USER MOD reduce.3.24.130724 H: found=0, std=0, add=418, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 419 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 Single : A 19 GLN : amide:sc= -1.76 K(o=-1.8,f=-4.1!) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.108 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc=-0.00435 X(o=-0.0044,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0136 USER MOD Single : A 37 GLN : amide:sc= -0.049 K(o=-0.049,f=-0.75) USER MOD Single : A 38 GLN : amide:sc= -0.071 X(o=-0.071,f=-0.43) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= -1.12 X(o=-1.1,f=-0.75) USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0.00268 USER MOD ----------------------------------------------------------------- ATOM 229 N GLN A 19 1.159 -7.209 -2.797 1.00 0.00 N ATOM 230 CA GLN A 19 0.787 -6.554 -1.555 1.00 0.00 C ATOM 231 C GLN A 19 1.927 -6.655 -0.539 1.00 0.00 C ATOM 232 O GLN A 19 2.532 -7.714 -0.383 1.00 0.00 O ATOM 233 CB GLN A 19 -0.505 -7.146 -0.989 1.00 0.00 C ATOM 234 CG GLN A 19 -1.693 -6.845 -1.905 1.00 0.00 C ATOM 235 CD GLN A 19 -3.011 -7.265 -1.250 1.00 0.00 C ATOM 236 OE1 GLN A 19 -3.135 -7.342 -0.038 1.00 0.00 O ATOM 237 NE2 GLN A 19 -3.984 -7.533 -2.115 1.00 0.00 N ATOM 0 HA GLN A 19 0.605 -5.500 -1.764 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -0.395 -8.224 -0.873 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -0.693 -6.736 0.003 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.720 -5.780 -2.134 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.569 -7.371 -2.852 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.813 -7.449 -3.117 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.902 -7.823 -1.777 1.00 0.00 H new ATOM 246 N VAL A 20 2.186 -5.538 0.125 1.00 0.00 N ATOM 247 CA VAL A 20 3.243 -5.487 1.121 1.00 0.00 C ATOM 248 C VAL A 20 2.647 -5.081 2.470 1.00 0.00 C ATOM 249 O VAL A 20 1.828 -4.166 2.541 1.00 0.00 O ATOM 250 CB VAL A 20 4.358 -4.549 0.653 1.00 0.00 C ATOM 251 CG1 VAL A 20 4.838 -4.925 -0.750 1.00 0.00 C ATOM 252 CG2 VAL A 20 3.903 -3.089 0.704 1.00 0.00 C ATOM 0 H VAL A 20 1.682 -4.661 -0.007 1.00 0.00 H new ATOM 0 HA VAL A 20 3.696 -6.470 1.248 1.00 0.00 H new ATOM 0 HB VAL A 20 5.200 -4.662 1.336 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.630 -4.243 -1.058 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.221 -5.946 -0.742 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.006 -4.855 -1.450 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.714 -2.443 0.367 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.038 -2.955 0.055 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.633 -2.828 1.727 1.00 0.00 H new ATOM 262 N GLU A 21 3.080 -5.782 3.507 1.00 0.00 N ATOM 263 CA GLU A 21 2.599 -5.507 4.851 1.00 0.00 C ATOM 264 C GLU A 21 3.529 -4.515 5.554 1.00 0.00 C ATOM 265 O GLU A 21 4.703 -4.809 5.775 1.00 0.00 O ATOM 266 CB GLU A 21 2.462 -6.798 5.660 1.00 0.00 C ATOM 267 CG GLU A 21 1.857 -6.520 7.037 1.00 0.00 C ATOM 268 CD GLU A 21 1.433 -7.821 7.723 1.00 0.00 C ATOM 269 OE1 GLU A 21 2.273 -8.746 7.752 1.00 0.00 O ATOM 270 OE2 GLU A 21 0.279 -7.860 8.201 1.00 0.00 O ATOM 0 H GLU A 21 3.759 -6.540 3.444 1.00 0.00 H new ATOM 0 HA GLU A 21 1.609 -5.058 4.777 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.834 -7.506 5.119 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.440 -7.264 5.776 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.584 -5.997 7.659 1.00 0.00 H new ATOM 0 HG3 GLU A 21 0.994 -5.862 6.933 1.00 0.00 H new ATOM 277 N ILE A 22 2.969 -3.362 5.886 1.00 0.00 N ATOM 278 CA ILE A 22 3.733 -2.325 6.560 1.00 0.00 C ATOM 279 C ILE A 22 4.158 -2.828 7.941 1.00 0.00 C ATOM 280 O ILE A 22 3.335 -3.333 8.703 1.00 0.00 O ATOM 281 CB ILE A 22 2.942 -1.016 6.599 1.00 0.00 C ATOM 282 CG1 ILE A 22 2.438 -0.639 5.204 1.00 0.00 C ATOM 283 CG2 ILE A 22 3.769 0.105 7.233 1.00 0.00 C ATOM 284 CD1 ILE A 22 3.601 -0.251 4.287 1.00 0.00 C ATOM 0 H ILE A 22 1.995 -3.122 5.701 1.00 0.00 H new ATOM 0 HA ILE A 22 4.645 -2.103 6.006 1.00 0.00 H new ATOM 0 HB ILE A 22 2.065 -1.164 7.229 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.893 -1.478 4.771 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.737 0.192 5.279 1.00 0.00 H new ATOM 0 HG21 ILE A 22 3.184 1.025 7.249 1.00 0.00 H new ATOM 0 HG22 ILE A 22 4.037 -0.172 8.253 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.676 0.262 6.650 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.215 0.012 3.302 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.129 0.603 4.710 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.288 -1.092 4.195 1.00 0.00 H new ATOM 296 N THR A 23 5.443 -2.672 8.223 1.00 0.00 N ATOM 297 CA THR A 23 5.988 -3.103 9.499 1.00 0.00 C ATOM 298 C THR A 23 5.857 -1.989 10.539 1.00 0.00 C ATOM 299 O THR A 23 5.506 -2.247 11.689 1.00 0.00 O ATOM 300 CB THR A 23 7.432 -3.553 9.269 1.00 0.00 C ATOM 301 OG1 THR A 23 8.094 -2.375 8.815 1.00 0.00 O ATOM 302 CG2 THR A 23 7.562 -4.528 8.098 1.00 0.00 C ATOM 0 H THR A 23 6.123 -2.253 7.589 1.00 0.00 H new ATOM 0 HA THR A 23 5.430 -3.948 9.902 1.00 0.00 H new ATOM 0 HB THR A 23 7.815 -4.022 10.175 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.038 -2.576 8.643 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.607 -4.816 7.978 1.00 0.00 H new ATOM 0 HG22 THR A 23 6.961 -5.416 8.295 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.211 -4.048 7.184 1.00 0.00 H new ATOM 310 N LYS A 24 6.144 -0.774 10.097 1.00 0.00 N ATOM 311 CA LYS A 24 6.063 0.381 10.975 1.00 0.00 C ATOM 312 C LYS A 24 5.175 1.446 10.328 1.00 0.00 C ATOM 313 O LYS A 24 5.057 1.502 9.105 1.00 0.00 O ATOM 314 CB LYS A 24 7.463 0.882 11.333 1.00 0.00 C ATOM 315 CG LYS A 24 8.213 1.353 10.085 1.00 0.00 C ATOM 316 CD LYS A 24 9.646 0.819 10.071 1.00 0.00 C ATOM 317 CE LYS A 24 10.236 0.869 8.660 1.00 0.00 C ATOM 318 NZ LYS A 24 11.672 1.226 8.712 1.00 0.00 N ATOM 0 H LYS A 24 6.433 -0.564 9.142 1.00 0.00 H new ATOM 0 HA LYS A 24 5.597 0.108 11.922 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.388 1.702 12.048 1.00 0.00 H new ATOM 0 HB3 LYS A 24 8.025 0.085 11.820 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.687 1.016 9.192 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.227 2.442 10.055 1.00 0.00 H new ATOM 0 HD2 LYS A 24 10.264 1.408 10.749 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.659 -0.207 10.438 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.113 -0.098 8.173 1.00 0.00 H new ATOM 0 HE3 LYS A 24 9.695 1.600 8.059 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.058 1.256 7.747 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.782 2.159 9.158 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 12.187 0.514 9.269 1.00 0.00 H new ATOM 332 N ALA A 25 4.574 2.266 11.179 1.00 0.00 N ATOM 333 CA ALA A 25 3.701 3.326 10.706 1.00 0.00 C ATOM 334 C ALA A 25 4.527 4.351 9.926 1.00 0.00 C ATOM 335 O ALA A 25 5.494 4.902 10.449 1.00 0.00 O ATOM 336 CB ALA A 25 2.966 3.951 11.894 1.00 0.00 C ATOM 0 H ALA A 25 4.675 2.217 12.193 1.00 0.00 H new ATOM 0 HA ALA A 25 2.946 2.928 10.029 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.311 4.747 11.539 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.371 3.188 12.396 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.692 4.364 12.594 1.00 0.00 H new ATOM 342 N PHE A 26 4.114 4.577 8.687 1.00 0.00 N ATOM 343 CA PHE A 26 4.804 5.526 7.830 1.00 0.00 C ATOM 344 C PHE A 26 4.022 6.837 7.724 1.00 0.00 C ATOM 345 O PHE A 26 2.898 6.855 7.226 1.00 0.00 O ATOM 346 CB PHE A 26 4.899 4.889 6.442 1.00 0.00 C ATOM 347 CG PHE A 26 5.526 5.797 5.382 1.00 0.00 C ATOM 348 CD1 PHE A 26 6.700 6.434 5.641 1.00 0.00 C ATOM 349 CD2 PHE A 26 4.910 5.967 4.182 1.00 0.00 C ATOM 350 CE1 PHE A 26 7.281 7.276 4.657 1.00 0.00 C ATOM 351 CE2 PHE A 26 5.492 6.809 3.198 1.00 0.00 C ATOM 352 CZ PHE A 26 6.665 7.446 3.457 1.00 0.00 C ATOM 0 H PHE A 26 3.310 4.119 8.257 1.00 0.00 H new ATOM 0 HA PHE A 26 5.788 5.752 8.242 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.485 3.973 6.513 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.899 4.603 6.115 1.00 0.00 H new ATOM 0 HD1 PHE A 26 7.189 6.299 6.594 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.978 5.462 3.977 1.00 0.00 H new ATOM 0 HE1 PHE A 26 8.213 7.782 4.862 1.00 0.00 H new ATOM 0 HE2 PHE A 26 5.003 6.943 2.244 1.00 0.00 H new ATOM 0 HZ PHE A 26 7.108 8.087 2.709 1.00 0.00 H new ATOM 362 N PHE A 27 4.649 7.903 8.200 1.00 0.00 N ATOM 363 CA PHE A 27 4.026 9.215 8.164 1.00 0.00 C ATOM 364 C PHE A 27 4.279 9.906 6.823 1.00 0.00 C ATOM 365 O PHE A 27 5.408 10.291 6.522 1.00 0.00 O ATOM 366 CB PHE A 27 4.666 10.044 9.280 1.00 0.00 C ATOM 367 CG PHE A 27 4.447 9.473 10.683 1.00 0.00 C ATOM 368 CD1 PHE A 27 3.214 9.039 11.055 1.00 0.00 C ATOM 369 CD2 PHE A 27 5.487 9.400 11.557 1.00 0.00 C ATOM 370 CE1 PHE A 27 3.011 8.510 12.357 1.00 0.00 C ATOM 371 CE2 PHE A 27 5.284 8.871 12.858 1.00 0.00 C ATOM 372 CZ PHE A 27 4.050 8.437 13.231 1.00 0.00 C ATOM 0 H PHE A 27 5.582 7.885 8.612 1.00 0.00 H new ATOM 0 HA PHE A 27 2.948 9.119 8.295 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.737 10.121 9.093 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.263 11.056 9.244 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.389 9.096 10.361 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.467 9.745 11.261 1.00 0.00 H new ATOM 0 HE1 PHE A 27 2.031 8.166 12.653 1.00 0.00 H new ATOM 0 HE2 PHE A 27 6.109 8.813 13.552 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.896 8.034 14.221 1.00 0.00 H new ATOM 382 N ALA A 28 3.210 10.042 6.053 1.00 0.00 N ATOM 383 CA ALA A 28 3.302 10.680 4.750 1.00 0.00 C ATOM 384 C ALA A 28 3.508 12.184 4.937 1.00 0.00 C ATOM 385 O ALA A 28 2.715 12.845 5.607 1.00 0.00 O ATOM 386 CB ALA A 28 2.047 10.360 3.935 1.00 0.00 C ATOM 0 H ALA A 28 2.275 9.721 6.306 1.00 0.00 H new ATOM 0 HA ALA A 28 4.158 10.297 4.194 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.116 10.838 2.958 1.00 0.00 H new ATOM 0 HB2 ALA A 28 1.963 9.281 3.806 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.167 10.732 4.460 1.00 0.00 H new ATOM 392 N LYS A 29 4.577 12.683 4.334 1.00 0.00 N ATOM 393 CA LYS A 29 4.897 14.097 4.426 1.00 0.00 C ATOM 394 C LYS A 29 4.530 14.785 3.109 1.00 0.00 C ATOM 395 O LYS A 29 4.181 15.964 3.097 1.00 0.00 O ATOM 396 CB LYS A 29 6.359 14.290 4.834 1.00 0.00 C ATOM 397 CG LYS A 29 7.302 13.913 3.689 1.00 0.00 C ATOM 398 CD LYS A 29 8.069 12.629 4.011 1.00 0.00 C ATOM 399 CE LYS A 29 9.513 12.939 4.411 1.00 0.00 C ATOM 400 NZ LYS A 29 9.639 13.010 5.884 1.00 0.00 N ATOM 0 H LYS A 29 5.233 12.133 3.780 1.00 0.00 H new ATOM 0 HA LYS A 29 4.306 14.571 5.210 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.526 15.328 5.121 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.580 13.678 5.709 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.730 13.779 2.771 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.006 14.726 3.510 1.00 0.00 H new ATOM 0 HD2 LYS A 29 7.570 12.096 4.820 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.062 11.969 3.143 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.178 12.169 4.020 1.00 0.00 H new ATOM 0 HE3 LYS A 29 9.824 13.885 3.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 10.625 13.221 6.138 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 9.019 13.761 6.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.362 12.098 6.300 1.00 0.00 H new ATOM 414 N GLN A 30 4.622 14.019 2.032 1.00 0.00 N ATOM 415 CA GLN A 30 4.305 14.540 0.714 1.00 0.00 C ATOM 416 C GLN A 30 2.797 14.463 0.462 1.00 0.00 C ATOM 417 O GLN A 30 2.054 13.922 1.280 1.00 0.00 O ATOM 418 CB GLN A 30 5.081 13.793 -0.373 1.00 0.00 C ATOM 419 CG GLN A 30 6.494 14.361 -0.526 1.00 0.00 C ATOM 420 CD GLN A 30 6.778 14.739 -1.981 1.00 0.00 C ATOM 421 OE1 GLN A 30 6.688 13.929 -2.889 1.00 0.00 O ATOM 422 NE2 GLN A 30 7.125 16.012 -2.151 1.00 0.00 N ATOM 0 H GLN A 30 4.912 13.041 2.046 1.00 0.00 H new ATOM 0 HA GLN A 30 4.608 15.586 0.676 1.00 0.00 H new ATOM 0 HB2 GLN A 30 5.136 12.734 -0.123 1.00 0.00 H new ATOM 0 HB3 GLN A 30 4.550 13.869 -1.322 1.00 0.00 H new ATOM 0 HG2 GLN A 30 6.608 15.239 0.110 1.00 0.00 H new ATOM 0 HG3 GLN A 30 7.224 13.625 -0.188 1.00 0.00 H new ATOM 0 HE21 GLN A 30 7.181 16.637 -1.347 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.335 16.363 -3.085 1.00 0.00 H new ATOM 431 N ALA A 31 2.391 15.011 -0.674 1.00 0.00 N ATOM 432 CA ALA A 31 0.986 15.011 -1.044 1.00 0.00 C ATOM 433 C ALA A 31 0.684 13.769 -1.885 1.00 0.00 C ATOM 434 O ALA A 31 -0.453 13.560 -2.305 1.00 0.00 O ATOM 435 CB ALA A 31 0.652 16.309 -1.782 1.00 0.00 C ATOM 0 H ALA A 31 3.010 15.458 -1.350 1.00 0.00 H new ATOM 0 HA ALA A 31 0.356 14.969 -0.156 