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= -1.14 X(o=-1.1,f=-0.98) USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.545 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 X(o=0,f=0) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.00843 USER MOD Single : A 37 GLN : amide:sc= -0.599 X(o=-0.6,f=-0.31) USER MOD Single : A 38 GLN : amide:sc= -0.364 K(o=-0.36,f=-3!) USER MOD Single : A 46 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 47 GLN : amide:sc= -0.924 X(o=-0.92,f=-0.54) USER MOD Single : A 53 TYR OH : rot 180:sc= -0.12 USER MOD Single : A 62 THR OG1 : rot 180:sc= -0.0584 USER MOD ----------------------------------------------------------------- ATOM 229 N GLN A 19 1.388 -7.385 -2.620 1.00 0.00 N ATOM 230 CA GLN A 19 0.990 -6.696 -1.404 1.00 0.00 C ATOM 231 C GLN A 19 2.128 -6.724 -0.382 1.00 0.00 C ATOM 232 O GLN A 19 2.841 -7.719 -0.269 1.00 0.00 O ATOM 233 CB GLN A 19 -0.286 -7.306 -0.821 1.00 0.00 C ATOM 234 CG GLN A 19 -1.514 -6.889 -1.633 1.00 0.00 C ATOM 235 CD GLN A 19 -2.793 -7.476 -1.033 1.00 0.00 C ATOM 236 OE1 GLN A 19 -2.915 -7.672 0.165 1.00 0.00 O ATOM 237 NE2 GLN A 19 -3.737 -7.746 -1.931 1.00 0.00 N ATOM 0 HA GLN A 19 0.776 -5.656 -1.652 1.00 0.00 H new ATOM 0 HB2 GLN A 19 -0.203 -8.393 -0.813 1.00 0.00 H new ATOM 0 HB3 GLN A 19 -0.405 -6.988 0.215 1.00 0.00 H new ATOM 0 HG2 GLN A 19 -1.586 -5.802 -1.658 1.00 0.00 H new ATOM 0 HG3 GLN A 19 -1.404 -7.225 -2.664 1.00 0.00 H new ATOM 0 HE21 GLN A 19 -3.570 -7.557 -2.919 1.00 0.00 H new ATOM 0 HE22 GLN A 19 -4.628 -8.142 -1.631 1.00 0.00 H new ATOM 246 N VAL A 20 2.261 -5.619 0.337 1.00 0.00 N ATOM 247 CA VAL A 20 3.300 -5.504 1.347 1.00 0.00 C ATOM 248 C VAL A 20 2.671 -5.073 2.673 1.00 0.00 C ATOM 249 O VAL A 20 1.757 -4.250 2.693 1.00 0.00 O ATOM 250 CB VAL A 20 4.394 -4.548 0.865 1.00 0.00 C ATOM 251 CG1 VAL A 20 5.005 -5.033 -0.451 1.00 0.00 C ATOM 252 CG2 VAL A 20 3.855 -3.123 0.728 1.00 0.00 C ATOM 0 H VAL A 20 1.667 -4.796 0.240 1.00 0.00 H new ATOM 0 HA VAL A 20 3.780 -6.469 1.514 1.00 0.00 H new ATOM 0 HB VAL A 20 5.184 -4.536 1.616 1.00 0.00 H new ATOM 0 HG11 VAL A 20 5.779 -4.336 -0.771 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.443 -6.021 -0.307 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.229 -5.088 -1.214 1.00 0.00 H new ATOM 0 HG21 VAL A 20 4.652 -2.464 0.384 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.038 -3.111 0.007 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.490 -2.777 1.695 1.00 0.00 H new ATOM 262 N GLU A 21 3.185 -5.649 3.750 1.00 0.00 N ATOM 263 CA GLU A 21 2.685 -5.335 5.078 1.00 0.00 C ATOM 264 C GLU A 21 3.572 -4.280 5.743 1.00 0.00 C ATOM 265 O GLU A 21 4.748 -4.528 6.003 1.00 0.00 O ATOM 266 CB GLU A 21 2.590 -6.595 5.940 1.00 0.00 C ATOM 267 CG GLU A 21 1.977 -6.280 7.306 1.00 0.00 C ATOM 268 CD GLU A 21 1.433 -7.547 7.968 1.00 0.00 C ATOM 269 OE1 GLU A 21 2.192 -8.540 8.004 1.00 0.00 O ATOM 270 OE2 GLU A 21 0.270 -7.495 8.423 1.00 0.00 O ATOM 0 H GLU A 21 3.943 -6.331 3.730 1.00 0.00 H new ATOM 0 HA GLU A 21 1.679 -4.926 4.980 1.00 0.00 H new ATOM 0 HB2 GLU A 21 1.985 -7.344 5.430 1.00 0.00 H new ATOM 0 HB3 GLU A 21 3.583 -7.024 6.073 1.00 0.00 H new ATOM 0 HG2 GLU A 21 2.729 -5.823 7.949 1.00 0.00 H new ATOM 0 HG3 GLU A 21 1.174 -5.553 7.189 1.00 0.00 H new ATOM 277 N ILE A 22 2.974 -3.126 5.999 1.00 0.00 N ATOM 278 CA ILE A 22 3.694 -2.033 6.629 1.00 0.00 C ATOM 279 C ILE A 22 4.123 -2.455 8.037 1.00 0.00 C ATOM 280 O ILE A 22 3.297 -2.527 8.945 1.00 0.00 O ATOM 281 CB ILE A 22 2.859 -0.752 6.599 1.00 0.00 C ATOM 282 CG1 ILE A 22 2.423 -0.416 5.171 1.00 0.00 C ATOM 283 CG2 ILE A 22 3.608 0.407 7.258 1.00 0.00 C ATOM 284 CD1 ILE A 22 3.634 -0.283 4.245 1.00 0.00 C ATOM 0 H ILE A 22 1.998 -2.924 5.781 1.00 0.00 H new ATOM 0 HA ILE A 22 4.603 -1.806 6.072 1.00 0.00 H new ATOM 0 HB ILE A 22 1.953 -0.921 7.181 1.00 0.00 H new ATOM 0 HG12 ILE A 22 1.759 -1.195 4.797 1.00 0.00 H new ATOM 0 HG13 ILE A 22 1.856 0.515 5.170 1.00 0.00 H new ATOM 0 HG21 ILE A 22 2.992 1.305 7.223 1.00 0.00 H new ATOM 0 HG22 ILE A 22 3.825 0.156 8.296 1.00 0.00 H new ATOM 0 HG23 ILE A 22 4.542 0.587 6.725 1.00 0.00 H new ATOM 0 HD11 ILE A 22 3.296 -0.044 3.237 1.00 0.00 H new ATOM 0 HD12 ILE A 22 4.284 0.513 4.608 1.00 0.00 H new ATOM 0 HD13 ILE A 22 4.185 -1.223 4.230 1.00 0.00 H new ATOM 296 N THR A 23 5.413 -2.722 8.173 1.00 0.00 N ATOM 297 CA THR A 23 5.961 -3.134 9.454 1.00 0.00 C ATOM 298 C THR A 23 5.745 -2.041 10.502 1.00 0.00 C ATOM 299 O THR A 23 5.257 -2.315 11.598 1.00 0.00 O ATOM 300 CB THR A 23 7.433 -3.494 9.245 1.00 0.00 C ATOM 301 OG1 THR A 23 8.061 -2.244 8.973 1.00 0.00 O ATOM 302 CG2 THR A 23 7.661 -4.310 7.971 1.00 0.00 C ATOM 0 H THR A 23 6.095 -2.661 7.417 1.00 0.00 H new ATOM 0 HA THR A 23 5.448 -4.015 9.839 1.00 0.00 H new ATOM 0 HB THR A 23 7.795 -4.056 10.106 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.020 -2.385 8.826 1.00 0.00 H new ATOM 0 HG21 THR A 23 8.722 -4.539 7.870 1.00 0.00 H new ATOM 0 HG22 THR A 23 7.093 -5.239 8.027 1.00 0.00 H new ATOM 0 HG23 THR A 23 7.330 -3.735 7.106 1.00 0.00 H new ATOM 310 N LYS A 24 6.120 -0.826 10.130 1.00 0.00 N ATOM 311 CA LYS A 24 5.974 0.309 11.025 1.00 0.00 C ATOM 312 C LYS A 24 5.230 1.432 10.299 1.00 0.00 C ATOM 313 O LYS A 24 5.260 1.510 9.072 1.00 0.00 O ATOM 314 CB LYS A 24 7.335 0.732 11.580 1.00 0.00 C ATOM 315 CG LYS A 24 8.172 1.432 10.507 1.00 0.00 C ATOM 316 CD LYS A 24 9.345 0.554 10.067 1.00 0.00 C ATOM 317 CE LYS A 24 10.575 1.405 9.742 1.00 0.00 C ATOM 318 NZ LYS A 24 11.541 1.367 10.862 1.00 0.00 N ATOM 0 H LYS A 24 6.525 -0.603 9.221 1.00 0.00 H new ATOM 0 HA LYS A 24 5.373 0.036 11.892 1.00 0.00 H new ATOM 0 HB2 LYS A 24 7.193 1.400 12.429 1.00 0.00 H new ATOM 0 HB3 LYS A 24 7.869 -0.144 11.949 1.00 0.00 H new ATOM 0 HG2 LYS A 24 7.545 1.665 9.646 1.00 0.00 H new ATOM 0 HG3 LYS A 24 8.547 2.379 10.894 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.588 -0.157 10.857 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.059 -0.028 9.191 1.00 0.00 H new ATOM 0 HE2 LYS A 24 11.049 1.037 8.832 1.00 0.00 H new ATOM 0 HE3 LYS A 24 10.272 2.434 9.