USER MOD reduce.3.24.130724 H: found=0, std=0, add=455, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 454 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 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 LYS NZ :NH3+ -172:sc= 0.333 (180deg=0.314) USER MOD Single : A 21 SER OG : rot -168:sc= 0.00341 USER MOD Single : A 23 THR OG1 : rot -167:sc= -0.73 USER MOD Single : A 28 SER OG : rot 180:sc= 0.0484 USER MOD Single : A 36 HIS : no HD1:sc= -0.31 X(o=-0.31,f=-0.27) USER MOD Single : A 40 LYS NZ :NH3+ 142:sc= -0.369 (180deg=-1.98!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot -175:sc= -0.162 USER MOD Single : A 64 HIS : no HE2:sc= -0.199 X(o=-0.2,f=-0.47) USER MOD Single : A 65 ASN : amide:sc= -0.835 K(o=-0.83,f=-2.7) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 165 N LYS A 12 1.502 -8.779 3.773 1.00 0.00 N ATOM 166 CA LYS A 12 2.064 -8.748 5.118 1.00 0.00 C ATOM 167 C LYS A 12 1.113 -9.394 6.120 1.00 0.00 C ATOM 168 O LYS A 12 -0.058 -9.628 5.818 1.00 0.00 O ATOM 169 CB LYS A 12 2.359 -7.306 5.536 1.00 0.00 C ATOM 170 CG LYS A 12 3.358 -6.603 4.633 1.00 0.00 C ATOM 171 CD LYS A 12 3.017 -5.132 4.463 1.00 0.00 C ATOM 172 CE LYS A 12 1.821 -4.939 3.543 1.00 0.00 C ATOM 173 NZ LYS A 12 1.360 -3.523 3.522 1.00 0.00 N ATOM 0 HA LYS A 12 2.995 -9.315 5.109 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.427 -6.741 5.542 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.740 -7.303 6.557 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.359 -6.699 5.052 1.00 0.00 H new ATOM 0 HG3 LYS A 12 3.373 -7.089 3.657 1.00 0.00 H new ATOM 0 HD2 LYS A 12 2.803 -4.692 5.437 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.879 -4.602 4.057 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.086 -5.250 2.532 1.00 0.00 H new ATOM 0 HE3 LYS A 12 1.004 -5.582 3.870 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 0.544 -3.433 2.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 1.083 -3.234 4.482 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 2.131 -2.912 3.186 1.00 0.00 H new ATOM 187 N TYR A 13 1.622 -9.679 7.313 1.00 0.00 N ATOM 188 CA TYR A 13 0.818 -10.299 8.359 1.00 0.00 C ATOM 189 C TYR A 13 0.656 -9.359 9.551 1.00 0.00 C ATOM 190 O TYR A 13 1.618 -8.739 10.003 1.00 0.00 O ATOM 191 CB TYR A 13 1.458 -11.611 8.814 1.00 0.00 C ATOM 192 CG TYR A 13 1.277 -12.746 7.831 1.00 0.00 C ATOM 193 CD1 TYR A 13 2.117 -12.879 6.732 1.00 0.00 C ATOM 194 CD2 TYR A 13 0.267 -13.684 8.001 1.00 0.00 C ATOM 195 CE1 TYR A 13 1.956 -13.914 5.831 1.00 0.00 C ATOM 196 CE2 TYR A 13 0.098 -14.722 7.105 1.00 0.00 C ATOM 197 CZ TYR A 13 0.945 -14.833 6.022 1.00 0.00 C ATOM 198 OH TYR A 13 0.780 -15.865 5.127 1.00 0.00 O ATOM 0 H TYR A 13 2.588 -9.490 7.580 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.169 -10.508 7.947 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.524 -11.449 8.976 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.030 -11.901 9.774 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.909 -12.161 6.580 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.398 -13.601 8.848 1.00 0.00 H new ATOM 0 HE1 TYR A 13 2.618 -14.003 4.982 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.693 -15.443 7.252 1.00 0.00 H new ATOM 0 HH TYR A 13 0.025 -16.423 5.407 1.00 0.00 H new ATOM 208 N VAL A 14 -0.570 -9.260 10.055 1.00 0.00 N ATOM 209 CA VAL A 14 -0.860 -8.399 11.195 1.00 0.00 C ATOM 210 C VAL A 14 -1.882 -9.043 12.125 1.00 0.00 C ATOM 211 O VAL A 14 -2.846 -9.659 11.674 1.00 0.00 O ATOM 212 CB VAL A 14 -1.391 -7.026 10.740 1.00 0.00 C ATOM 213 CG1 VAL A 14 -2.006 -6.276 11.912 1.00 0.00 C ATOM 214 CG2 VAL A 14 -0.278 -6.211 10.099 1.00 0.00 C ATOM 0 H VAL A 14 -1.378 -9.765 9.692 1.00 0.00 H new ATOM 0 HA VAL A 14 0.078 -8.259 11.732 1.00 0.00 H new ATOM 0 HB VAL A 14 -2.169 -7.185 9.994 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.375 -5.309 11.571 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.833 -6.856 12.322 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -1.251 -6.125 12.684 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.670 -5.244 9.783 1.00 0.00 H new ATOM 0 HG22 VAL A 14 0.524 -6.059 10.821 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.111 -6.745 9.232 1.00 0.00 H new ATOM 224 N GLY A 15 -1.662 -8.897 13.429 1.00 0.00 N ATOM 225 CA GLY A 15 -2.572 -9.470 14.403 1.00 0.00 C ATOM 226 C GLY A 15 -1.848 -10.048 15.602 1.00 0.00 C ATOM 227 O GLY A 15 -1.998 -11.230 15.917 1.00 0.00 O ATOM 0 H GLY A 15 -0.870 -8.392 13.827 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -3.270 -8.703 14.739 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -3.163 -10.253 13.927 1.00 0.00 H new ATOM 231 N LEU A 16 -1.060 -9.216 16.273 1.00 0.00 N ATOM 232 CA LEU A 16 -0.307 -9.652 17.445 1.00 0.00 C ATOM 233 C LEU A 16 -1.061 -9.323 18.729 1.00 0.00 C ATOM 234 O LEU A 16 -0.852 -9.958 19.763 1.00 0.00 O ATOM 235 CB LEU A 16 1.071 -8.989 17.466 1.00 0.00 C ATOM 236 CG LEU A 16 2.234 -9.873 17.918 1.00 0.00 C ATOM 237 CD1 LEU A 16 1.969 -10.434 19.306 1.00 0.00 C ATOM 238 CD2 LEU A 16 2.467 -10.999 16.921 1.00 0.00 C ATOM 0 H LEU A 16 -0.925 -8.236 16.026 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.182 -10.733 17.385 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.290 -8.620 16.464 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.024 -8.120 18.123 1.00 0.00 H new ATOM 0 HG LEU A 16 3.135 -9.261 17.962 1.00 0.00 H new ATOM 0 HD11 LEU A 16 2.807 -11.061 19.611 1.00 0.00 H new ATOM 0 HD12 LEU A 16 1.853 -9.613 20.014 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.057 -11.031 19.289 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.298 -11.618 17.259 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.567 -11.610 16.845 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.703 -10.577 15.944 1.00 0.00 H new ATOM 250 N TRP A 17 -1.940 -8.330 18.656 1.00 0.00 N ATOM 251 CA TRP A 17 -2.727 -7.919 19.812 1.00 0.00 C ATOM 252 C TRP A 17 -1.828 -7.372 20.916 1.00 0.00 C ATOM 253 O TRP A 17 -2.171 -7.436 22.097 1.00 0.00 O ATOM 254 CB TRP A 17 -3.547 -9.097 20.342 1.00 0.00 C ATOM 255 CG TRP A 17 -4.868 -8.689 20.921 1.00 0.00 C ATOM 256 CD1 TRP A 17 -5.785 -7.849 20.357 1.00 0.00 C ATOM 257 CD2 TRP A 17 -5.417 -9.102 22.177 1.00 0.00 C ATOM 258 NE1 TRP A 17 -6.872 -7.714 21.187 1.00 0.00 N ATOM 259 CE2 TRP A 17 -6.671 -8.474 22.310 1.00 0.00 C ATOM 260 CE3 TRP A 17 -4.973 -9.942 23.201 1.00 0.00 C ATOM 261 CZ2 TRP A 17 -7.482 -8.660 23.426 1.00 0.00 C ATOM 262 CZ3 TRP A 17 -5.779 -10.126 24.309 1.00 0.00 C ATOM 263 CH2 TRP A 17 -7.022 -9.488 24.414 1.00 0.00 C ATOM 0 H TRP A 17 -2.125 -7.795 17.808 1.00 0.00 H new ATOM 0 HA TRP A 17 -3.405 -7.127 19.495 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -3.717 -9.806 19.532 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -2.969 -9.618 21.105 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -5.673 -7.362 19.399 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -7.695 -7.141 20.998 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.017 -10.439 23.128 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -8.440 -8.168 23.509 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -5.445 -10.772 25.107 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -7.629 -9.653 25.292 1.00 0.00 H new ATOM 274 N ASP A 18 -0.678 -6.834 20.524 1.00 0.00 N ATOM 275 CA ASP A 18 0.269 -6.275 21.481 1.00 0.00 C ATOM 276 C ASP A 18 0.774 -7.350 22.439 1.00 0.00 C ATOM 277 O ASP A 18 0.149 -7.626 23.463 1.00 0.00 O ATOM 278 CB ASP A 18 -0.382 -5.137 22.269 1.00 0.00 C ATOM 279 CG ASP A 18 0.638 -4.171 22.840 