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.402 16.309 -2.060 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.856 17.160 -1.132 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.264 16.384 -2.681 1.00 0.00 H new ATOM 441 N ASP A 32 1.722 12.976 -2.105 1.00 0.00 N ATOM 442 CA ASP A 32 1.583 11.760 -2.888 1.00 0.00 C ATOM 443 C ASP A 32 1.762 10.546 -1.973 1.00 0.00 C ATOM 444 O ASP A 32 1.380 9.433 -2.331 1.00 0.00 O ATOM 445 CB ASP A 32 2.647 11.686 -3.985 1.00 0.00 C ATOM 446 CG ASP A 32 2.113 11.362 -5.382 1.00 0.00 C ATOM 447 OD1 ASP A 32 0.905 11.600 -5.597 1.00 0.00 O ATOM 448 OD2 ASP A 32 2.926 10.884 -6.203 1.00 0.00 O ATOM 0 H ASP A 32 2.664 13.152 -1.754 1.00 0.00 H new ATOM 0 HA ASP A 32 0.594 11.765 -3.345 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.173 12.640 -4.025 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.381 10.929 -3.708 1.00 0.00 H new ATOM 453 N GLU A 33 2.341 10.802 -0.810 1.00 0.00 N ATOM 454 CA GLU A 33 2.575 9.745 0.159 1.00 0.00 C ATOM 455 C GLU A 33 1.258 9.323 0.813 1.00 0.00 C ATOM 456 O GLU A 33 0.260 10.037 0.724 1.00 0.00 O ATOM 457 CB GLU A 33 3.595 10.182 1.212 1.00 0.00 C ATOM 458 CG GLU A 33 5.021 10.091 0.666 1.00 0.00 C ATOM 459 CD GLU A 33 6.043 10.502 1.728 1.00 0.00 C ATOM 460 OE1 GLU A 33 5.876 10.049 2.881 1.00 0.00 O ATOM 461 OE2 GLU A 33 6.967 11.261 1.363 1.00 0.00 O ATOM 0 H GLU A 33 2.655 11.727 -0.516 1.00 0.00 H new ATOM 0 HA GLU A 33 2.990 8.884 -0.365 1.00 0.00 H new ATOM 0 HB2 GLU A 33 3.386 11.205 1.523 1.00 0.00 H new ATOM 0 HB3 GLU A 33 3.500 9.554 2.098 1.00 0.00 H new ATOM 0 HG2 GLU A 33 5.224 9.072 0.337 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.121 10.734 -0.208 1.00 0.00 H new ATOM 468 N VAL A 34 1.297 8.165 1.455 1.00 0.00 N ATOM 469 CA VAL A 34 0.119 7.640 2.124 1.00 0.00 C ATOM 470 C VAL A 34 0.510 7.130 3.512 1.00 0.00 C ATOM 471 O VAL A 34 1.458 6.358 3.649 1.00 0.00 O ATOM 472 CB VAL A 34 -0.540 6.565 1.256 1.00 0.00 C ATOM 473 CG1 VAL A 34 0.490 5.539 0.778 1.00 0.00 C ATOM 474 CG2 VAL A 34 -1.687 5.884 2.004 1.00 0.00 C ATOM 0 H VAL A 34 2.126 7.575 1.526 1.00 0.00 H new ATOM 0 HA VAL A 34 -0.623 8.426 2.264 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.958 7.054 0.376 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.004 4.786 0.163 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.258 6.041 0.189 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.951 5.057 1.640 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.138 5.125 1.365 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.303 5.415 2.910 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.439 6.627 2.271 1.00 0.00 H new ATOM 484 N THR A 35 -0.239 7.582 4.507 1.00 0.00 N ATOM 485 CA THR A 35 0.018 7.181 5.879 1.00 0.00 C ATOM 486 C THR A 35 -0.388 5.721 6.094 1.00 0.00 C ATOM 487 O THR A 35 -1.489 5.318 5.722 1.00 0.00 O ATOM 488 CB THR A 35 -0.715 8.157 6.802 1.00 0.00 C ATOM 489 OG1 THR A 35 -0.582 9.417 6.151 1.00 0.00 O ATOM 490 CG2 THR A 35 0.003 8.350 8.139 1.00 0.00 C ATOM 0 H THR A 35 -1.024 8.222 4.390 1.00 0.00 H new ATOM 0 HA THR A 35 1.082 7.227 6.111 1.00 0.00 H new ATOM 0 HB THR A 35 -1.727 7.795 6.983 1.00 0.00 H new ATOM 0 HG1 THR A 35 -1.031 10.108 6.681 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.559 9.052 8.756 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.076 7.392 8.654 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.004 8.744 7.961 1.00 0.00 H new ATOM 498 N LEU A 36 0.524 4.969 6.691 1.00 0.00 N ATOM 499 CA LEU A 36 0.275 3.562 6.959 1.00 0.00 C ATOM 500 C LEU A 36 0.479 3.288 8.451 1.00 0.00 C ATOM 501 O LEU A 36 0.902 4.171 9.196 1.00 0.00 O ATOM 502 CB LEU A 36 1.135 2.683 6.049 1.00 0.00 C ATOM 503 CG LEU A 36 1.377 3.216 4.635 1.00 0.00 C ATOM 504 CD1 LEU A 36 2.779 2.851 4.144 1.00 0.00 C ATOM 505 CD2 LEU A 36 0.289 2.734 3.674 1.00 0.00 C ATOM 0 H LEU A 36 1.437 5.307 6.997 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.759 3.307 6.726 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.102 2.533 6.530 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.663 1.704 5.971 1.00 0.00 H new ATOM 0 HG LEU A 36 1.320 4.304 4.666 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.925 3.242 3.137 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.523 3.284 4.813 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.890 1.767 4.132 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.485 3.127 2.676 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.289 1.644 3.641 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.683 3.087 4.019 1.00 0.00 H new ATOM 517 N GLN A 37 0.168 2.061 8.842 1.00 0.00 N ATOM 518 CA GLN A 37 0.312 1.659 10.231 1.00 0.00 C ATOM 519 C GLN A 37 1.004 0.298 10.320 1.00 0.00 C ATOM 520 O GLN A 37 1.056 -0.443 9.340 1.00 0.00 O ATOM 521 CB GLN A 37 -1.045 1.632 10.937 1.00 0.00 C ATOM 522 CG GLN A 37 -1.600 3.047 11.112 1.00 0.00 C ATOM 523 CD GLN A 37 -1.001 3.721 12.348 1.00 0.00 C ATOM 524 OE1 GLN A 37 -0.813 3.114 13.389 1.00 0.00 O ATOM 525 NE2 GLN A 37 -0.713 5.008 12.175 1.00 0.00 N ATOM 0 H GLN A 37 -0.183 1.332 8.221 1.00 0.00 H new ATOM 0 HA GLN A 37 0.935 2.395 10.740 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -1.747 1.031 10.360 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -0.943 1.155 11.911 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -1.378 3.641 10.226 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -2.685 3.007 11.205 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.896 5.455 11.277 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -0.309 5.548 12.941 1.00 0.00 H new ATOM 534 N GLN A 38 1.520 0.009 11.506 1.00 0.00 N ATOM 535 CA GLN A 38 2.207 -1.251 11.737 1.00 0.00 C ATOM 536 C GLN A 38 1.273 -2.426 11.445 1.00 0.00 C ATOM 537 O GLN A 38 0.193 -2.525 12.026 1.00 0.00 O ATOM 538 CB GLN A 38 2.751 -1.325 13.165 1.00 0.00 C ATOM 539 CG GLN A 38 3.391 -2.688 13.438 1.00 0.00 C ATOM 540 CD GLN A 38 2.734 -3.371 14.639 1.00 0.00 C ATOM 541 OE1 GLN A 38 1.534 -3.304 14.845 1.00 0.00 O ATOM 542 NE2 GLN A 38 3.587 -4.029 15.419 1.00 0.00 N ATOM 0 H GLN A 38 1.476 0.626 12.317 1.00 0.00 H new ATOM 0 HA GLN A 38 3.056 -1.309 11.056 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.487 -0.536 13.319 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.943 -1.150 13.875 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.295 -3.322 12.557 