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 12.370 1.949 10.626 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 11.090 1.739 11.722 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.843 0.386 11.027 1.00 0.00 H new ATOM 332 N ALA A 25 4.580 2.274 11.089 1.00 0.00 N ATOM 333 CA ALA A 25 3.830 3.390 10.537 1.00 0.00 C ATOM 334 C ALA A 25 4.764 4.260 9.695 1.00 0.00 C ATOM 335 O ALA A 25 5.941 4.407 10.018 1.00 0.00 O ATOM 336 CB ALA A 25 3.169 4.173 11.674 1.00 0.00 C ATOM 0 H ALA A 25 4.557 2.206 12.106 1.00 0.00 H new ATOM 0 HA ALA A 25 3.035 3.032 9.883 1.00 0.00 H new ATOM 0 HB1 ALA A 25 2.606 5.010 11.260 1.00 0.00 H new ATOM 0 HB2 ALA A 25 2.493 3.517 12.222 1.00 0.00 H new ATOM 0 HB3 ALA A 25 3.936 4.550 12.350 1.00 0.00 H new ATOM 342 N PHE A 26 4.203 4.815 8.630 1.00 0.00 N ATOM 343 CA PHE A 26 4.971 5.667 7.739 1.00 0.00 C ATOM 344 C PHE A 26 4.336 7.055 7.624 1.00 0.00 C ATOM 345 O PHE A 26 3.542 7.305 6.718 1.00 0.00 O ATOM 346 CB PHE A 26 4.961 4.999 6.362 1.00 0.00 C ATOM 347 CG PHE A 26 5.424 5.911 5.224 1.00 0.00 C ATOM 348 CD1 PHE A 26 6.590 6.602 5.339 1.00 0.00 C ATOM 349 CD2 PHE A 26 4.670 6.031 4.099 1.00 0.00 C ATOM 350 CE1 PHE A 26 7.020 7.449 4.283 1.00 0.00 C ATOM 351 CE2 PHE A 26 5.100 6.878 3.043 1.00 0.00 C ATOM 352 CZ PHE A 26 6.266 7.569 3.157 1.00 0.00 C ATOM 0 H PHE A 26 3.226 4.691 8.365 1.00 0.00 H new ATOM 0 HA PHE A 26 5.983 5.791 8.124 1.00 0.00 H new ATOM 0 HB2 PHE A 26 5.603 4.119 6.392 1.00 0.00 H new ATOM 0 HB3 PHE A 26 3.951 4.650 6.146 1.00 0.00 H new ATOM 0 HD1 PHE A 26 7.189 6.507 6.233 1.00 0.00 H new ATOM 0 HD2 PHE A 26 3.744 5.482 4.008 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.946 7.998 4.374 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.501 6.973 2.149 1.00 0.00 H new ATOM 0 HZ PHE A 26 6.593 8.213 2.354 1.00 0.00 H new ATOM 362 N PHE A 27 4.709 7.920 8.555 1.00 0.00 N ATOM 363 CA PHE A 27 4.186 9.275 8.570 1.00 0.00 C ATOM 364 C PHE A 27 4.563 10.023 7.289 1.00 0.00 C ATOM 365 O PHE A 27 5.667 10.556 7.180 1.00 0.00 O ATOM 366 CB PHE A 27 4.819 9.987 9.767 1.00 0.00 C ATOM 367 CG PHE A 27 4.494 9.343 11.117 1.00 0.00 C ATOM 368 CD1 PHE A 27 3.219 8.962 11.398 1.00 0.00 C ATOM 369 CD2 PHE A 27 5.479 9.153 12.035 1.00 0.00 C ATOM 370 CE1 PHE A 27 2.916 8.365 12.651 1.00 0.00 C ATOM 371 CE2 PHE A 27 5.176 8.556 13.287 1.00 0.00 C ATOM 372 CZ PHE A 27 3.902 8.175 13.569 1.00 0.00 C ATOM 0 H PHE A 27 5.368 7.709 9.305 1.00 0.00 H new ATOM 0 HA PHE A 27 3.098 9.252 8.639 1.00 0.00 H new ATOM 0 HB2 PHE A 27 5.901 10.005 9.636 1.00 0.00 H new ATOM 0 HB3 PHE A 27 4.482 11.024 9.780 1.00 0.00 H new ATOM 0 HD1 PHE A 27 2.437 9.113 10.669 1.00 0.00 H new ATOM 0 HD2 PHE A 27 6.491 9.456 11.812 1.00 0.00 H new ATOM 0 HE1 PHE A 27 1.904 8.062 12.875 1.00 0.00 H new ATOM 0 HE2 PHE A 27 5.958 8.404 14.016 1.00 0.00 H new ATOM 0 HZ PHE A 27 3.672 7.721 14.522 1.00 0.00 H new ATOM 382 N ALA A 28 3.626 10.039 6.353 1.00 0.00 N ATOM 383 CA ALA A 28 3.847 10.712 5.084 1.00 0.00 C ATOM 384 C ALA A 28 4.262 12.161 5.347 1.00 0.00 C ATOM 385 O ALA A 28 3.646 12.850 6.158 1.00 0.00 O ATOM 386 CB ALA A 28 2.583 10.614 4.228 1.00 0.00 C ATOM 0 H ALA A 28 2.712 9.597 6.448 1.00 0.00 H new ATOM 0 HA ALA A 28 4.654 10.233 4.530 1.00 0.00 H new ATOM 0 HB1 ALA A 28 2.748 11.119 3.276 1.00 0.00 H new ATOM 0 HB2 ALA A 28 2.347 9.565 4.047 1.00 0.00 H new ATOM 0 HB3 ALA A 28 1.752 11.088 4.750 1.00 0.00 H new ATOM 392 N LYS A 29 5.305 12.580 4.645 1.00 0.00 N ATOM 393 CA LYS A 29 5.811 13.934 4.792 1.00 0.00 C ATOM 394 C LYS A 29 5.466 14.741 3.538 1.00 0.00 C ATOM 395 O LYS A 29 5.202 15.940 3.621 1.00 0.00 O ATOM 396 CB LYS A 29 7.305 13.916 5.119 1.00 0.00 C ATOM 397 CG LYS A 29 8.137 13.617 3.870 1.00 0.00 C ATOM 398 CD LYS A 29 8.835 14.880 3.362 1.00 0.00 C ATOM 399 CE LYS A 29 10.312 14.889 3.764 1.00 0.00 C ATOM 400 NZ LYS A 29 10.547 15.868 4.848 1.00 0.00 N ATOM 0 H LYS A 29 5.813 12.005 3.973 1.00 0.00 H new ATOM 0 HA LYS A 29 5.330 14.431 5.635 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.601 14.879 5.536 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.505 13.164 5.882 1.00 0.00 H new ATOM 0 HG2 LYS A 29 8.880 12.853 4.098 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.494 13.213 3.088 1.00 0.00 H new ATOM 0 HD2 LYS A 29 8.749 14.936 2.277 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.339 15.762 3.767 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.612 13.894 4.093 1.00 0.00 H new ATOM 0 HE3 LYS A 29 10.929 15.138 2.901 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 11.554 15.862 5.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 10.280 16.819 4.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 9.973 15.613 5.677 1.00 0.00 H new ATOM 414 N GLN A 30 5.479 14.052 2.407 1.00 0.00 N ATOM 415 CA GLN A 30 5.170 14.689 1.138 1.00 0.00 C ATOM 416 C GLN A 30 3.684 14.528 0.811 1.00 0.00 C ATOM 417 O GLN A 30 2.945 13.892 1.560 1.00 0.00 O ATOM 418 CB GLN A 30 6.044 14.126 0.015 1.00 0.00 C ATOM 419 CG GLN A 30 7.412 14.810 -0.010 1.00 0.00 C ATOM 420 CD GLN A 30 7.886 15.035 -1.447 1.00 0.00 C ATOM 421 OE1 GLN A 30 8.577 14.220 -2.036 1.00 0.00 O ATOM 422 NE2 GLN A 30 7.477 16.184 -1.977 1.00 0.00 N ATOM 0 H GLN A 30 5.699 13.058 2.343 1.00 0.00 H new ATOM 0 HA GLN A 30 5.389 15.753 1.225 1.00 0.00 H new ATOM 0 HB2 GLN A 30 6.173 13.052 0.153 1.00 0.00 H new ATOM 0 HB3 GLN A 30 5.545 14.267 -0.944 1.00 0.00 H new ATOM 0 HG2 GLN A 30 7.354 15.765 0.512 1.00 0.00 H new ATOM 0 HG3 GLN A 30 8.138 14.198 0.525 1.00 0.00 H new ATOM 0 HE21 GLN A 30 6.900 16.822 -1.429 1.00 0.00 H new ATOM 0 HE22 GLN A 30 7.740 16.428 -2.932 1.00 0.00 H new ATOM 431 N ALA A 31 3.291 15.116 -0.310 1.00 0.00 N ATOM 432 CA ALA A 31 1.907 15.046 -0.746 1.00 0.00 C ATOM 433 C ALA A 31 1.721 13.820 -1.642 1.00 0.00 C ATOM 434 O ALA A 31 0.601 13.500 -2.037 1.00 0.00 O ATOM 435 CB ALA A 31 1.528 16.348 -1.454 1.00 0.00 C ATOM 0 H ALA A 31 3.907 15.643 -0.929 1.00 0.00 H new ATOM 0 HA ALA A 31 1.240 14.934 0.109 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.490 16.295 -1.781 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.650 17.185 -0.766 