 -17.764 -35.045 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -12.921 -16.795 -36.519 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -12.731 -19.562 -38.690 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -12.867 -17.805 -38.563 1.00 0.00 H new ATOM 714 N ARG A 71 -8.067 -23.104 -36.286 1.00 0.00 N ATOM 715 CA ARG A 71 -6.621 -23.375 -36.287 1.00 0.00 C ATOM 716 C ARG A 71 -5.925 -22.772 -37.526 1.00 0.00 C ATOM 717 O ARG A 71 -4.790 -22.284 -37.422 1.00 0.00 O ATOM 718 CB ARG A 71 -6.357 -24.898 -36.179 1.00 0.00 C ATOM 719 CG ARG A 71 -7.008 -25.546 -34.938 1.00 0.00 C ATOM 720 CD ARG A 71 -6.667 -27.035 -34.752 1.00 0.00 C ATOM 721 NE ARG A 71 -5.268 -27.239 -34.331 1.00 0.00 N ATOM 722 CZ ARG A 71 -4.728 -28.422 -33.991 1.00 0.00 C ATOM 723 NH1 ARG A 71 -5.425 -29.552 -34.100 1.00 0.00 N ATOM 724 NH2 ARG A 71 -3.486 -28.469 -33.546 1.00 0.00 N ATOM 0 H ARG A 71 -8.642 -23.925 -36.474 1.00 0.00 H new ATOM 0 HA ARG A 71 -6.189 -22.888 -35.413 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -6.734 -25.389 -37.076 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -5.281 -25.072 -36.148 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -6.693 -24.999 -34.049 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -8.090 -25.439 -35.012 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -7.335 -27.469 -34.008 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -6.844 -27.566 -35.687 1.00 0.00 H new ATOM 0 HE ARG A 71 -4.663 -26.418 -34.295 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -6.384 -29.528 -34.446 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -4.999 -30.441 -33.837 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -2.942 -27.611 -33.462 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -3.071 -29.364 -33.286 1.00 0.00 H new ATOM 738 N GLU A 72 -6.605 -22.798 -38.694 1.00 0.00 N ATOM 739 CA GLU A 72 -6.032 -22.275 -39.951 1.00 0.00 C ATOM 740 C GLU A 72 -6.306 -20.766 -40.117 1.00 0.00 C ATOM 741 O GLU A 72 -5.446 -20.034 -40.625 1.00 0.00 O ATOM 742 CB GLU A 72 -6.501 -23.127 -41.175 1.00 0.00 C ATOM 743 CG GLU A 72 -8.026 -23.204 -41.459 1.00 0.00 C ATOM 744 CD GLU A 72 -8.595 -22.019 -42.258 1.00 0.00 C ATOM 745 OE1 GLU A 72 -8.096 -21.752 -43.376 1.00 0.00 O ATOM 746 OE2 GLU A 72 -9.546 -21.359 -41.791 1.00 0.00 O ATOM 0 H GLU A 72 -7.548 -23.175 -38.791 1.00 0.00 H new ATOM 0 HA GLU A 72 -4.948 -22.374 -39.901 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -6.014 -22.731 -42.066 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -6.134 -24.144 -41.036 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -8.234 -24.125 -42.004 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -8.555 -23.270 -40.508 1.00 0.00 H new ATOM 753 N ALA A 73 -7.497 -20.308 -39.672 1.00 0.00 N ATOM 754 CA ALA A 73 -7.884 -18.879 -39.721 1.00 0.00 C ATOM 755 C ALA A 73 -7.084 -18.065 -38.705 1.00 0.00 C ATOM 756 O ALA A 73 -6.491 -17.037 -39.047 1.00 0.00 O ATOM 757 CB ALA A 73 -9.392 -18.703 -39.465 1.00 0.00 C ATOM 0 H ALA A 73 -8.213 -20.913 -39.271 1.00 0.00 H new ATOM 0 HA ALA A 73 -7.659 -18.511 -40.722 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.647 -17.644 -39.507 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -9.956 -19.242 -40.226 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -9.642 -19.098 -38.480 1.00 0.00 H new ATOM 763 N ILE A 74 -7.076 -18.545 -37.453 1.00 0.00 N ATOM 764 CA ILE A 74 -6.424 -17.856 -36.329 1.00 0.00 C ATOM 765 C ILE A 74 -5.083 -18.560 -36.013 1.00 0.00 C ATOM 766 O ILE A 