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.457 -2.562 13.625 1.00 0.00 H new ATOM 0 HE21 GLN A 38 4.581 -4.045 15.189 1.00 0.00 H new ATOM 0 HE22 GLN A 38 3.248 -4.518 16.248 1.00 0.00 H new ATOM 551 N ALA A 39 1.722 -3.288 10.545 1.00 0.00 N ATOM 552 CA ALA A 39 0.940 -4.454 10.168 1.00 0.00 C ATOM 553 C ALA A 39 -0.236 -4.012 9.294 1.00 0.00 C ATOM 554 O ALA A 39 -1.372 -4.424 9.522 1.00 0.00 O ATOM 555 CB ALA A 39 0.484 -5.192 11.429 1.00 0.00 C ATOM 0 H ALA A 39 2.618 -3.203 10.065 1.00 0.00 H new ATOM 0 HA ALA A 39 1.543 -5.149 9.583 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.102 -6.066 11.147 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.356 -5.509 12.000 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.127 -4.527 12.039 1.00 0.00 H new ATOM 561 N ASP A 40 0.078 -3.181 8.311 1.00 0.00 N ATOM 562 CA ASP A 40 -0.938 -2.679 7.402 1.00 0.00 C ATOM 563 C ASP A 40 -0.668 -3.218 5.995 1.00 0.00 C ATOM 564 O ASP A 40 0.482 -3.286 5.563 1.00 0.00 O ATOM 565 CB ASP A 40 -0.912 -1.151 7.336 1.00 0.00 C ATOM 566 CG ASP A 40 -1.645 -0.442 8.476 1.00 0.00 C ATOM 567 OD1 ASP A 40 -1.688 -1.033 9.577 1.00 0.00 O ATOM 568 OD2 ASP A 40 -2.146 0.674 8.222 1.00 0.00 O ATOM 0 H ASP A 40 1.022 -2.843 8.124 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.911 -3.007 7.769 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.127 -0.820 7.331 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.352 -0.836 6.390 1.00 0.00 H new ATOM 573 N VAL A 41 -1.747 -3.587 5.320 1.00 0.00 N ATOM 574 CA VAL A 41 -1.640 -4.118 3.972 1.00 0.00 C ATOM 575 C VAL A 41 -1.948 -3.006 2.966 1.00 0.00 C ATOM 576 O VAL A 41 -2.871 -2.219 3.168 1.00 0.00 O ATOM 577 CB VAL A 41 -2.553 -5.335 3.815 1.00 0.00 C ATOM 578 CG1 VAL A 41 -2.664 -5.752 2.347 1.00 0.00 C ATOM 579 CG2 VAL A 41 -2.068 -6.499 4.681 1.00 0.00 C ATOM 0 H VAL A 41 -2.699 -3.529 5.681 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.625 -4.463 3.776 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.548 -5.054 4.159 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.319 -6.619 2.264 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -3.077 -4.928 1.765 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.675 -6.006 1.965 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -2.734 -7.352 4.551 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.058 -6.779 4.382 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.065 -6.197 5.728 1.00 0.00 H new ATOM 589 N VAL A 42 -1.157 -2.979 1.903 1.00 0.00 N ATOM 590 CA VAL A 42 -1.333 -1.977 0.865 1.00 0.00 C ATOM 591 C VAL A 42 -1.230 -2.647 -0.506 1.00 0.00 C ATOM 592 O VAL A 42 -0.336 -3.459 -0.739 1.00 0.00 O ATOM 593 CB VAL A 42 -0.322 -0.844 1.054 1.00 0.00 C ATOM 594 CG1 VAL A 42 -0.270 0.056 -0.182 1.00 0.00 C ATOM 595 CG2 VAL A 42 -0.638 -0.032 2.312 1.00 0.00 C ATOM 0 H VAL A 42 -0.393 -3.635 1.738 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.323 -1.526 0.933 1.00 0.00 H new ATOM 0 HB VAL A 42 0.663 -1.292 1.183 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.456 0.853 -0.021 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.025 -0.534 -1.050 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.254 0.491 -0.357 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.095 0.767 2.423 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.635 0.400 2.225 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.600 -0.684 3.185 1.00 0.00 H new ATOM 605 N LEU A 43 -2.158 -2.282 -1.379 1.00 0.00 N ATOM 606 CA LEU A 43 -2.184 -2.837 -2.721 1.00 0.00 C ATOM 607 C LEU A 43 -1.256 -2.021 -3.624 1.00 0.00 C ATOM 608 O LEU A 43 -1.551 -0.870 -3.943 1.00 0.00 O ATOM 609 CB LEU A 43 -3.621 -2.927 -3.237 1.00 0.00 C ATOM 610 CG LEU A 43 -3.820 -3.709 -4.537 1.00 0.00 C ATOM 611 CD1 LEU A 43 -3.438 -5.180 -4.356 1.00 0.00 C ATOM 612 CD2 LEU A 43 -5.249 -3.548 -5.061 1.00 0.00 C ATOM 0 H LEU A 43 -2.898 -1.608 -1.182 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.807 -3.860 -2.717 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.236 -3.386 -2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.997 -1.915 -3.384 1.00 0.00 H new ATOM 0 HG LEU A 43 -3.152 -3.293 -5.291 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.589 -5.713 -5.295 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.391 -5.250 -4.063 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.062 -5.625 -3.581 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -5.363 -4.114 -5.986 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.953 -3.921 -4.318 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.449 -2.494 -5.253 1.00 0.00 H new ATOM 624 N VAL A 44 -0.155 -2.649 -4.009 1.00 0.00 N ATOM 625 CA VAL A 44 0.817 -1.995 -4.869 1.00 0.00 C ATOM 626 C VAL A 44 0.182 -1.722 -6.234 1.00 0.00 C ATOM 627 O VAL A 44 -0.550 -2.558 -6.760 1.00 0.00 O ATOM 628 CB VAL A 44 2.088 -2.842 -4.959 1.00 0.00 C ATOM 629 CG1 VAL A 44 3.068 -2.253 -5.977 1.00 0.00 C ATOM 630 CG2 VAL A 44 2.747 -2.991 -3.586 1.00 0.00 C ATOM 0 H VAL A 44 0.086 -3.603 -3.741 1.00 0.00 H new ATOM 0 HA VAL A 44 1.112 -1.033 -4.450 1.00 0.00 H new ATOM 0 HB VAL A 44 1.804 -3.836 -5.303 1.00 0.00 H new ATOM 0 HG11 VAL A 44 3.963 -2.874 -6.022 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.598 -2.223 -6.960 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.342 -1.242 -5.675 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.648 -3.597 -3.679 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.010 -2.006 -3.200 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.053 -3.476 -2.900 1.00 0.00 H new ATOM 640 N LEU A 45 0.486 -0.548 -6.768 1.00 0.00 N ATOM 641 CA LEU A 45 -0.046 -0.154 -8.061 1.00 0.00 C ATOM 642 C LEU A 45 1.113 0.139 -9.016 1.00 0.00 C ATOM 643 O LEU A 45 1.067 -0.235 -10.187 1.00 0.00 O ATOM 644 CB LEU A 45 -1.025 1.011 -7.906 1.00 0.00 C ATOM 645 CG LEU A 45 -2.351 0.686 -7.215 1.00 0.00 C ATOM 646 CD1 LEU A 45 -2.829 1.863 -6.363 1.00 0.00 C ATOM 647 CD2 LEU A 45 -3.407 0.249 -8.233 1.00 0.00 C ATOM 0 H LEU A 45 1.094 0.143 -6.328 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.623 -0.968 -8.499 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.530 1.803 -7.344 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.243 1.411 -8.896 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.187 -0.154 -6.540 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.773 