1.00 0.00 H new ATOM 0 HB3 ALA A 31 2.174 16.493 -2.320 1.00 0.00 H new ATOM 441 N ASP A 32 2.836 13.167 -1.937 1.00 0.00 N ATOM 442 CA ASP A 32 2.809 11.984 -2.780 1.00 0.00 C ATOM 443 C ASP A 32 2.792 10.735 -1.896 1.00 0.00 C ATOM 444 O ASP A 32 2.371 9.665 -2.335 1.00 0.00 O ATOM 445 CB ASP A 32 4.050 11.914 -3.671 1.00 0.00 C ATOM 446 CG ASP A 32 5.331 12.467 -3.042 1.00 0.00 C ATOM 447 OD1 ASP A 32 5.809 11.832 -2.078 1.00 0.00 O ATOM 448 OD2 ASP A 32 5.802 13.513 -3.540 1.00 0.00 O ATOM 0 H ASP A 32 3.763 13.435 -1.607 1.00 0.00 H new ATOM 0 HA ASP A 32 1.918 12.036 -3.406 1.00 0.00 H new ATOM 0 HB2 ASP A 32 4.220 10.874 -3.950 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.849 12.462 -4.591 1.00 0.00 H new ATOM 453 N GLU A 33 3.253 10.912 -0.667 1.00 0.00 N ATOM 454 CA GLU A 33 3.296 9.812 0.282 1.00 0.00 C ATOM 455 C GLU A 33 1.932 9.639 0.955 1.00 0.00 C ATOM 456 O GLU A 33 1.041 10.468 0.781 1.00 0.00 O ATOM 457 CB GLU A 33 4.397 10.028 1.323 1.00 0.00 C ATOM 458 CG GLU A 33 5.777 10.056 0.663 1.00 0.00 C ATOM 459 CD GLU A 33 6.753 10.914 1.470 1.00 0.00 C ATOM 460 OE1 GLU A 33 6.414 11.216 2.634 1.00 0.00 O ATOM 461 OE2 GLU A 33 7.817 11.247 0.904 1.00 0.00 O ATOM 0 H GLU A 33 3.600 11.801 -0.306 1.00 0.00 H new ATOM 0 HA GLU A 33 3.531 8.897 -0.262 1.00 0.00 H new ATOM 0 HB2 GLU A 33 4.224 10.965 1.852 1.00 0.00 H new ATOM 0 HB3 GLU A 33 4.361 9.231 2.066 1.00 0.00 H new ATOM 0 HG2 GLU A 33 6.164 9.041 0.578 1.00 0.00 H new ATOM 0 HG3 GLU A 33 5.692 10.450 -0.350 1.00 0.00 H new ATOM 468 N VAL A 34 1.814 8.555 1.709 1.00 0.00 N ATOM 469 CA VAL A 34 0.574 8.262 2.408 1.00 0.00 C ATOM 470 C VAL A 34 0.896 7.650 3.773 1.00 0.00 C ATOM 471 O VAL A 34 1.808 6.832 3.890 1.00 0.00 O ATOM 472 CB VAL A 34 -0.314 7.365 1.544 1.00 0.00 C ATOM 473 CG1 VAL A 34 0.466 6.152 1.031 1.00 0.00 C ATOM 474 CG2 VAL A 34 -1.563 6.928 2.312 1.00 0.00 C ATOM 0 H VAL A 34 2.556 7.870 1.851 1.00 0.00 H new ATOM 0 HA VAL A 34 0.010 9.178 2.587 1.00 0.00 H new ATOM 0 HB VAL A 34 -0.637 7.946 0.680 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -0.188 5.531 0.420 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.311 6.490 0.431 1.00 0.00 H new ATOM 0 HG13 VAL A 34 0.832 5.570 1.877 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -2.177 6.291 1.675 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.267 6.373 3.202 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.136 7.808 2.606 1.00 0.00 H new ATOM 484 N THR A 35 0.131 8.069 4.769 1.00 0.00 N ATOM 485 CA THR A 35 0.323 7.572 6.121 1.00 0.00 C ATOM 486 C THR A 35 -0.151 6.122 6.228 1.00 0.00 C ATOM 487 O THR A 35 -1.212 5.772 5.713 1.00 0.00 O ATOM 488 CB THR A 35 -0.399 8.520 7.081 1.00 0.00 C ATOM 489 OG1 THR A 35 -0.138 9.817 6.550 1.00 0.00 O ATOM 490 CG2 THR A 35 0.244 8.550 8.469 1.00 0.00 C ATOM 0 H THR A 35 -0.624 8.748 4.667 1.00 0.00 H new ATOM 0 HA THR A 35 1.379 7.557 6.390 1.00 0.00 H new ATOM 0 HB THR A 35 -1.443 8.219 7.171 1.00 0.00 H new ATOM 0 HG1 THR A 35 -0.571 10.494 7.111 1.00 0.00 H new ATOM 0 HG21 THR A 35 -0.307 9.238 9.110 1.00 0.00 H new ATOM 0 HG22 THR A 35 0.219 7.550 8.903 1.00 0.00 H new ATOM 0 HG23 THR A 35 1.278 8.883 8.384 1.00 0.00 H new ATOM 498 N LEU A 36 0.658 5.317 6.901 1.00 0.00 N ATOM 499 CA LEU A 36 0.334 3.912 7.083 1.00 0.00 C ATOM 500 C LEU A 36 0.517 3.537 8.555 1.00 0.00 C ATOM 501 O LEU A 36 1.236 4.215 9.287 1.00 0.00 O ATOM 502 CB LEU A 36 1.150 3.045 6.121 1.00 0.00 C ATOM 503 CG LEU A 36 1.317 3.592 4.702 1.00 0.00 C ATOM 504 CD1 LEU A 36 2.632 3.117 4.082 1.00 0.00 C ATOM 505 CD2 LEU A 36 0.110 3.235 3.832 1.00 0.00 C ATOM 0 H LEU A 36 1.537 5.611 7.327 1.00 0.00 H new ATOM 0 HA LEU A 36 -0.711 3.727 6.834 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.141 2.895 6.550 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.678 2.064 6.058 1.00 0.00 H new ATOM 0 HG LEU A 36 1.363 4.680 4.758 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.725 3.520 3.074 1.00 0.00 H new ATOM 0 HD12 LEU A 36 3.467 3.464 4.690 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.642 2.028 4.040 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.254 3.635 2.828 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.008 2.151 3.779 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.792 3.664 4.268 1.00 0.00 H new ATOM 517 N GLN A 37 -0.145 2.457 8.944 1.00 0.00 N ATOM 518 CA GLN A 37 -0.064 1.984 10.316 1.00 0.00 C ATOM 519 C GLN A 37 0.709 0.665 10.377 1.00 0.00 C ATOM 520 O GLN A 37 0.864 -0.016 9.365 1.00 0.00 O ATOM 521 CB GLN A 37 -1.459 1.831 10.926 1.00 0.00 C ATOM 522 CG GLN A 37 -2.051 3.194 11.291 1.00 0.00 C ATOM 523 CD GLN A 37 -1.246 3.859 12.409 1.00 0.00 C ATOM 524 OE1 GLN A 37 -1.378 3.539 13.579 1.00 0.00 O ATOM 525 NE2 GLN A 37 -0.407 4.800 11.986 1.00 0.00 N ATOM 0 H GLN A 37 -0.739 1.896 8.334 1.00 0.00 H new ATOM 0 HA GLN A 37 0.475 2.726 10.905 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -2.115 1.323 10.219 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.404 1.204 11.816 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -2.060 3.838 10.412 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -3.087 3.072 11.607 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -0.346 5.019 10.992 1.00 0.00 H new ATOM 0 HE22 GLN A 37 0.175 5.303 12.656 1.00 0.00 H new ATOM 534 N GLN A 38 1.174 0.345 11.576 1.00 0.00 N ATOM 535 CA GLN A 38 1.928 -0.880 11.783 1.00 0.00 C ATOM 536 C GLN A 38 1.052 -2.099 11.484 1.00 0.00 C ATOM 537 O GLN A 38 -0.047 -2.224 12.021 1.00 0.00 O ATOM 538 CB GLN A 38 2.490 -0.944 13.204 1.00 0.00 C ATOM 539 CG GLN A 38 3.229 -2.263 13.443 1.00 0.00 C ATOM 540 CD GLN A 38 2.675 -2.988 14.670 1.00 0.00 C ATOM 541 OE1 GLN A 38 1.804 -2.500 15.371 1.00 0.00 O ATOM 542 NE2 GLN A 38 3.226 -4.179 14.890 1.00 0.00 N ATOM 0 H GLN A 38 1.043 0.912 12.413 1.00 0.00 H new ATOM 0 HA GLN A 38 2.772 -0.885 11.093 1.00 0.00 H new ATOM 0 HB2 GLN A 38 3.169 -0.108 13.368 1.00 0.00 H new ATOM 0 HB3 GLN A 38 1.679 -0.842 13.925 1.00 0.00 H new ATOM 0 HG2 GLN A 38 3.133 -2.902 12.565 1.00 0.00 H new ATOM 0 HG3 GLN A 38 4.293 -2.068 13.581 1.00 0.00 H new ATOM 0 HE21 