74 -5.096 -19.680 -35.484 1.00 0.00 O ATOM 767 CB ILE A 74 -7.340 -17.852 -35.039 1.00 0.00 C ATOM 768 CG1 ILE A 74 -8.796 -17.388 -35.393 1.00 0.00 C ATOM 769 CG2 ILE A 74 -6.724 -16.972 -33.914 1.00 0.00 C ATOM 770 CD1 ILE A 74 -9.799 -17.465 -34.248 1.00 0.00 C ATOM 0 H ILE A 74 -7.522 -19.424 -37.190 1.00 0.00 H new ATOM 0 HA ILE A 74 -6.249 -16.819 -36.616 1.00 0.00 H new ATOM 0 HB ILE A 74 -7.396 -18.873 -34.661 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -8.755 -16.359 -35.750 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -9.164 -17.998 -36.218 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -7.376 -16.989 -33.041 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -5.743 -17.363 -33.642 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -6.620 -15.947 -34.270 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -10.774 -17.123 -34.595 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -9.878 -18.496 -33.902 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -9.463 -16.832 -33.427 1.00 0.00 H new ATOM 782 N PRO A 75 -3.910 -17.938 -36.368 1.00 0.00 N ATOM 783 CA PRO A 75 -2.587 -18.477 -35.998 1.00 0.00 C ATOM 784 C PRO A 75 -2.359 -18.366 -34.470 1.00 0.00 C ATOM 785 O PRO A 75 -2.235 -17.260 -33.920 1.00 0.00 O ATOM 786 CB PRO A 75 -1.599 -17.606 -36.819 1.00 0.00 C ATOM 787 CG PRO A 75 -2.328 -16.315 -37.046 1.00 0.00 C ATOM 788 CD PRO A 75 -3.792 -16.682 -37.166 1.00 0.00 C ATOM 0 HA PRO A 75 -2.467 -19.538 -36.218 1.00 0.00 H new ATOM 0 HB2 PRO A 75 -0.668 -17.445 -36.276 1.00 0.00 H new ATOM 0 HB3 PRO A 75 -1.339 -18.085 -37.763 1.00 0.00 H new ATOM 0 HG2 PRO A 75 -2.165 -15.624 -36.219 1.00 0.00 H new ATOM 0 HG3 PRO A 75 -1.974 -15.820 -37.950 1.00 0.00 H new ATOM 0 HD2 PRO A 75 -4.435 -15.895 -36.772 1.00 0.00 H new ATOM 0 HD3 PRO A 75 -4.081 -16.839 -38.205 1.00 0.00 H new ATOM 796 N GLY A 76 -2.355 -19.523 -33.802 1.00 0.00 N ATOM 797 CA GLY A 76 -2.228 -19.603 -32.349 1.00 0.00 C ATOM 798 C GLY A 76 -3.558 -19.417 -31.634 1.00 0.00 C ATOM 799 O GLY A 76 -3.640 -18.649 -30.675 1.00 0.00 O ATOM 0 H GLY A 76 -2.440 -20.432 -34.257 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -1.806 -20.571 -32.078 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -1.526 -18.842 -32.007 1.00 0.00 H new ATOM 803 N VAL A 77 -4.612 -20.119 -32.103 1.00 0.00 N ATOM 804 CA VAL A 77 -5.937 -20.081 -31.453 1.00 0.00 C ATOM 805 C VAL A 77 -5.881 -20.850 -30.116 1.00 0.00 C ATOM 806 O VAL A 77 -5.203 -21.880 -30.014 1.00 0.00 O ATOM 807 CB VAL A 77 -7.081 -20.662 -32.372 1.00 0.00 C ATOM 808 CG1 VAL A 77 -6.864 -22.152 -32.708 1.00 0.00 C ATOM 809 CG2 VAL A 77 -8.475 -20.432 -31.746 1.00 0.00 C ATOM 0 H VAL A 77 -4.570 -20.717 -32.928 1.00 0.00 H new ATOM 0 HA VAL A 77 -6.182 -19.035 -31.270 1.00 0.00 H new ATOM 0 HB VAL A 77 -7.036 -20.113 -33.313 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -7.678 -22.504 -33.342 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.916 -22.272 -33.233 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.844 -22.734 -31.786 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -9.241 -20.843 -32.403 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -8.525 -20.927 -30.776 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -8.644 -19.363 -31.617 1.00 0.00 H new ATOM 819 N ARG A 78 -6.572 -20.318 -29.095 1.00 0.00 N ATOM 820 CA ARG A 78 -6.605 -20.891 -27.734 1.00 0.00 C ATOM 821 C ARG A 78 -8.038 -21.347 -27.384 1.00 0.00 C ATOM 822 O ARG A 78 -8.248 -22.203 -26.519 1.00 0.00 O ATOM 823 CB ARG A 