1.605 -5.883 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.083 2.086 -5.600 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.972 2.738 -6.998 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.340 0.024 -7.716 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.575 1.052 -8.951 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.060 -0.641 -8.758 1.00 0.00 H new ATOM 659 N GLN A 46 2.125 0.806 -8.481 1.00 0.00 N ATOM 660 CA GLN A 46 3.294 1.154 -9.271 1.00 0.00 C ATOM 661 C GLN A 46 4.569 0.940 -8.454 1.00 0.00 C ATOM 662 O GLN A 46 4.818 1.656 -7.486 1.00 0.00 O ATOM 663 CB GLN A 46 3.203 2.594 -9.779 1.00 0.00 C ATOM 664 CG GLN A 46 2.717 2.635 -11.229 1.00 0.00 C ATOM 665 CD GLN A 46 1.534 3.593 -11.384 1.00 0.00 C ATOM 666 OE1 GLN A 46 1.691 4.784 -11.594 1.00 0.00 O ATOM 667 NE2 GLN A 46 0.345 3.008 -11.268 1.00 0.00 N ATOM 0 H GLN A 46 2.160 1.115 -7.510 1.00 0.00 H new ATOM 0 HA GLN A 46 3.329 0.498 -10.141 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.522 3.164 -9.147 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.180 3.072 -9.706 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.532 2.950 -11.881 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.423 1.634 -11.546 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.285 2.005 -11.092 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.507 3.562 -11.355 1.00 0.00 H new ATOM 676 N GLN A 47 5.344 -0.050 -8.874 1.00 0.00 N ATOM 677 CA GLN A 47 6.588 -0.367 -8.194 1.00 0.00 C ATOM 678 C GLN A 47 7.740 0.446 -8.787 1.00 0.00 C ATOM 679 O GLN A 47 8.127 0.234 -9.935 1.00 0.00 O ATOM 680 CB GLN A 47 6.883 -1.867 -8.262 1.00 0.00 C ATOM 681 CG GLN A 47 6.424 -2.575 -6.985 1.00 0.00 C ATOM 682 CD GLN A 47 6.908 -4.026 -6.959 1.00 0.00 C ATOM 683 OE1 GLN A 47 6.137 -4.966 -7.063 1.00 0.00 O ATOM 684 NE2 GLN A 47 8.224 -4.155 -6.814 1.00 0.00 N ATOM 0 H GLN A 47 5.134 -0.643 -9.677 1.00 0.00 H new ATOM 0 HA GLN A 47 6.483 -0.098 -7.143 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.378 -2.302 -9.125 1.00 0.00 H new ATOM 0 HB3 GLN A 47 7.952 -2.025 -8.405 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.807 -2.044 -6.113 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.336 -2.549 -6.922 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.812 -3.325 -6.733 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.645 -5.083 -6.784 1.00 0.00 H new ATOM 693 N GLU A 48 8.256 1.359 -7.978 1.00 0.00 N ATOM 694 CA GLU A 48 9.356 2.205 -8.409 1.00 0.00 C ATOM 695 C GLU A 48 10.569 2.002 -7.498 1.00 0.00 C ATOM 696 O GLU A 48 10.445 2.040 -6.275 1.00 0.00 O ATOM 697 CB GLU A 48 8.936 3.675 -8.444 1.00 0.00 C ATOM 698 CG GLU A 48 9.953 4.518 -9.217 1.00 0.00 C ATOM 699 CD GLU A 48 10.227 5.841 -8.500 1.00 0.00 C ATOM 700 OE1 GLU A 48 9.245 6.429 -7.998 1.00 0.00 O ATOM 701 OE2 GLU A 48 11.413 6.235 -8.470 1.00 0.00 O ATOM 0 H GLU A 48 7.933 1.532 -7.026 1.00 0.00 H new ATOM 0 HA GLU A 48 9.635 1.918 -9.423 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.955 3.765 -8.910 1.00 0.00 H new ATOM 0 HB3 GLU A 48 8.842 4.054 -7.426 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.883 3.961 -9.328 1.00 0.00 H new ATOM 0 HG3 GLU A 48 9.578 4.715 -10.221 1.00 0.00 H new ATOM 708 N ASP A 49 11.715 1.792 -8.130 1.00 0.00 N ATOM 709 CA ASP A 49 12.949 1.584 -7.392 1.00 0.00 C ATOM 710 C ASP A 49 13.164 2.751 -6.426 1.00 0.00 C ATOM 711 O ASP A 49 13.576 3.834 -6.837 1.00 0.00 O ATOM 712 CB ASP A 49 14.152 1.524 -8.336 1.00 0.00 C ATOM 713 CG ASP A 49 15.464 2.045 -7.745 1.00 0.00 C ATOM 714 OD1 ASP A 49 15.840 1.540 -6.666 1.00 0.00 O ATOM 715 OD2 ASP A 49 16.061 2.936 -8.387 1.00 0.00 O ATOM 0 H ASP A 49 11.814 1.762 -9.145 1.00 0.00 H new ATOM 0 HA ASP A 49 12.865 0.640 -6.854 1.00 0.00 H new ATOM 0 HB2 ASP A 49 14.297 0.490 -8.650 1.00 0.00 H new ATOM 0 HB3 ASP A 49 13.921 2.100 -9.232 1.00 0.00 H new ATOM 720 N GLY A 50 12.875 2.490 -5.160 1.00 0.00 N ATOM 721 CA GLY A 50 13.031 3.505 -4.132 1.00 0.00 C ATOM 722 C GLY A 50 11.705 3.766 -3.413 1.00 0.00 C ATOM 723 O GLY A 50 11.680 3.952 -2.198 1.00 0.00 O ATOM 0 H GLY A 50 12.534 1.590 -4.822 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.783 3.185 -3.411 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.394 4.430 -4.581 1.00 0.00 H new ATOM 727 N TRP A 51 10.636 3.772 -4.196 1.00 0.00 N ATOM 728 CA TRP A 51 9.310 4.008 -3.650 1.00 0.00 C ATOM 729 C TRP A 51 8.331 3.077 -4.367 1.00 0.00 C ATOM 730 O TRP A 51 8.382 2.939 -5.589 1.00 0.00 O ATOM 731 CB TRP A 51 8.925 5.484 -3.764 1.00 0.00 C ATOM 732 CG TRP A 51 9.706 6.405 -2.825 1.00 0.00 C ATOM 733 CD1 TRP A 51 10.957 6.864 -2.972 1.00 0.00 C ATOM 734 CD2 TRP A 51 9.235 6.966 -1.582 1.00 0.00 C ATOM 735 NE1 TRP A 51 11.324 7.676 -1.918 1.00 0.00 N ATOM 736 CE2 TRP A 51 10.244 7.739 -1.046 1.00 0.00 C ATOM 737 CE3 TRP A 51 7.996 6.824 -0.931 1.00 0.00 C ATOM 738 CZ2 TRP A 51 10.119 8.431 0.165 1.00 0.00 C ATOM 739 CZ3 TRP A 51 7.887 7.521 0.278 1.00 0.00 C ATOM 740 CH2 TRP A 51 8.894 8.304 0.831 1.00 0.00 C ATOM 0 H TRP A 51 10.661 3.617 -5.204 1.00 0.00 H new ATOM 0 HA TRP A 51 9.286 3.783 -2.584 1.00 0.00 H new ATOM 0 HB2 TRP A 51 9.083 5.812 -4.792 1.00 0.00 H new ATOM 0 HB3 TRP A 51 7.860 5.588 -3.556 1.00 0.00 H new ATOM 0 HD1 TRP A 51 11.597 6.628 -3.809 1.00 0.00 H new ATOM 0 HE1 TRP A 51 12.223 8.144 -1.801 1.00 0.00 H new ATOM 0 HE3 TRP A 51 7.192 6.225 -1.332 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 10.924 9.030 0.564 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 6.955 7.445 0.819 1.00 0.00 H new ATOM 0 HH2 TRP A 51 8.732 8.812 1.770 1.00 0.00 H new ATOM 751 N LEU A 52 7.462 2.462 -3.578 1.00 0.00 N ATOM 752 CA LEU A 52 6.473 1.548 -4.123 1.00 0.00 C ATOM 753 C LEU A 52 5.077 2.151 -3.948 1.00 0.00 C ATOM 754 O LEU A 52 4.617 2.344 -2.824 1.00 0.00 O ATOM 755 CB LEU A 52 6.625 0.159 -3.500 1.00 0.00 C ATOM 756 CG LEU A 52 8.059 -0.355 -3.351 1.00 0.00 C ATOM 757 CD1 LEU A 52 8.711 -0.565 -4.718 1.00 0.00 C ATOM 758 CD2 LEU A 52 8.884 0.574 -2.458 1.00 0.00 C ATOM 0 H LEU A 52 7.422 2.579 -2.565 1.00 0.00 H new ATOM 0 HA LEU A 52 6.630 1.411 -5.193 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.160 0.172 -2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.066 -0.553 -4.107 1.00 0.00 H new ATOM 0 HG LEU A 52 8.024 -1.327 -2.859 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.729 -0.930 -4.583 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.136 -1.295 -5.287 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.734 0.381 -5.259 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.899 0.186 -2.368 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.914 1.570 -2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.428 0.628 -1.470 1.00 0.00 H new ATOM 770 N TYR A 53 4.443 2.431 -5.077 1.00 0.00 N ATOM 771 CA TYR A 53 3.109 3.008 -5.063 1.00 0.00 C ATOM 772 C TYR A 53 2.045 1.923 -4.887 1.00 0.00 C ATOM 773 O TYR A 53 2.201 0.808 -5.383 1.00 0.00 O ATOM 774 CB TYR A 53 2.922 3.672 -6.428 1.00 0.00 C ATOM 775 CG TYR A 53 1.719 4.614 -6.502 1.00 0.00 C ATOM 776 CD1 TYR A 53 1.638 5.698 -5.653 1.00 0.00 C ATOM 777 CD2 TYR A 53 0.714 4.379 -7.419 1.00 0.00 C ATOM 778 CE1 TYR A 53 0.505 6.585 -5.723 1.00 0.00 C ATOM 779 CE2 TYR A 53 -0.419 5.265 -7.489 1.00 0.00 C ATOM 780 CZ TYR A 53 -0.467 6.324 -6.637 1.00 0.00 C ATOM 781 OH TYR A 53 -1.537 7.162 -6.703 1.00 0.00 O ATOM 0 H TYR A 53 4.828 2.269 -6.008 1.00 0.00 H new ATOM 0 HA TYR A 53 3.004 3.713 -4.238 1.00 0.00 H new ATOM 0 HB2 TYR A 53 3.824 4.231 -6.675 1.00 0.00 H new ATOM 0 HB3 TYR A 53 2.810 2.896 -7.186 1.00 0.00 H new ATOM 0 HD1 TYR A 53 2.424 5.882 -4.936 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.778 3.530 -8.084 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.429 7.438 -5.065 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.212 5.093 -8.201 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.151 6.854 -7.402 1.00 0.00 H new ATOM 791 N GLY A 54 0.986 2.287 -4.179 1.00 0.00 N ATOM 792 CA GLY A 54 -0.104 1.359 -3.931 1.00 0.00 C ATOM 793 C GLY A 54 -1.282 2.064 -3.255 1.00 0.00 C ATOM 794 O GLY A 54 -1.265 3.282 -3.082 1.00 0.00 O ATOM 0 H GLY A 54 0.860 3.212 -3.769 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.431 0.917 -4.872 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.246 0.542 -3.300 1.00 0.00 H new ATOM 798 N GLU A 55 -2.277 1.268 -2.890 1.00 0.00 N ATOM 799 CA GLU A 55 -3.460 1.801 -2.237 1.00 0.00 C ATOM 800 C GLU A 55 -3.713 1.068 -0.918 1.00 0.00 C ATOM 801 O GLU A 55 -3.850 -0.154 -0.899 1.00 0.00 O ATOM 802 CB GLU A 55 -4.680 1.713 -3.156 1.00 0.00 C ATOM 803 CG GLU A 55 -5.963 2.066 -2.400 1.00 0.00 C ATOM 804 CD GLU A 55 -6.689 0.804 -1.931 1.00 0.00 C ATOM 805 OE1 GLU A 55 -7.382 0.201 -2.778 1.00 0.00 O ATOM 806 OE2 GLU A 55 -6.534 0.471 -0.736 1.00 0.00 O ATOM 0 H GLU A 55 -2.288 0.258 -3.034 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.287 2.855 -2.018 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.553 2.390 -4.000 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.760 0.706 -3.565 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.722 2.692 -1.541 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.620 2.649 -3.045 1.00 0.00 H new ATOM 813 N ARG A 56 -3.768 1.846 0.153 1.00 0.00 N ATOM 814 CA ARG A 56 -4.002 1.287 1.474 1.00 0.00 C ATOM 815 C ARG A 56 -5.452 0.814 1.601 1.00 0.00 C ATOM 816 O ARG A 56 -6.367 1.629 1.709 1.00 0.00 O ATOM 817 CB ARG A 56 -3.710 2.316 2.568 1.00 0.00 C ATOM 818 CG ARG A 56 -3.490 1.632 3.919 1.00 0.00 C ATOM 819 CD ARG A 56 -2.937 2.619 4.949 1.00 0.00 C ATOM 820 NE ARG A 56 -3.817 3.806 5.036 1.00 0.00 N ATOM 821 CZ ARG A 56 -3.939 4.572 6.128 1.00 0.00 C ATOM 822 NH1 ARG A 56 -3.238 4.281 7.233 1.00 0.00 N ATOM 823 NH2 ARG A 56 -4.762 5.630 6.116 1.00 0.00 N ATOM 0 H ARG A 56 -3.654 2.859 0.133 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.328 0.440 1.600 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -2.826 2.895 2.301 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -4.540 3.018 2.643 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.431 1.216 4.278 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -2.798 0.799 3.800 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -2.865 2.137 5.924 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -1.929 2.923 4.668 1.00 0.00 H new ATOM 0 HE ARG A 56 -4.365 4.056 4.213 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -2.612 3.476 7.242 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -3.331 4.865 8.064 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -5.295 5.852 5.275 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -4.855 6.213 6.948 1.00 0.00 H new ATOM 837 N LEU A 57 -5.616 -0.500 1.582 1.00 0.00 N ATOM 838 CA LEU A 57 -6.939 -1.091 1.694 1.00 0.00 C ATOM 839 C LEU A 57 -7.620 -0.570 2.962 1.00 0.00 C ATOM 840 O LEU A 57 -8.841 -0.642 3.089 1.00 0.00 O ATOM 841 CB LEU A 57 -6.852 -2.617 1.625 1.00 0.00 C ATOM 842 CG LEU A 57 -6.345 -3.200 0.305 1.00 0.00 C ATOM 843 CD1 LEU A 57 -7.029 -2.533 -0.889 1.00 0.00 C ATOM 844 CD2 LEU A 57 -4.820 -3.109 0.215 1.00 0.00 C ATOM 0 H LEU A 57 -4.855 -1.173 1.491 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.562 -0.792 0.851 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.198 -2.961 2.426 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.842 -3.027 1.824 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.608 -4.258 0.277 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.650 -2.967 -1.814 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -8.105 -2.693 -0.828 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.820 -1.463 -0.877 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.486 -3.530 -0.733 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.514 -2.065 0.276 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.373 -3.667 1.038 1.00 0.00 H new ATOM 856 N ARG A 58 -6.799 -0.059 3.868 1.00 0.00 N ATOM 857 CA ARG A 58 -7.307 0.473 5.121 1.00 0.00 C ATOM 858 C ARG A 58 -8.433 1.474 4.855 1.00 0.00 C ATOM 859 O ARG A 58 -9.582 1.234 5.224 1.00 0.00 O ATOM 860 CB ARG A 58 -6.197 1.164 5.916 1.00 0.00 C ATOM 861 CG ARG A 58 -6.689 1.567 7.308 1.00 0.00 C ATOM 862 CD ARG A 58 -5.689 1.145 8.386 1.00 0.00 C ATOM 863 NE ARG A 58 -6.232 1.454 9.728 1.00 0.00 N ATOM 864 CZ ARG A 58 -7.178 0.730 10.341 1.00 0.00 C ATOM 865 NH1 ARG A 58 -7.693 -0.349 9.736 1.00 0.00 N ATOM 866 NH2 ARG A 58 -7.610 1.085 11.558 1.00 0.00 N ATOM 0 H ARG A 58 -5.786 -0.002 3.759 1.00 0.00 H new ATOM 0 HA ARG A 58 -7.690 -0.363 5.705 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.341 0.496 6.008 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -5.855 2.048 5.377 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -6.837 