GLN A 38 3.951 -4.529 14.264 1.00 0.00 H new ATOM 0 HE22 GLN A 38 2.923 -4.742 15.685 1.00 0.00 H new ATOM 551 N ALA A 39 1.573 -2.966 10.629 1.00 0.00 N ATOM 552 CA ALA A 39 0.853 -4.171 10.252 1.00 0.00 C ATOM 553 C ALA A 39 -0.339 -3.792 9.370 1.00 0.00 C ATOM 554 O ALA A 39 -1.454 -4.261 9.593 1.00 0.00 O ATOM 555 CB ALA A 39 0.428 -4.927 11.512 1.00 0.00 C ATOM 0 H ALA A 39 2.486 -2.858 10.186 1.00 0.00 H new ATOM 0 HA ALA A 39 1.494 -4.836 9.673 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -0.112 -5.831 11.229 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.312 -5.198 12.089 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -0.219 -4.292 12.117 1.00 0.00 H new ATOM 561 N ASP A 40 -0.062 -2.948 8.387 1.00 0.00 N ATOM 562 CA ASP A 40 -1.097 -2.501 7.470 1.00 0.00 C ATOM 563 C ASP A 40 -0.868 -3.140 6.099 1.00 0.00 C ATOM 564 O ASP A 40 0.259 -3.489 5.753 1.00 0.00 O ATOM 565 CB ASP A 40 -1.060 -0.982 7.296 1.00 0.00 C ATOM 566 CG ASP A 40 -1.803 -0.189 8.373 1.00 0.00 C ATOM 567 OD1 ASP A 40 -1.945 -0.740 9.486 1.00 0.00 O ATOM 568 OD2 ASP A 40 -2.211 0.950 8.059 1.00 0.00 O ATOM 0 H ASP A 40 0.864 -2.562 8.205 1.00 0.00 H new ATOM 0 HA ASP A 40 -2.063 -2.793 7.883 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -0.019 -0.658 7.281 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.485 -0.732 6.324 1.00 0.00 H new ATOM 573 N VAL A 41 -1.957 -3.275 5.355 1.00 0.00 N ATOM 574 CA VAL A 41 -1.889 -3.866 4.030 1.00 0.00 C ATOM 575 C VAL A 41 -2.066 -2.769 2.978 1.00 0.00 C ATOM 576 O VAL A 41 -2.866 -1.853 3.159 1.00 0.00 O ATOM 577 CB VAL A 41 -2.922 -4.987 3.904 1.00 0.00 C ATOM 578 CG1 VAL A 41 -2.804 -5.691 2.550 1.00 0.00 C ATOM 579 CG2 VAL A 41 -2.789 -5.987 5.055 1.00 0.00 C ATOM 0 H VAL A 41 -2.891 -2.985 5.645 1.00 0.00 H new ATOM 0 HA VAL A 41 -0.913 -4.322 3.864 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.913 -4.538 3.963 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -3.549 -6.484 2.486 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -2.971 -4.970 1.749 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.808 -6.121 2.449 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.535 -6.774 4.942 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -1.792 -6.427 5.041 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.945 -5.473 6.003 1.00 0.00 H new ATOM 589 N VAL A 42 -1.306 -2.899 1.900 1.00 0.00 N ATOM 590 CA VAL A 42 -1.369 -1.930 0.819 1.00 0.00 C ATOM 591 C VAL A 42 -1.192 -2.653 -0.518 1.00 0.00 C ATOM 592 O VAL A 42 -0.243 -3.415 -0.695 1.00 0.00 O ATOM 593 CB VAL A 42 -0.333 -0.827 1.044 1.00 0.00 C ATOM 594 CG1 VAL A 42 -0.185 0.048 -0.203 1.00 0.00 C ATOM 595 CG2 VAL A 42 -0.690 0.019 2.268 1.00 0.00 C ATOM 0 H VAL A 42 -0.644 -3.661 1.752 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.344 -1.442 0.799 1.00 0.00 H new ATOM 0 HB VAL A 42 0.628 -1.304 1.235 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.557 0.824 -0.017 1.00 0.00 H new ATOM 0 HG12 VAL A 42 0.136 -0.567 -1.043 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -1.143 0.511 -0.438 1.00 0.00 H new ATOM 0 HG21 VAL A 42 0.062 0.796 2.406 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.666 0.481 2.119 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.721 -0.617 3.153 1.00 0.00 H new ATOM 605 N LEU A 43 -2.121 -2.388 -1.425 1.00 0.00 N ATOM 606 CA LEU A 43 -2.080 -3.003 -2.741 1.00 0.00 C ATOM 607 C LEU A 43 -1.204 -2.158 -3.667 1.00 0.00 C ATOM 608 O LEU A 43 -1.586 -1.054 -4.053 1.00 0.00 O ATOM 609 CB LEU A 43 -3.497 -3.229 -3.271 1.00 0.00 C ATOM 610 CG LEU A 43 -3.612 -4.079 -4.538 1.00 0.00 C ATOM 611 CD1 LEU A 43 -3.592 -5.571 -4.200 1.00 0.00 C ATOM 612 CD2 LEU A 43 -4.850 -3.691 -5.349 1.00 0.00 C ATOM 0 H LEU A 43 -2.907 -1.755 -1.274 1.00 0.00 H new ATOM 0 HA LEU A 43 -1.624 -3.992 -2.686 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -4.086 -3.702 -2.485 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.949 -2.257 -3.467 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.742 -3.879 -5.164 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -3.675 -6.153 -5.118 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.657 -5.818 -3.697 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -4.430 -5.807 -3.544 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.907 -4.310 -6.244 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -5.744 -3.844 -4.744 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -4.782 -2.642 -5.637 1.00 0.00 H new ATOM 624 N VAL A 44 -0.045 -2.709 -3.998 1.00 0.00 N ATOM 625 CA VAL A 44 0.889 -2.019 -4.872 1.00 0.00 C ATOM 626 C VAL A 44 0.215 -1.746 -6.217 1.00 0.00 C ATOM 627 O VAL A 44 -0.514 -2.591 -6.734 1.00 0.00 O ATOM 628 CB VAL A 44 2.179 -2.831 -5.004 1.00 0.00 C ATOM 629 CG1 VAL A 44 3.133 -2.184 -6.010 1.00 0.00 C ATOM 630 CG2 VAL A 44 2.856 -3.011 -3.643 1.00 0.00 C ATOM 0 H VAL A 44 0.268 -3.625 -3.677 1.00 0.00 H new ATOM 0 HA VAL A 44 1.169 -1.055 -4.447 1.00 0.00 H new ATOM 0 HB VAL A 44 1.916 -3.820 -5.380 1.00 0.00 H new ATOM 0 HG11 VAL A 44 4.042 -2.781 -6.085 1.00 0.00 H new ATOM 0 HG12 VAL A 44 2.651 -2.132 -6.986 1.00 0.00 H new ATOM 0 HG13 VAL A 44 3.386 -1.178 -5.676 1.00 0.00 H new ATOM 0 HG21 VAL A 44 3.770 -3.592 -3.765 1.00 0.00 H new ATOM 0 HG22 VAL A 44 3.100 -2.034 -3.226 1.00 0.00 H new ATOM 0 HG23 VAL A 44 2.181 -3.536 -2.967 1.00 0.00 H new ATOM 640 N LEU A 45 0.481 -0.561 -6.747 1.00 0.00 N ATOM 641 CA LEU A 45 -0.091 -0.165 -8.022 1.00 0.00 C ATOM 642 C LEU A 45 1.037 0.101 -9.022 1.00 0.00 C ATOM 643 O LEU A 45 0.934 -0.266 -10.191 1.00 0.00 O ATOM 644 CB LEU A 45 -1.042 1.020 -7.839 1.00 0.00 C ATOM 645 CG LEU A 45 -2.375 0.710 -7.156 1.00 0.00 C ATOM 646 CD1 LEU A 45 -2.928 1.947 -6.446 1.00 0.00 C ATOM 647 CD2 LEU A 45 -3.378 0.125 -8.152 1.00 0.00 C ATOM 0 H LEU A 45 1.086 0.138 -6.316 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.699 -0.971 -8.433 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.528 1.786 -7.258 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.250 1.449 -8.819 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.199 -0.048 -6.393 