78 -6.110 -19.849 -26.675 1.00 0.00 C ATOM 824 CG ARG A 78 -4.876 -18.986 -27.081 1.00 0.00 C ATOM 825 CD ARG A 78 -5.267 -17.687 -27.820 1.00 0.00 C ATOM 826 NE ARG A 78 -4.098 -16.968 -28.355 1.00 0.00 N ATOM 827 CZ ARG A 78 -3.414 -15.996 -27.732 1.00 0.00 C ATOM 828 NH1 ARG A 78 -3.718 -15.622 -26.492 1.00 0.00 N ATOM 829 NH2 ARG A 78 -2.410 -15.408 -28.359 1.00 0.00 N ATOM 0 H ARG A 78 -7.130 -19.469 -29.189 1.00 0.00 H new ATOM 0 HA ARG A 78 -5.936 -21.751 -27.713 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -6.936 -19.177 -26.444 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -5.867 -20.383 -25.757 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -4.307 -18.732 -26.187 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -4.220 -19.578 -27.719 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -5.946 -17.928 -28.638 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -5.810 -17.034 -27.137 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.778 -17.234 -29.286 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -4.484 -16.077 -25.996 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -3.185 -14.881 -26.038 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -2.162 -15.694 -29.306 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.883 -14.668 -27.896 1.00 0.00 H new ATOM 843 N LEU A 79 -9.019 -20.773 -28.091 1.00 0.00 N ATOM 844 CA LEU A 79 -10.443 -20.846 -27.734 1.00 0.00 C ATOM 845 C LEU A 79 -11.241 -21.574 -28.820 1.00 0.00 C ATOM 846 O LEU A 79 -11.036 -21.334 -30.014 1.00 0.00 O ATOM 847 CB LEU A 79 -10.983 -19.406 -27.580 1.00 0.00 C ATOM 848 CG LEU A 79 -10.183 -18.493 -26.614 1.00 0.00 C ATOM 849 CD1 LEU A 79 -10.574 -17.016 -26.782 1.00 0.00 C ATOM 850 CD2 LEU A 79 -10.359 -18.954 -25.169 1.00 0.00 C ATOM 0 H LEU A 79 -8.844 -20.236 -28.941 1.00 0.00 H new ATOM 0 HA LEU A 79 -10.551 -21.400 -26.801 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -11.002 -18.937 -28.564 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -12.015 -19.459 -27.232 1.00 0.00 H new ATOM 0 HG LEU A 79 -9.127 -18.577 -26.870 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -9.994 -16.405 -26.090 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -10.369 -16.699 -27.805 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -11.636 -16.895 -26.571 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -9.790 -18.301 -24.507 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -11.415 -18.913 -24.900 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -9.998 -19.977 -25.067 1.00 0.00 H new ATOM 862 N CYS A 80 -12.150 -22.481 -28.396 1.00 0.00 N ATOM 863 CA CYS A 80 -13.104 -23.127 -29.319 1.00 0.00 C ATOM 864 C CYS A 80 -14.086 -22.059 -29.771 1.00 0.00 C ATOM 865 O CYS A 80 -14.331 -21.142 -28.995 1.00 0.00 O ATOM 866 CB CYS A 80 -13.839 -24.312 -28.634 1.00 0.00 C ATOM 867 SG CYS A 80 -15.137 -23.835 -27.439 1.00 0.00 S ATOM 0 H CYS A 80 -12.241 -22.779 -27.425 1.00 0.00 H new ATOM 0 HA CYS A 80 -12.577 -23.548 -30.175 1.00 0.00 H new ATOM 0 HB2 CYS A 80 -14.290 -24.935 -29.407 1.00 0.00 H new ATOM 0 HB3 CYS A 80 -13.101 -24.927 -28.119 1.00 0.00 H new ATOM 0 HG CYS A 80 -14.902 -24.403 -26.294 1.00 0.00 H new ATOM 872 N ILE A 81 -14.675 -22.201 -30.972 1.00 0.00 N ATOM 873 CA ILE A 81 -15.432 -21.105 -31.656 1.00 0.00 C ATOM 874 C ILE A 81 -16.529 -20.484 -30.745 1.00 0.00 C ATOM 875 O ILE A 81 -16.841 -19.302 -30.855 1.00 0.00 O ATOM 876 CB ILE A 81 -16.056 -21.621 -33.012 1.00 0.00 C ATOM 877 CG1 ILE A 81 -16.828 -20.479 -33.767 1.00 0.00 