2.646 7.347 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -7.657 1.105 7.504 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.483 0.078 8.305 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -4.742 1.665 8.239 1.00 0.00 H new ATOM 0 HE ARG A 58 -5.863 2.270 10.217 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -7.365 -0.619 8.809 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -8.413 -0.900 10.203 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -7.219 1.907 12.018 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -8.330 0.534 12.024 1.00 0.00 H new ATOM 880 N ASP A 59 -8.065 2.576 4.218 1.00 0.00 N ATOM 881 CA ASP A 59 -9.030 3.614 3.899 1.00 0.00 C ATOM 882 C ASP A 59 -9.250 3.652 2.386 1.00 0.00 C ATOM 883 O ASP A 59 -10.310 4.067 1.919 1.00 0.00 O ATOM 884 CB ASP A 59 -8.523 4.990 4.337 1.00 0.00 C ATOM 885 CG ASP A 59 -9.019 5.456 5.707 1.00 0.00 C ATOM 886 OD1 ASP A 59 -9.813 4.702 6.310 1.00 0.00 O ATOM 887 OD2 ASP A 59 -8.592 6.555 6.122 1.00 0.00 O ATOM 0 H ASP A 59 -7.111 2.773 3.914 1.00 0.00 H new ATOM 0 HA ASP A 59 -9.957 3.386 4.425 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -7.433 4.972 4.349 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.822 5.725 3.590 1.00 0.00 H new ATOM 892 N GLY A 60 -8.233 3.211 1.660 1.00 0.00 N ATOM 893 CA GLY A 60 -8.303 3.189 0.209 1.00 0.00 C ATOM 894 C GLY A 60 -7.583 4.397 -0.393 1.00 0.00 C ATOM 895 O GLY A 60 -7.917 4.840 -1.491 1.00 0.00 O ATOM 0 H GLY A 60 -7.356 2.866 2.050 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.854 2.269 -0.166 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.346 3.187 -0.108 1.00 0.00 H new ATOM 899 N GLU A 61 -6.608 4.896 0.352 1.00 0.00 N ATOM 900 CA GLU A 61 -5.838 6.045 -0.095 1.00 0.00 C ATOM 901 C GLU A 61 -4.604 5.586 -0.875 1.00 0.00 C ATOM 902 O GLU A 61 -3.752 4.881 -0.338 1.00 0.00 O ATOM 903 CB GLU A 61 -5.440 6.932 1.087 1.00 0.00 C ATOM 904 CG GLU A 61 -4.208 7.774 0.750 1.00 0.00 C ATOM 905 CD GLU A 61 -4.221 9.096 1.521 1.00 0.00 C ATOM 906 OE1 GLU A 61 -4.969 9.998 1.087 1.00 0.00 O ATOM 907 OE2 GLU A 61 -3.482 9.174 2.526 1.00 0.00 O ATOM 0 H GLU A 61 -6.333 4.526 1.262 1.00 0.00 H new ATOM 0 HA GLU A 61 -6.464 6.641 -0.760 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.271 7.586 1.351 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -5.233 6.311 1.959 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.304 7.216 0.993 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.181 7.974 -0.321 1.00 0.00 H new ATOM 914 N THR A 62 -4.549 6.005 -2.131 1.00 0.00 N ATOM 915 CA THR A 62 -3.434 5.646 -2.991 1.00 0.00 C ATOM 916 C THR A 62 -2.315 6.682 -2.874 1.00 0.00 C ATOM 917 O THR A 62 -2.516 7.856 -3.183 1.00 0.00 O ATOM 918 CB THR A 62 -3.968 5.486 -4.416 1.00 0.00 C ATOM 919 OG1 THR A 62 -5.328 5.101 -4.236 1.00 0.00 O ATOM 920 CG2 THR A 62 -3.338 4.300 -5.149 1.00 0.00 C ATOM 0 H THR A 62 -5.258 6.589 -2.573 1.00 0.00 H new ATOM 0 HA THR A 62 -2.989 4.698 -2.687 1.00 0.00 H new ATOM 0 HB THR A 62 -3.780 6.401 -4.978 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.752 4.977 -5.111 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.752 4.232 -6.155 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.259 4.441 -5.210 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.553 3.380 -4.605 1.00 0.00 H new ATOM 928 N GLY A 63 -1.160 6.211 -2.428 1.00 0.00 N ATOM 929 CA GLY A 63 -0.008 7.082 -2.266 1.00 0.00 C ATOM 930 C GLY A 63 1.294 6.323 -2.528 1.00 0.00 C ATOM 931 O GLY A 63 1.270 5.159 -2.925 1.00 0.00 O ATOM 0 H GLY A 63 -0.997 5.237 -2.174 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.086 7.925 -2.952 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.003 7.492 -1.256 1.00 0.00 H new ATOM 935 N TRP A 64 2.401 7.013 -2.294 1.00 0.00 N ATOM 936 CA TRP A 64 3.711 6.419 -2.499 1.00 0.00 C ATOM 937 C TRP A 64 4.220 5.918 -1.146 1.00 0.00 C ATOM 938 O TRP A 64 4.206 6.656 -0.161 1.00 0.00 O ATOM 939 CB TRP A 64 4.665 7.411 -3.166 1.00 0.00 C ATOM 940 CG TRP A 64 4.418 7.601 -4.664 1.00 0.00 C ATOM 941 CD1 TRP A 64 3.634 8.509 -5.262 1.00 0.00 C ATOM 942 CD2 TRP A 64 4.992 6.824 -5.736 1.00 0.00 C ATOM 943 NE1 TRP A 64 3.661 8.375 -6.636 1.00 0.00 N ATOM 944 CE2 TRP A 64 4.514 7.318 -6.933 1.00 0.00 C ATOM 945 CE3 TRP A 64 5.887 5.741 -5.695 1.00 0.00 C ATOM 946 CZ2 TRP A 64 4.873 6.789 -8.178 1.00 0.00 C ATOM 947 CZ3 TRP A 64 6.237 5.224 -6.949 1.00 0.00 C ATOM 948 CH2 TRP A 64 5.764 5.709 -8.162 1.00 0.00 C ATOM 0 H TRP A 64 2.417 7.978 -1.964 1.00 0.00 H new ATOM 0 HA TRP A 64 3.647 5.572 -3.183 1.00 0.00 H new ATOM 0 HB2 TRP A 64 4.575 8.376 -2.668 1.00 0.00 H new ATOM 0 HB3 TRP A 64 5.690 7.070 -3.018 1.00 0.00 H new ATOM 0 HD1 TRP A 64 3.054 9.252 -4.735 1.00 0.00 H new ATOM 0 HE1 TRP A 64 3.150 8.946 -7.309 1.00 0.00 H new ATOM 0 HE3 TRP A 64 6.274 5.339 -4.770 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 4.484 7.192 -9.101 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 6.923 4.390 -6.975 1.00 0.00 H new ATOM 0 HH2 TRP A 64 6.082 5.255 -9.089 1.00 0.00 H new ATOM 959 N PHE A 65 4.658 4.668 -1.140 1.00 0.00 N ATOM 960 CA PHE A 65 5.170 4.060 0.076 1.00 0.00 C ATOM 961 C PHE A 65 6.455 3.277 -0.202 1.00 0.00 C ATOM 962 O PHE A 65 6.516 2.490 -1.145 1.00 0.00 O ATOM 963 CB PHE A 65 4.097 3.092 0.579 1.00 0.00 C ATOM 964 CG PHE A 65 4.121 1.725 -0.106 1.00 0.00 C ATOM 965 CD1 PHE A 65 5.127 0.849 0.159 1.00 0.00 C ATOM 966 CD2 PHE A 65 3.136 1.385 -0.980 1.00 0.00 C ATOM 967 CE1 PHE A 65 5.149 -0.420 -0.477 1.00 0.00 C ATOM 968 CE2 PHE A 65 3.158 0.116 -1.617 1.00 0.00 C ATOM 969 CZ PHE A 65 4.164 -0.760 -1.352 1.00 0.00 C ATOM 0 H PHE A 65 4.669 4.059 -1.958 1.00 0.00 H new ATOM 0 HA PHE A 65 5.398 4.833 0.810 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.224 2.951 1.652 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.116 3.544 0.431 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.909 1.119 0.853 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.337 2.080 -1.190 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.948 -1.116 -0.266 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.376 -0.153 -2.312 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.181 -1.725 -1.836 1.00 0.00 H new ATOM 979 N PRO A 66 7.478 3.527 0.660 1.00 0.00 N ATOM 980 CA PRO A 66 8.758 2.855 0.517 1.00 0.00 C ATOM 981 C PRO A 66 