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.876 1.699 -5.969 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.217 2.281 -5.690 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.085 2.744 -7.173 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -4.317 -0.086 -7.641 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.555 0.842 -8.954 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.978 -0.798 -8.572 1.00 0.00 H new ATOM 659 N GLN A 46 2.087 0.737 -8.525 1.00 0.00 N ATOM 660 CA GLN A 46 3.233 1.056 -9.359 1.00 0.00 C ATOM 661 C GLN A 46 4.531 0.887 -8.567 1.00 0.00 C ATOM 662 O GLN A 46 4.715 1.520 -7.528 1.00 0.00 O ATOM 663 CB GLN A 46 3.119 2.471 -9.929 1.00 0.00 C ATOM 664 CG GLN A 46 2.698 2.438 -11.400 1.00 0.00 C ATOM 665 CD GLN A 46 1.717 3.570 -11.715 1.00 0.00 C ATOM 666 OE1 GLN A 46 2.089 4.720 -11.879 1.00 0.00 O ATOM 667 NE2 GLN A 46 0.448 3.180 -11.790 1.00 0.00 N ATOM 0 H GLN A 46 2.168 1.040 -7.555 1.00 0.00 H new ATOM 0 HA GLN A 46 3.250 0.361 -10.199 1.00 0.00 H new ATOM 0 HB2 GLN A 46 2.392 3.042 -9.352 1.00 0.00 H new ATOM 0 HB3 GLN A 46 4.076 2.984 -9.832 1.00 0.00 H new ATOM 0 HG2 GLN A 46 3.579 2.527 -12.036 1.00 0.00 H new ATOM 0 HG3 GLN A 46 2.236 1.477 -11.628 1.00 0.00 H new ATOM 0 HE21 GLN A 46 0.206 2.200 -11.642 1.00 0.00 H new ATOM 0 HE22 GLN A 46 -0.283 3.861 -11.996 1.00 0.00 H new ATOM 676 N GLN A 47 5.397 0.030 -9.087 1.00 0.00 N ATOM 677 CA GLN A 47 6.672 -0.230 -8.441 1.00 0.00 C ATOM 678 C GLN A 47 7.782 0.582 -9.111 1.00 0.00 C ATOM 679 O GLN A 47 8.095 0.366 -10.280 1.00 0.00 O ATOM 680 CB GLN A 47 7.000 -1.724 -8.457 1.00 0.00 C ATOM 681 CG GLN A 47 6.487 -2.412 -7.190 1.00 0.00 C ATOM 682 CD GLN A 47 7.089 -3.811 -7.044 1.00 0.00 C ATOM 683 OE1 GLN A 47 6.405 -4.820 -7.114 1.00 0.00 O ATOM 684 NE2 GLN A 47 8.403 -3.817 -6.838 1.00 0.00 N ATOM 0 H GLN A 47 5.241 -0.493 -9.948 1.00 0.00 H new ATOM 0 HA GLN A 47 6.599 0.081 -7.399 1.00 0.00 H new ATOM 0 HB2 GLN A 47 6.551 -2.189 -9.335 1.00 0.00 H new ATOM 0 HB3 GLN A 47 8.078 -1.862 -8.539 1.00 0.00 H new ATOM 0 HG2 GLN A 47 6.740 -1.810 -6.317 1.00 0.00 H new ATOM 0 HG3 GLN A 47 5.400 -2.482 -7.224 1.00 0.00 H new ATOM 0 HE21 GLN A 47 8.916 -2.937 -6.790 1.00 0.00 H new ATOM 0 HE22 GLN A 47 8.898 -4.702 -6.728 1.00 0.00 H new ATOM 693 N GLU A 48 8.346 1.501 -8.340 1.00 0.00 N ATOM 694 CA GLU A 48 9.415 2.347 -8.845 1.00 0.00 C ATOM 695 C GLU A 48 10.659 2.211 -7.965 1.00 0.00 C ATOM 696 O GLU A 48 10.636 2.575 -6.790 1.00 0.00 O ATOM 697 CB GLU A 48 8.963 3.806 -8.934 1.00 0.00 C ATOM 698 CG GLU A 48 9.568 4.493 -10.160 1.00 0.00 C ATOM 699 CD GLU A 48 9.697 6.001 -9.935 1.00 0.00 C ATOM 700 OE1 GLU A 48 8.769 6.564 -9.315 1.00 0.00 O ATOM 701 OE2 GLU A 48 10.721 6.557 -10.388 1.00 0.00 O ATOM 0 H GLU A 48 8.083 1.678 -7.370 1.00 0.00 H new ATOM 0 HA GLU A 48 9.669 2.017 -9.853 1.00 0.00 H new ATOM 0 HB2 GLU A 48 7.875 3.851 -8.987 1.00 0.00 H new ATOM 0 HB3 GLU A 48 9.260 4.338 -8.031 1.00 0.00 H new ATOM 0 HG2 GLU A 48 10.549 4.068 -10.372 1.00 0.00 H new ATOM 0 HG3 GLU A 48 8.943 4.304 -11.033 1.00 0.00 H new ATOM 708 N ASP A 49 11.716 1.687 -8.568 1.00 0.00 N ATOM 709 CA ASP A 49 12.968 1.499 -7.854 1.00 0.00 C ATOM 710 C ASP A 49 13.213 2.699 -6.938 1.00 0.00 C ATOM 711 O ASP A 49 13.617 3.765 -7.400 1.00 0.00 O ATOM 712 CB ASP A 49 14.146 1.397 -8.825 1.00 0.00 C ATOM 713 CG ASP A 49 15.185 0.331 -8.471 1.00 0.00 C ATOM 714 OD1 ASP A 49 15.198 -0.079 -7.290 1.00 0.00 O ATOM 715 OD2 ASP A 49 15.943 -0.049 -9.389 1.00 0.00 O ATOM 0 H ASP A 49 11.731 1.387 -9.543 1.00 0.00 H new ATOM 0 HA ASP A 49 12.893 0.576 -7.280 1.00 0.00 H new ATOM 0 HB2 ASP A 49 13.758 1.188 -9.822 1.00 0.00 H new ATOM 0 HB3 ASP A 49 14.643 2.366 -8.873 1.00 0.00 H new ATOM 720 N GLY A 50 12.958 2.486 -5.655 1.00 0.00 N ATOM 721 CA GLY A 50 13.146 3.537 -4.670 1.00 0.00 C ATOM 722 C GLY A 50 11.892 3.716 -3.813 1.00 0.00 C ATOM 723 O GLY A 50 11.984 3.884 -2.598 1.00 0.00 O ATOM 0 H GLY A 50 12.623 1.601 -5.275 1.00 0.00 H new ATOM 0 HA2 GLY A 50 13.995 3.294 -4.032 1.00 0.00 H new ATOM 0 HA3 GLY A 50 13.383 4.474 -5.174 1.00 0.00 H new ATOM 727 N TRP A 51 10.747 3.674 -4.479 1.00 0.00 N ATOM 728 CA TRP A 51 9.476 3.830 -3.794 1.00 0.00 C ATOM 729 C TRP A 51 8.472 2.870 -4.437 1.00 0.00 C ATOM 730 O TRP A 51 8.545 2.601 -5.635 1.00 0.00 O ATOM 731 CB TRP A 51 9.012 5.287 -3.822 1.00 0.00 C ATOM 732 CG TRP A 51 9.735 6.190 -2.820 1.00 0.00 C ATOM 733 CD1 TRP A 51 10.990 6.656 -2.885 1.00 0.00 C ATOM 734 CD2 TRP A 51 9.191 6.720 -1.593 1.00 0.00 C ATOM 735 NE1 TRP A 51 11.294 7.444 -1.794 1.00 0.00 N ATOM 736 CE2 TRP A 51 10.165 7.484 -0.983 1.00 0.00 C ATOM 737 CE3 TRP A 51 7.919 6.559 -1.017 1.00 0.00 C ATOM 738 CZ2 TRP A 51 9.969 8.148 0.234 1.00 0.00 C ATOM 739 CZ3 TRP A 51 7.739 7.228 0.199 1.00 0.00 C ATOM 740 CH2 TRP A 51 8.709 8.002 0.826 1.00 0.00 C ATOM 0 H TRP A 51 10.674 3.534 -5.487 1.00 0.00 H new ATOM 0 HA TRP A 51 9.574 3.577 -2.738 1.00 0.00 H new ATOM 0 HB2 TRP A 51 9.159 5.685 -4.826 1.00 0.00 H new ATOM 0 HB3 TRP A 51 7.942 5.321 -3.619 1.00 0.00 H new ATOM 0 HD1 TRP A 51 11.677 6.442 -3.690 1.00 0.00 H new ATOM 0 HE1 TRP A 51 12.183 7.911 -1.615 1.00 0.00 H new ATOM 0 HE3 TRP A 51 7.142 5.966 -1.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 51 10.748 8.741 0.691 1.00 0.00 H new ATOM 0 HZ3 TRP A 51 6.779 7.137 0.685 1.00 0.00 H new ATOM 0 HH2 TRP A 51 8.491 8.488 1.765 1.00 0.00 H new ATOM 751 N LEU A 52 7.558 2.381 -3.612 1.00 0.00 N ATOM 752 CA LEU A 52 6.540 1.458 -4.085 1.00 0.00 C ATOM 753 C LEU A 52 5.158 2.078 -3.875 1.00 0.00 C ATOM 754 O LEU A 52 4.765 2.361 -2.745 1.00 0.00 O ATOM 755 CB LEU A 52 6.708 0.090 -3.420 1.00 0.00 C ATOM 756 CG LEU A 52 8.148 -0.377 -3.200 1.00 0.00 C ATOM 757 CD1 LEU A 52 8.866 -0.586 -4.535 1.00 0.00 C ATOM 758 CD2 LEU A 52 8.905 0.589 -2.287 1.00 0.00 C ATOM 0 H LEU A 52 7.501 2.606 -2.619 1.00 0.00 H new ATOM 0 HA LEU A 52 6.651 1.283 -5.155 1.00 0.00 H new ATOM 0 HB2 LEU A 52 6.203 0.113 -2.454 1.00 0.00 H new ATOM 0 HB3 LEU A 52 6.195 -0.654 -4.030 1.00 0.00 H new ATOM 0 HG LEU A 52 8.121 -1.342 -2.694 1.00 0.00 H new ATOM 0 HD11 LEU A 52 9.888 -0.918 -4.351 1.00 0.00 H new ATOM 0 HD12 LEU A 52 8.339 -1.342 -5.117 1.00 0.00 H new ATOM 0 HD13 LEU A 52 8.884 0.352 -5.089 1.00 0.00 H new ATOM 0 HD21 LEU A 52 9.926 0.233 -2.147 1.00 0.00 H new ATOM 0 HD22 LEU A 52 8.925 1.579 -2.742 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.404 0.644 -1.320 1.00 0.00 H new ATOM 770 N TYR A 53 4.457 2.272 -4.983 1.00 0.00 N ATOM 771 CA TYR A 53 3.127 2.854 -4.936 1.00 0.00 C ATOM 772 C TYR A 53 2.057 1.766 -4.824 1.00 0.00 C ATOM 773 O TYR A 53 2.184 0.701 -5.426 1.00 0.00 O ATOM 774 CB TYR A 53 2.944 3.598 -6.260 1.00 0.00 C ATOM 775 CG TYR A 53 1.664 4.432 -6.333 1.00 0.00 C ATOM 776 CD1 TYR A 53 1.485 5.500 -5.477 1.00 0.00 C ATOM 777 CD2 TYR A 53 0.687 4.117 -7.256 1.00 0.00 C ATOM 778 CE1 TYR A 53 0.280 6.285 -5.547 1.00 0.00 C ATOM 779 CE2 TYR A 53 -0.518 4.902 -7.326 1.00 0.00 C ATOM 780 CZ TYR A 53 -0.662 5.947 -6.467 1.00 0.00 C ATOM 781 OH TYR A 53 -1.800 6.688 -6.533 1.00 0.00 O ATOM 0 H TYR A 53 4.786 2.036 -5.919 1.00 0.00 H new ATOM 0 HA TYR A 53 3.026 3.510 -4.071 1.00 0.00 H new ATOM 0 HB2 TYR A 53 3.801 4.252 -6.419 1.00 0.00 H new ATOM 0 HB3 TYR A 53 2.940 2.874 -7.075 1.00 0.00 H new ATOM 0 HD1 TYR A 53 2.249 5.747 -4.755 1.00 0.00 H new ATOM 0 HD2 TYR A 53 0.827 3.281 -7.926 1.00 0.00 H new ATOM 0 HE1 TYR A 53 0.128 7.123 -4.884 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -1.290 4.667 -8.044 1.00 0.00 H new ATOM 0 HH TYR A 53 -2.382 6.332 -7.237 1.00 0.00 H new ATOM 791 N GLY A 54 1.026 2.072 -4.050 1.00 0.00 N ATOM 792 CA GLY A 54 -0.066 1.134 -3.852 1.00 0.00 C ATOM 793 C GLY A 54 -1.291 1.835 -3.261 1.00 0.00 C ATOM 794 O GLY A 54 -1.318 3.060 -3.154 1.00 0.00 O ATOM 0 H GLY A 54 0.924 2.957 -3.552 1.00 0.00 H new ATOM 0 HA2 GLY A 54 -0.331 0.672 -4.803 1.00 0.00 H new ATOM 0 HA3 GLY A 54 0.255 0.332 -3.187 1.00 0.00 H new ATOM 798 N GLU A 55 -2.275 1.028 -2.893 1.00 0.00 N ATOM 799 CA GLU A 55 -3.500 1.555 -2.316 1.00 0.00 C ATOM 800 C GLU A 55 -3.775 0.896 -0.963 1.00 0.00 C ATOM 801 O GLU A 55 -3.763 -0.329 -0.851 1.00 0.00 O ATOM 802 CB GLU A 55 -4.681 1.366 -3.269 1.00 0.00 C ATOM 803 CG GLU A 55 -5.978 1.886 -2.646 1.00 0.00 C ATOM 804 CD GLU A 55 -7.096 0.849 -2.760 1.00 0.00 C ATOM 805 OE1 GLU A 55 -7.528 0.603 -3.907 1.00 0.00 O ATOM 806 OE2 GLU A 55 -7.495 0.325 -1.697 1.00 0.00 O ATOM 0 H GLU A 55 -2.249 0.012 -2.983 1.00 0.00 H new ATOM 0 HA GLU A 55 -3.373 2.626 -2.157 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -4.486 1.892 -4.204 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -4.789 0.309 -3.514 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -5.809 2.130 -1.597 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.280 2.808 -3.143 1.00 0.00 H new ATOM 813 N ARG A 56 -4.018 1.738 0.031 1.00 0.00 N ATOM 814 CA ARG A 56 -4.296 1.253 1.372 1.00 0.00 C ATOM 815 C ARG A 56 -5.689 0.622 1.430 1.00 0.00 C ATOM 816 O ARG A 56 -6.695 1.317 1.294 1.00 0.00 O ATOM 817 CB ARG A 56 -4.214 2.387 2.396 1.00 0.00 C ATOM 818 CG ARG A 56 -3.947 1.840 3.800 1.00 0.00 C ATOM 819 CD ARG A 56 -3.239 2.881 4.668 1.00 0.00 C ATOM 820 NE ARG A 56 -3.727 4.237 4.333 1.00 0.00 N ATOM 821 CZ ARG A 56 -4.788 4.817 4.909 1.00 0.00 C ATOM 822 NH1 ARG A 56 -5.479 4.163 5.853 1.00 0.00 N ATOM 823 NH2 ARG A 56 -5.159 6.051 4.542 1.00 0.00 N ATOM 0 H ARG A 56 -4.028 2.753 -0.066 1.00 0.00 H new ATOM 0 HA ARG A 56 -3.543 0.503 1.616 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -3.420 3.079 2.115 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -5.146 2.952 2.393 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.889 1.552 4.267 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -3.336 0.940 3.733 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -3.420 2.671 5.722 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -2.162 2.825 4.512 1.00 0.00 H new ATOM 0 HE ARG A 56 -3.224 4.763 3.619 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -5.197 3.224 6.133 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -6.287 4.605 6.292 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -4.633 6.549 3.824 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -5.967 6.492 4.981 1.00 0.00 H new ATOM 837 N LEU A 57 -5.702 -0.688 1.631 1.00 0.00 N ATOM 838 CA LEU A 57 -6.955 -1.420 1.708 1.00 0.00 C ATOM 839 C LEU A 57 -7.770 -0.903 2.894 1.00 0.00 C ATOM 840 O LEU A 57 -8.964 -1.182 3.001 1.00 0.00 O ATOM 841 CB LEU A 57 -6.693 -2.927 1.752 1.00 0.00 C ATOM 842 CG LEU A 57 -6.117 -3.545 0.476 1.00 0.00 C ATOM 843 CD1 LEU A 57 -6.902 -3.090 -0.756 1.00 0.00 C ATOM 844 CD2 LEU A 57 -4.623 -3.244 0.346 1.00 0.00 C ATOM 0 H LEU A 57 -4.865 -1.261 1.743 1.00 0.00 H new ATOM 0 HA LEU A 57 -7.552 -1.249 0.812 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -6.007 -3.133 2.573 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -7.630 -3.432 1.986 1.00 0.00 H new ATOM 0 HG LEU A 57 -6.222 -4.628 0.544 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -6.472 -3.543 -1.649 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -7.943 -3.397 -0.658 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -6.851 -2.004 -0.840 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -4.239 -3.695 -0.569 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -4.471 -2.165 0.311 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -4.093 -3.657 1.204 1.00 0.00 H new ATOM 856 N ARG A 58 -7.094 -0.158 3.757 1.00 0.00 N ATOM 857 CA ARG A 58 -7.741 0.400 4.932 1.00 0.00 C ATOM 858 C ARG A 58 -8.935 1.265 4.520 1.00 0.00 C ATOM 859 O ARG A 58 -10.081 0.927 4.812 1.00 0.00 O ATOM 860 CB ARG A 58 -6.764 1.248 5.748 1.00 0.00 C ATOM 861 CG ARG A 58 -7.352 1.598 7.117 1.00 0.00 C ATOM 862 CD ARG A 58 -6.374 1.246 8.240 1.00 0.00 C ATOM 863 NE ARG A 58 -7.058 1.323 9.550 1.00 0.00 N ATOM 864 CZ ARG A 58 -7.262 2.463 10.225 1.00 0.00 C ATOM 865 NH1 ARG A 58 -6.835 3.627 9.718 1.00 0.00 N ATOM 866 NH2 ARG A 58 -7.893 2.438 11.407 1.00 0.00 N ATOM 0 H ARG A 58 -6.104 0.072 3.666 1.00 0.00 H new ATOM 0 HA ARG A 58 -8.085 -0.431 5.547 1.00 0.00 H new ATOM 0 HB2 ARG A 58 -5.827 0.706 5.878 1.00 0.00 H new ATOM 0 HB3 ARG A 58 -6.529 2.163 5.204 1.00 0.00 