C ATOM 878 CG2 ILE A 81 -16.948 -22.865 -32.773 1.00 0.00 C ATOM 879 CD1 ILE A 81 -17.479 -20.893 -35.075 1.00 0.00 C ATOM 0 H ILE A 81 -14.647 -23.070 -31.505 1.00 0.00 H new ATOM 0 HA ILE A 81 -14.717 -20.313 -31.877 1.00 0.00 H new ATOM 0 HB ILE A 81 -15.236 -21.927 -33.662 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -17.599 -20.085 -33.105 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -16.133 -19.664 -33.968 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -17.366 -23.201 -33.722 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -16.349 -23.664 -32.337 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -17.758 -22.606 -32.091 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -17.985 -20.035 -35.517 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -16.715 -21.257 -35.762 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -18.204 -21.684 -34.886 1.00 0.00 H new ATOM 891 N HIS A 82 -17.028 -21.292 -29.795 1.00 0.00 N ATOM 892 CA HIS A 82 -18.070 -20.893 -28.831 1.00 0.00 C ATOM 893 C HIS A 82 -17.501 -19.886 -27.796 1.00 0.00 C ATOM 894 O HIS A 82 -18.099 -18.839 -27.547 1.00 0.00 O ATOM 895 CB HIS A 82 -18.644 -22.157 -28.133 1.00 0.00 C ATOM 896 CG HIS A 82 -19.026 -23.252 -29.103 1.00 0.00 C ATOM 897 ND1 HIS A 82 -20.206 -23.261 -29.807 1.00 0.00 N ATOM 898 CD2 HIS A 82 -18.341 -24.348 -29.520 1.00 0.00 C ATOM 899 CE1 HIS A 82 -20.230 -24.302 -30.612 1.00 0.00 C ATOM 900 NE2 HIS A 82 -19.110 -24.977 -30.457 1.00 0.00 N ATOM 0 H HIS A 82 -16.715 -22.255 -29.672 1.00 0.00 H new ATOM 0 HA HIS A 82 -18.879 -20.392 -29.363 1.00 0.00 H new ATOM 0 HB2 HIS A 82 -17.905 -22.544 -27.431 1.00 0.00 H new ATOM 0 HB3 HIS A 82 -19.521 -21.875 -27.550 1.00 0.00 H new ATOM 0 HD2 HIS A 82 -17.368 -24.664 -29.174 1.00 0.00 H new ATOM 0 HE1 HIS A 82 -21.033 -24.559 -31.286 1.00 0.00 H new ATOM 0 HE2 HIS A 82 -18.858 -25.830 -30.955 1.00 0.00 H new ATOM 909 N CYS A 83 -16.323 -20.213 -27.211 1.00 0.00 N ATOM 910 CA CYS A 83 -15.619 -19.309 -26.269 1.00 0.00 C ATOM 911 C CYS A 83 -14.836 -18.217 -27.020 1.00 0.00 C ATOM 912 O CYS A 83 -14.431 -17.220 -26.424 1.00 0.00 O ATOM 913 CB CYS A 83 -14.638 -20.086 -25.372 1.00 0.00 C ATOM 914 SG CYS A 83 -15.341 -21.500 -24.469 1.00 0.00 S ATOM 0 H CYS A 83 -15.840 -21.096 -27.375 1.00 0.00 H new ATOM 0 HA CYS A 83 -16.387 -18.846 -25.650 1.00 0.00 H new ATOM 0 HB2 CYS A 83 -13.817 -20.447 -25.991 1.00 0.00 H new ATOM 0 HB3 CYS A 83 -14.210 -19.393 -24.648 1.00 0.00 H new ATOM 0 HG CYS A 83 -15.412 -22.529 -25.261 1.00 0.00 H new ATOM 919 N GLN A 84 -14.571 -18.437 -28.320 1.00 0.00 N ATOM 920 CA GLN A 84 -13.764 -17.510 -29.127 1.00 0.00 C ATOM 921 C GLN A 84 -14.620 -16.298 -29.525 1.00 0.00 C ATOM 922 O GLN A 84 -14.173 -15.161 -29.386 1.00 0.00 O ATOM 923 CB GLN A 84 -13.179 -18.236 -30.388 1.00 0.00 C ATOM 924 CG GLN A 84 -11.805 -17.729 -30.904 1.00 0.00 C ATOM 925 CD GLN A 84 -11.734 -16.213 -31.110 1.00 0.00 C ATOM 926 OE1 GLN A 84 -11.289 -15.491 -30.085 1.00 0.00 O flip ATOM 927 NE2 GLN A 84 -12.042 -15.696 -32.181 1.00 0.00 N flip ATOM 0 H GLN A 84 -14.906 -19.252 -28.834 1.00 0.00 H new ATOM 0 HA GLN A 84 -12.919 -17.159 -28.534 1.00 0.00 H new ATOM 0 HB2 GLN A 84 -13.087 -19.298 -30.158 1.00 0.00 H new ATOM 0 HB3 GLN A 84 -13.902 -18.147 -31.199 1.00 0.00 H new ATOM 0 HG2 GLN A 84 -11.031 -18.025 -30.195 1.00 0.00 H new ATOM 0 HG3 GLN A 84 -11.579 -18.224 -31.848 1.00 0.00 H new ATOM 0 HE21 GLN A 84 -12.380 -16.276 -32.949 1.00 0.00 H new ATOM 0 HE22 GLN A 84 -11.960 -14.687 -32.302 1.00 0.00 H new