8.670 1.402 0.988 1.00 0.00 C ATOM 982 O PRO A 66 7.874 1.078 1.868 1.00 0.00 O ATOM 983 CB PRO A 66 9.732 3.686 1.335 1.00 0.00 C ATOM 984 CG PRO A 66 8.880 4.520 2.277 1.00 0.00 C ATOM 985 CD PRO A 66 7.442 4.452 1.789 1.00 0.00 C ATOM 0 HA PRO A 66 9.085 2.789 -0.521 1.00 0.00 H new ATOM 0 HB2 PRO A 66 10.419 3.048 1.891 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.339 4.322 0.691 1.00 0.00 H new ATOM 0 HG2 PRO A 66 8.955 4.141 3.296 1.00 0.00 H new ATOM 0 HG3 PRO A 66 9.229 5.553 2.294 1.00 0.00 H new ATOM 0 HD2 PRO A 66 6.774 4.095 2.573 1.00 0.00 H new ATOM 0 HD3 PRO A 66 7.080 5.434 1.485 1.00 0.00 H new ATOM 993 N GLU A 67 9.499 0.565 0.380 1.00 0.00 N ATOM 994 CA GLU A 67 9.525 -0.846 0.726 1.00 0.00 C ATOM 995 C GLU A 67 10.127 -1.040 2.119 1.00 0.00 C ATOM 996 O GLU A 67 9.703 -1.921 2.866 1.00 0.00 O ATOM 997 CB GLU A 67 10.294 -1.653 -0.321 1.00 0.00 C ATOM 998 CG GLU A 67 11.604 -0.957 -0.696 1.00 0.00 C ATOM 999 CD GLU A 67 12.788 -1.921 -0.586 1.00 0.00 C ATOM 1000 OE1 GLU A 67 13.205 -2.178 0.564 1.00 0.00 O ATOM 1001 OE2 GLU A 67 13.249 -2.378 -1.654 1.00 0.00 O ATOM 0 H GLU A 67 10.157 0.837 -0.350 1.00 0.00 H new ATOM 0 HA GLU A 67 8.500 -1.216 0.740 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.505 -2.650 0.066 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.678 -1.781 -1.211 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.537 -0.572 -1.714 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.765 -0.101 -0.041 1.00 0.00 H new ATOM 1008 N ASP A 68 11.106 -0.202 2.427 1.00 0.00 N ATOM 1009 CA ASP A 68 11.771 -0.270 3.718 1.00 0.00 C ATOM 1010 C ASP A 68 10.719 -0.293 4.828 1.00 0.00 C ATOM 1011 O ASP A 68 10.942 -0.878 5.887 1.00 0.00 O ATOM 1012 CB ASP A 68 12.667 0.950 3.941 1.00 0.00 C ATOM 1013 CG ASP A 68 14.108 0.629 4.343 1.00 0.00 C ATOM 1014 OD1 ASP A 68 14.436 -0.577 4.366 1.00 0.00 O ATOM 1015 OD2 ASP A 68 14.849 1.597 4.618 1.00 0.00 O ATOM 0 H ASP A 68 11.455 0.527 1.805 1.00 0.00 H new ATOM 0 HA ASP A 68 12.381 -1.173 3.736 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.684 1.542 3.026 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.220 1.574 4.715 1.00 0.00 H new ATOM 1020 N PHE A 69 9.595 0.350 4.548 1.00 0.00 N ATOM 1021 CA PHE A 69 8.508 0.410 5.510 1.00 0.00 C ATOM 1022 C PHE A 69 7.404 -0.587 5.154 1.00 0.00 C ATOM 1023 O PHE A 69 6.243 -0.387 5.508 1.00 0.00 O ATOM 1024 CB PHE A 69 7.936 1.828 5.451 1.00 0.00 C ATOM 1025 CG PHE A 69 8.914 2.913 5.906 1.00 0.00 C ATOM 1026 CD1 PHE A 69 10.043 3.157 5.187 1.00 0.00 C ATOM 1027 CD2 PHE A 69 8.654 3.635 7.029 1.00 0.00 C ATOM 1028 CE1 PHE A 69 10.950 4.164 5.610 1.00 0.00 C ATOM 1029 CE2 PHE A 69 9.562 4.642 7.452 1.00 0.00 C ATOM 1030 CZ PHE A 69 10.691 4.885 6.733 1.00 0.00 C ATOM 0 H PHE A 69 9.414 0.834 3.669 1.00 0.00 H new ATOM 0 HA PHE A 69 8.878 0.161 6.505 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.624 2.040 4.429 1.00 0.00 H new ATOM 0 HB3 PHE A 69 7.042 1.874 6.073 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.249 2.585 4.295 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.757 3.443 7.599 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.846 4.357 5.039 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.356 5.215 8.344 1.00 0.00 H new ATOM 0 HZ PHE A 69 11.382 5.651 7.054 1.00 0.00 H new ATOM 1040 N ALA A 70 7.805 -1.641 4.458 1.00 0.00 N ATOM 1041 CA ALA A 70 6.865 -2.670 4.049 1.00 0.00 C ATOM 1042 C ALA A 70 7.618 -3.982 3.822 1.00 0.00 C ATOM 1043 O ALA A 70 8.842 -3.987 3.701 1.00 0.00 O ATOM 1044 CB ALA A 70 6.111 -2.207 2.801 1.00 0.00 C ATOM 0 H ALA A 70 8.769 -1.804 4.167 1.00 0.00 H new ATOM 0 HA ALA A 70 6.125 -2.846 4.830 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.406 -2.980 2.494 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.569 -1.288 3.024 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.821 -2.023 1.994 1.00 0.00 H new ATOM 1050 N ARG A 71 6.855 -5.065 3.772 1.00 0.00 N ATOM 1051 CA ARG A 71 7.436 -6.380 3.562 1.00 0.00 C ATOM 1052 C ARG A 71 6.647 -7.144 2.496 1.00 0.00 C ATOM 1053 O ARG A 71 5.526 -7.583 2.744 1.00 0.00 O ATOM 1054 CB ARG A 71 7.445 -7.192 4.859 1.00 0.00 C ATOM 1055 CG ARG A 71 8.708 -6.908 5.675 1.00 0.00 C ATOM 1056 CD ARG A 71 8.971 -8.027 6.685 1.00 0.00 C ATOM 1057 NE ARG A 71 7.977 -7.964 7.779 1.00 0.00 N ATOM 1058 CZ ARG A 71 7.659 -9.002 8.565 1.00 0.00 C ATOM 1059 NH1 ARG A 71 8.255 -10.188 8.382 1.00 0.00 N ATOM 1060 NH2 ARG A 71 6.745 -8.854 9.534 1.00 0.00 N ATOM 0 H ARG A 71 5.840 -5.058 3.873 1.00 0.00 H new ATOM 0 HA ARG A 71 8.464 -6.239 3.228 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.563 -6.948 5.451 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.389 -8.256 4.627 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.563 -6.809 5.006 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.601 -5.958 6.199 1.00 0.00 H new ATOM 0 HD2 ARG A 71 8.917 -8.996 6.189 1.00 0.00 H new ATOM 0 HD3 ARG A 71 9.978 -7.932 7.091 1.00 0.00 H new ATOM 0 HE ARG A 71 7.504 -7.076 7.945 1.00 0.00 H new ATOM 0 HH11 ARG A 71 8.951 -10.301 7.645 1.00 0.00 H new ATOM 0 HH12 ARG A 71 8.013 -10.978 8.980 1.00 0.00 H new ATOM 0 HH21 ARG A 71 6.291 -7.951 9.673 1.00 0.00 H new ATOM 0 HH22 ARG A 71 6.503 -9.644 10.132 1.00 0.00 H new ATOM 1074 N PHE A 72 7.265 -7.278 1.332 1.00 0.00 N ATOM 1075 CA PHE A 72 6.635 -7.981 0.227 1.00 0.00 C ATOM 1076 C PHE A 72 6.165 -9.372 0.659 1.00 0.00 C ATOM 1077 O PHE A 72 6.978 -10.275 0.849 1.00 0.00 O ATOM 1078 CB PHE A 72 7.693 -8.131 -0.869 1.00 0.00 C ATOM 1079 CG PHE A 72 7.644 -7.034 -1.935 1.00 0.00 C ATOM 1080 CD1 PHE A 72 6.734 -7.106 -2.943 1.00 0.00 C ATOM 1081 CD2 PHE A 72 8.510 -5.988 -1.873 1.00 0.00 C ATOM 1082 CE1 PHE A 72 6.689 -6.088 -3.932 1.00 0.00 C ATOM 1083 CE2 PHE A 72 8.465 -4.970 -2.862 1.00 0.00 C ATOM 1084 CZ PHE A 72 7.555 -5.041 -3.871 1.00 0.00 C ATOM 0 H PHE A 72 8.195 -6.912 1.130 1.00 0.00 H new ATOM 0 HA PHE A 72 5.765 -7.424 -0.121 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.681 -8.132 -0.408 1.00 0.00 H new ATOM 0 HB3 PHE A 72 7.566 -9.099 -1.353 1.00 0.00 H new ATOM 0 HD1 PHE A 72 6.046 -7.937 -2.991 1.00 0.00 H new ATOM 0 HD2 PHE A 72 9.232 -5.931 -1.072 1.00 0.00 H new ATOM 0 HE1 PHE A 72 5.967 -6.145 -4.733 1.00 0.00 H new ATOM 0 HE2 PHE A 72 9.153 -4.139 -2.813 1.00 0.00 H new ATOM 0 HZ PHE A 72 7.520 -4.267 -4.623 1.00 0.00 H new