H new ATOM 0 HG2 ARG A 58 -7.587 2.662 7.155 1.00 0.00 H new ATOM 0 HG3 ARG A 58 -8.288 1.059 7.263 1.00 0.00 H new ATOM 0 HD2 ARG A 58 -5.977 0.243 8.086 1.00 0.00 H new ATOM 0 HD3 ARG A 58 -5.526 1.930 8.223 1.00 0.00 H new ATOM 0 HE ARG A 58 -7.395 0.455 9.965 1.00 0.00 H new ATOM 0 HH11 ARG A 58 -6.355 3.646 8.818 1.00 0.00 H new ATOM 0 HH12 ARG A 58 -6.990 4.495 10.232 1.00 0.00 H new ATOM 0 HH21 ARG A 58 -8.218 1.552 11.793 1.00 0.00 H new ATOM 0 HH22 ARG A 58 -8.048 3.305 11.921 1.00 0.00 H new ATOM 880 N ASP A 59 -8.624 2.364 3.848 1.00 0.00 N ATOM 881 CA ASP A 59 -9.657 3.279 3.393 1.00 0.00 C ATOM 882 C ASP A 59 -9.639 3.343 1.865 1.00 0.00 C ATOM 883 O ASP A 59 -10.655 3.645 1.240 1.00 0.00 O ATOM 884 CB ASP A 59 -9.415 4.692 3.929 1.00 0.00 C ATOM 885 CG ASP A 59 -10.615 5.636 3.826 1.00 0.00 C ATOM 886 OD1 ASP A 59 -10.834 6.156 2.710 1.00 0.00 O ATOM 887 OD2 ASP A 59 -11.285 5.818 4.865 1.00 0.00 O ATOM 0 H ASP A 59 -7.672 2.641 3.608 1.00 0.00 H new ATOM 0 HA ASP A 59 -10.617 2.914 3.759 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -9.116 4.622 4.975 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -8.578 5.132 3.387 1.00 0.00 H new ATOM 892 N GLY A 60 -8.473 3.054 1.306 1.00 0.00 N ATOM 893 CA GLY A 60 -8.309 3.075 -0.137 1.00 0.00 C ATOM 894 C GLY A 60 -7.312 4.156 -0.560 1.00 0.00 C ATOM 895 O GLY A 60 -7.039 4.323 -1.748 1.00 0.00 O ATOM 0 H GLY A 60 -7.633 2.804 1.827 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.962 2.101 -0.481 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -9.272 3.257 -0.613 1.00 0.00 H new ATOM 899 N GLU A 61 -6.795 4.862 0.435 1.00 0.00 N ATOM 900 CA GLU A 61 -5.834 5.922 0.181 1.00 0.00 C ATOM 901 C GLU A 61 -4.686 5.401 -0.685 1.00 0.00 C ATOM 902 O GLU A 61 -4.045 4.409 -0.341 1.00 0.00 O ATOM 903 CB GLU A 61 -5.310 6.512 1.491 1.00 0.00 C ATOM 904 CG GLU A 61 -5.419 8.038 1.488 1.00 0.00 C ATOM 905 CD GLU A 61 -4.110 8.682 1.950 1.00 0.00 C ATOM 906 OE1 GLU A 61 -3.848 8.624 3.171 1.00 0.00 O ATOM 907 OE2 GLU A 61 -3.400 9.218 1.071 1.00 0.00 O ATOM 0 H GLU A 61 -7.024 4.721 1.419 1.00 0.00 H new ATOM 0 HA GLU A 61 -6.338 6.721 -0.362 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -5.876 6.105 2.329 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -4.270 6.218 1.636 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -5.666 8.387 0.485 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.233 8.349 2.143 1.00 0.00 H new ATOM 914 N THR A 62 -4.460 6.093 -1.792 1.00 0.00 N ATOM 915 CA THR A 62 -3.399 5.713 -2.709 1.00 0.00 C ATOM 916 C THR A 62 -2.252 6.723 -2.646 1.00 0.00 C ATOM 917 O THR A 62 -2.429 7.892 -2.986 1.00 0.00 O ATOM 918 CB THR A 62 -4.010 5.573 -4.105 1.00 0.00 C ATOM 919 OG1 THR A 62 -5.278 4.967 -3.871 1.00 0.00 O ATOM 920 CG2 THR A 62 -3.265 4.555 -4.971 1.00 0.00 C ATOM 0 H THR A 62 -4.994 6.915 -2.075 1.00 0.00 H new ATOM 0 HA THR A 62 -2.961 4.754 -2.432 1.00 0.00 H new ATOM 0 HB THR A 62 -4.006 6.544 -4.601 1.00 0.00 H new ATOM 0 HG1 THR A 62 -5.743 4.841 -4.724 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.739 4.494 -5.951 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.227 4.868 -5.089 1.00 0.00 H new ATOM 0 HG23 THR A 62 -3.297 3.577 -4.491 1.00 0.00 H new ATOM 928 N GLY A 63 -1.100 6.235 -2.209 1.00 0.00 N ATOM 929 CA GLY A 63 0.076 7.080 -2.097 1.00 0.00 C ATOM 930 C GLY A 63 1.351 6.287 -2.392 1.00 0.00 C ATOM 931 O GLY A 63 1.286 5.118 -2.767 1.00 0.00 O ATOM 0 H GLY A 63 -0.956 5.265 -1.928 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -0.005 7.916 -2.791 1.00 0.00 H new ATOM 0 HA3 GLY A 63 0.130 7.503 -1.094 1.00 0.00 H new ATOM 935 N TRP A 64 2.481 6.956 -2.210 1.00 0.00 N ATOM 936 CA TRP A 64 3.769 6.328 -2.452 1.00 0.00 C ATOM 937 C TRP A 64 4.323 5.853 -1.107 1.00 0.00 C ATOM 938 O TRP A 64 4.522 6.655 -0.195 1.00 0.00 O ATOM 939 CB TRP A 64 4.714 7.281 -3.185 1.00 0.00 C ATOM 940 CG TRP A 64 4.435 7.403 -4.684 1.00 0.00 C ATOM 941 CD1 TRP A 64 3.673 8.310 -5.311 1.00 0.00 C ATOM 942 CD2 TRP A 64 4.951 6.549 -5.727 1.00 0.00 C ATOM 943 NE1 TRP A 64 3.659 8.104 -6.675 1.00 0.00 N ATOM 944 CE2 TRP A 64 4.461 6.999 -6.936 1.00 0.00 C ATOM 945 CE3 TRP A 64 5.803 5.433 -5.651 1.00 0.00 C ATOM 946 CZ2 TRP A 64 4.767 6.392 -8.161 1.00 0.00 C ATOM 947 CZ3 TRP A 64 6.099 4.838 -6.883 1.00 0.00 C ATOM 948 CH2 TRP A 64 5.614 5.279 -8.109 1.00 0.00 C ATOM 0 H TRP A 64 2.531 7.926 -1.898 1.00 0.00 H new ATOM 0 HA TRP A 64 3.660 5.465 -3.108 1.00 0.00 H new ATOM 0 HB2 TRP A 64 4.641 8.269 -2.731 1.00 0.00 H new ATOM 0 HB3 TRP A 64 5.739 6.940 -3.043 1.00 0.00 H new ATOM 0 HD1 TRP A 64 3.137 9.103 -4.811 1.00 0.00 H new ATOM 0 HE1 TRP A 64 3.153 8.660 -7.365 1.00 0.00 H new ATOM 0 HE3 TRP A 64 6.198 5.064 -4.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 4.371 6.763 -9.095 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 6.750 3.976 -6.881 1.00 0.00 H new ATOM 0 HH2 TRP A 64 5.890 4.765 -9.018 1.00 0.00 H new ATOM 959 N PHE A 65 4.557 4.552 -1.026 1.00 0.00 N ATOM 960 CA PHE A 65 5.084 3.961 0.192 1.00 0.00 C ATOM 961 C PHE A 65 6.390 3.212 -0.082 1.00 0.00 C ATOM 962 O PHE A 65 6.476 2.432 -1.029 1.00 0.00 O ATOM 963 CB PHE A 65 4.037 2.966 0.697 1.00 0.00 C ATOM 964 CG PHE A 65 4.072 1.612 -0.013 1.00 0.00 C ATOM 965 CD1 PHE A 65 5.083 0.738 0.238 1.00 0.00 C ATOM 966 CD2 PHE A 65 3.092 1.281 -0.896 1.00 0.00 C ATOM 967 CE1 PHE A 65 5.116 -0.519 -0.421 1.00 0.00 C ATOM 968 CE2 PHE A 65 3.124 0.024 -1.555 1.00 0.00 C ATOM 969 CZ PHE A 65 4.136 -0.850 -1.304 1.00 0.00 C ATOM 0 H PHE A 65 4.391 3.890 -1.784 1.00 0.00 H new ATOM 0 HA PHE A 65 5.290 4.742 0.924 1.00 0.00 H new ATOM 0 HB2 PHE A 65 4.186 2.808 1.765 1.00 0.00 H new ATOM 0 HB3 PHE A 65 3.046 3.403 0.574 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.861 1.000 0.939 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.289 1.975 -1.096 1.00 0.00 H new ATOM 0 HE1 PHE A 65 5.919 -1.212 -0.221 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.345 -0.238 -2.256 1.00 0.00 H new ATOM 0 HZ PHE A 65 4.161 -1.806 -1.806 1.00 0.00 H new ATOM 979 N PRO A 66 7.402 3.484 0.786 1.00 0.00 N ATOM 980 CA PRO A 66 8.699 2.845 0.647 1.00 0.00 C ATOM 981 C PRO A 66 8.646 1.388 1.110 1.00 0.00 C ATOM 982 O PRO A 66 7.817 1.028 1.945 1.00 0.00 O ATOM 983 CB PRO A 66 9.648 3.697 1.474 1.00 0.00 C ATOM 984 CG PRO A 66 8.770 4.504 2.416 1.00 0.00 C ATOM 985 CD PRO A 66 7.337 4.402 1.919 1.00 0.00 C ATOM 0 HA PRO A 66 9.032 2.792 -0.389 1.00 0.00 H new ATOM 0 HB2 PRO A 66 10.348 3.074 2.030 1.00 0.00 H new ATOM 0 HB3 PRO A 66 10.242 4.352 0.836 1.00 0.00 H new ATOM 0 HG2 PRO A 66 8.849 4.121 3.434 1.00 0.00 H new ATOM 0 HG3 PRO A 66 9.092 5.545 2.441 1.00 0.00 H new ATOM 0 HD2 PRO A 66 6.674 4.024 2.697 1.00 0.00 H new ATOM 0 HD3 PRO A 66 6.952 5.376 1.618 1.00 0.00 H new ATOM 993 N GLU A 67 9.540 0.588 0.548 1.00 0.00 N ATOM 994 CA GLU A 67 9.606 -0.822 0.894 1.00 0.00 C ATOM 995 C GLU A 67 10.195 -0.998 2.294 1.00 0.00 C ATOM 996 O GLU A 67 9.786 -1.891 3.036 1.00 0.00 O ATOM 997 CB GLU A 67 10.414 -1.604 -0.144 1.00 0.00 C ATOM 998 CG GLU A 67 11.686 -0.847 -0.532 1.00 0.00 C ATOM 999 CD GLU A 67 12.897 -1.782 -0.546 1.00 0.00 C ATOM 1000 OE1 GLU A 67 12.853 -2.756 -1.328 1.00 0.00 O ATOM 1001 OE2 GLU A 67 13.839 -1.501 0.226 1.00 0.00 O ATOM 0 H GLU A 67 10.225 0.889 -0.145 1.00 0.00 H new ATOM 0 HA GLU A 67 8.593 -1.224 0.895 1.00 0.00 H new ATOM 0 HB2 GLU A 67 10.677 -2.583 0.257 1.00 0.00 H new ATOM 0 HB3 GLU A 67 9.804 -1.776 -1.031 1.00 0.00 H new ATOM 0 HG2 GLU A 67 11.559 -0.396 -1.516 1.00 0.00 H new ATOM 0 HG3 GLU A 67 11.858 -0.033 0.172 1.00 0.00 H new ATOM 1008 N ASP A 68 11.146 -0.134 2.615 1.00 0.00 N ATOM 1009 CA ASP A 68 11.796 -0.183 3.914 1.00 0.00 C ATOM 1010 C ASP A 68 10.731 -0.188 5.012 1.00 0.00 C ATOM 1011 O ASP A 68 10.986 -0.642 6.127 1.00 0.00 O ATOM 1012 CB ASP A 68 12.691 1.039 4.129 1.00 0.00 C ATOM 1013 CG ASP A 68 14.126 0.722 4.555 1.00 0.00 C ATOM 1014 OD1 ASP A 68 14.326 -0.386 5.097 1.00 0.00 O ATOM 1015 OD2 ASP A 68 14.991 1.596 4.329 1.00 0.00 O ATOM 0 H ASP A 68 11.483 0.605 1.998 1.00 0.00 H new ATOM 0 HA ASP A 68 12.405 -1.087 3.953 1.00 0.00 H new ATOM 0 HB2 ASP A 68 12.721 1.616 3.205 1.00 0.00 H new ATOM 0 HB3 ASP A 68 12.235 1.676 4.887 1.00 0.00 H new ATOM 1020 N PHE A 69 9.560 0.322 4.659 1.00 0.00 N ATOM 1021 CA PHE A 69 8.455 0.382 5.601 1.00 0.00 C ATOM 1022 C PHE A 69 7.350 -0.602 5.213 1.00 0.00 C ATOM 1023 O PHE A 69 6.177 -0.367 5.499 1.00 0.00 O ATOM 1024 CB PHE A 69 7.897 1.806 5.546 1.00 0.00 C ATOM 1025 CG PHE A 69 8.861 2.872 6.069 1.00 0.00 C ATOM 1026 CD1 PHE A 69 9.944 3.233 5.329 1.00 0.00 C ATOM 1027 CD2 PHE A 69 8.636 3.460 7.275 1.00 0.00 C ATOM 1028 CE1 PHE A 69 10.838 4.223 5.815 1.00 0.00 C ATOM 1029 CE2 PHE A 69 9.530 4.450 7.761 1.00 0.00 C ATOM 1030 CZ PHE A 69 10.612 4.811 7.021 1.00 0.00 C ATOM 0 H PHE A 69 9.352 0.697 3.734 1.00 0.00 H new ATOM 0 HA PHE A 69 8.803 0.120 6.600 1.00 0.00 H new ATOM 0 HB2 PHE A 69 7.634 2.043 4.515 1.00 0.00 H new ATOM 0 HB3 PHE A 69 6.976 1.847 6.127 1.00 0.00 H new ATOM 0 HD1 PHE A 69 10.124 2.766 4.372 1.00 0.00 H new ATOM 0 HD2 PHE A 69 7.777 3.173 7.863 1.00 0.00 H new ATOM 0 HE1 PHE A 69 11.698 4.509 5.227 1.00 0.00 H new ATOM 0 HE2 PHE A 69 9.351 4.916 8.718 1.00 0.00 H new ATOM 0 HZ PHE A 69 11.292 5.564 7.390 1.00 0.00 H new ATOM 1040 N ALA A 70 7.763 -1.682 4.567 1.00 0.00 N ATOM 1041 CA ALA A 70 6.822 -2.703 4.137 1.00 0.00 C ATOM 1042 C ALA A 70 7.577 -4.006 3.870 1.00 0.00 C ATOM 1043 O ALA A 70 8.803 -4.008 3.766 1.00 0.00 O ATOM 1044 CB ALA A 70 6.060 -2.208 2.906 1.00 0.00 C ATOM 0 H ALA A 70 8.737 -1.873 4.331 1.00 0.00 H new ATOM 0 HA ALA A 70 6.088 -2.902 4.917 1.00 0.00 H new ATOM 0 HB1 ALA A 70 5.354 -2.973 2.583 1.00 0.00 H new ATOM 0 HB2 ALA A 70 5.517 -1.296 3.156 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.765 -2.001 2.101 1.00 0.00 H new ATOM 1050 N ARG A 71 6.814 -5.084 3.767 1.00 0.00 N ATOM 1051 CA ARG A 71 7.395 -6.392 3.514 1.00 0.00 C ATOM 1052 C ARG A 71 6.622 -7.112 2.407 1.00 0.00 C ATOM 1053 O ARG A 71 5.485 -7.534 2.614 1.00 0.00 O ATOM 1054 CB ARG A 71 7.384 -7.253 4.778 1.00 0.00 C ATOM 1055 CG ARG A 71 8.597 -6.950 5.659 1.00 0.00 C ATOM 1056 CD ARG A 71 8.816 -8.058 6.692 1.00 0.00 C ATOM 1057 NE ARG A 71 9.208 -7.468 7.991 1.00 0.00 N ATOM 1058 CZ ARG A 71 10.390 -6.882 8.224 1.00 0.00 C ATOM 1059 NH1 ARG A 71 11.303 -6.804 7.246 1.00 0.00 N ATOM 1060 NH2 ARG A 71 10.660 -6.375 9.435 1.00 0.00 N ATOM 0 H ARG A 71 5.798 -5.079 3.854 1.00 0.00 H new ATOM 0 HA ARG A 71 8.428 -6.241 3.200 1.00 0.00 H new ATOM 0 HB2 ARG A 71 6.468 -7.070 5.339 1.00 0.00 H new ATOM 0 HB3 ARG A 71 7.384 -8.308 4.504 1.00 0.00 H new ATOM 0 HG2 ARG A 71 9.486 -6.847 5.037 1.00 0.00 H new ATOM 0 HG3 ARG A 71 8.452 -5.997 6.168 1.00 0.00 H new ATOM 0 HD2 ARG A 71 7.904 -8.643 6.809 1.00 0.00 H new ATOM 0 HD3 ARG A 71 9.591 -8.742 6.345 1.00 0.00 H new ATOM 0 HE ARG A 71 8.536 -7.510 8.757 1.00 0.00 H new ATOM 0 HH11 ARG A 71 11.098 -7.191 6.325 1.00 0.00 H new ATOM 0 HH12 ARG A 71 12.203 -6.358 7.423 1.00 0.00 H new ATOM 0 HH21 ARG A 71 9.965 -6.435 10.180 1.00 0.00 H new ATOM 0 HH22 ARG A 71 11.560 -5.929 9.612 1.00 0.00 H new ATOM 1074 N PHE A 72 7.269 -7.230 1.257 1.00 0.00 N ATOM 1075 CA PHE A 72 6.656 -7.891 0.118 1.00 0.00 C ATOM 1076 C PHE A 72 6.144 -9.281 0.502 1.00 0.00 C ATOM 1077 O PHE A 72 6.885 -10.087 1.062 1.00 0.00 O ATOM 1078 CB PHE A 72 7.741 -8.038 -0.951 1.00 0.00 C ATOM 1079 CG PHE A 72 7.730 -6.929 -2.005 1.00 0.00 C ATOM 1080 CD1 PHE A 72 6.922 -7.034 -3.094 1.00 0.00 C ATOM 1081 CD2 PHE A 72 8.528 -5.838 -1.853 1.00 0.00 C ATOM 1082 CE1 PHE A 72 6.912 -6.005 -4.072 1.00 0.00 C ATOM 1083 CE2 PHE A 72 8.518 -4.809 -2.831 1.00 0.00 C ATOM 1084 CZ PHE A 72 7.710 -4.914 -3.920 1.00 0.00 C ATOM 0 H PHE A 72 8.212 -6.879 1.090 1.00 0.00 H new ATOM 0 HA PHE A 72 5.809 -7.306 -0.240 1.00 0.00 H new ATOM 0 HB2 PHE A 72 8.716 -8.053 -0.465 1.00 0.00 H new ATOM 0 HB3 PHE A 72 7.618 -9.000 -1.449 1.00 0.00 H new ATOM 0 HD1 PHE A 72 6.288 -7.900 -3.215 1.00 0.00 H new ATOM 0 HD2 PHE A 72 9.169 -5.755 -0.988 1.00 0.00 H new ATOM 0 HE1 PHE A 72 6.271 -6.088 -4.937 1.00 0.00 H new ATOM 0 HE2 PHE A 72 9.152 -3.943 -2.710 1.00 0.00 H new ATOM 0 HZ PHE A 72 7.702 -4.131 -4.664 1.00 0.00 H new