1.00 0.00 C ATOM 280 OD1 ASP A 18 1.398 -4.576 23.744 1.00 0.00 O ATOM 281 OD2 ASP A 18 0.676 -3.009 22.383 1.00 0.00 O ATOM 0 H ASP A 18 -0.380 -6.773 19.551 1.00 0.00 H new ATOM 0 HA ASP A 18 1.120 -5.882 20.925 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.068 -4.594 21.618 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.977 -5.555 23.081 1.00 0.00 H new ATOM 286 N PHE A 19 1.907 -7.954 22.098 1.00 0.00 N ATOM 287 CA PHE A 19 2.495 -9.000 22.926 1.00 0.00 C ATOM 288 C PHE A 19 4.018 -8.979 22.829 1.00 0.00 C ATOM 289 O PHE A 19 4.582 -8.922 21.736 1.00 0.00 O ATOM 290 CB PHE A 19 1.965 -10.372 22.504 1.00 0.00 C ATOM 291 CG PHE A 19 1.644 -11.273 23.662 1.00 0.00 C ATOM 292 CD1 PHE A 19 0.491 -11.083 24.406 1.00 0.00 C ATOM 293 CD2 PHE A 19 2.497 -12.309 24.007 1.00 0.00 C ATOM 294 CE1 PHE A 19 0.193 -11.910 25.473 1.00 0.00 C ATOM 295 CE2 PHE A 19 2.204 -13.140 25.072 1.00 0.00 C ATOM 296 CZ PHE A 19 1.051 -12.940 25.807 1.00 0.00 C ATOM 0 H PHE A 19 2.437 -7.737 21.254 1.00 0.00 H new ATOM 0 HA PHE A 19 2.212 -8.811 23.961 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.068 -10.236 21.900 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.705 -10.859 21.869 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -0.183 -10.279 24.149 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.401 -12.469 23.438 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -0.709 -11.751 26.045 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.876 -13.945 25.330 1.00 0.00 H new ATOM 0 HZ PHE A 19 0.821 -13.587 26.640 1.00 0.00 H new ATOM 306 N LYS A 20 4.678 -9.025 23.981 1.00 0.00 N ATOM 307 CA LYS A 20 6.136 -9.012 24.029 1.00 0.00 C ATOM 308 C LYS A 20 6.658 -10.092 24.971 1.00 0.00 C ATOM 309 O LYS A 20 6.290 -10.136 26.145 1.00 0.00 O ATOM 310 CB LYS A 20 6.640 -7.639 24.479 1.00 0.00 C ATOM 311 CG LYS A 20 6.495 -6.561 23.420 1.00 0.00 C ATOM 312 CD LYS A 20 5.172 -5.825 23.551 1.00 0.00 C ATOM 313 CE LYS A 20 5.245 -4.434 22.938 1.00 0.00 C ATOM 314 NZ LYS A 20 4.321 -3.481 23.614 1.00 0.00 N ATOM 0 H LYS A 20 4.227 -9.072 24.895 1.00 0.00 H new ATOM 0 HA LYS A 20 6.510 -9.218 23.026 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.093 -7.335 25.372 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.690 -7.721 24.761 1.00 0.00 H new ATOM 0 HG2 LYS A 20 7.318 -5.851 23.507 1.00 0.00 H new ATOM 0 HG3 LYS A 20 6.566 -7.011 22.430 1.00 0.00 H new ATOM 0 HD2 LYS A 20 4.385 -6.399 23.061 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.901 -5.746 24.604 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.267 -4.060 23.007 1.00 0.00 H new ATOM 0 HE3 LYS A 20 4.997 -4.491 21.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.298 -2.585 23.086 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.365 -3.888 23.646 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.654 -3.303 24.583 1.00 0.00 H new ATOM 328 N SER A 21 7.520 -10.960 24.450 1.00 0.00 N ATOM 329 CA SER A 21 8.092 -12.040 25.245 1.00 0.00 C ATOM 330 C SER A 21 9.586 -11.824 25.460 1.00 0.00 C ATOM 331 O SER A 21 10.182 -12.396 26.373 1.00 0.00 O ATOM 332 CB SER A 21 7.853 -13.387 24.559 1.00 0.00 C ATOM 333 OG SER A 21 7.280 -14.322 25.457 1.00 0.00 O ATOM 0 H SER A 21 7.837 -10.936 23.481 1.00 0.00 H new ATOM 0 HA SER A 21 7.600 -12.043 26.218 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.194 -13.250 23.702 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.797 -13.776 24.177 1.00 0.00 H new ATOM 0 HG SER A 21 7.311 -15.218 25.061 1.00 0.00 H new ATOM 339 N ARG A 22 10.186 -10.994 24.613 1.00 0.00 N ATOM 340 CA ARG A 22 11.611 -10.703 24.709 1.00 0.00 C ATOM 341 C ARG A 22 12.439 -11.971 24.527 1.00 0.00 C ATOM 342 O ARG A 22 13.583 -12.050 24.976 1.00 0.00 O ATOM 343 CB ARG A 22 11.932 -10.061 26.059 1.00 0.00 C ATOM 344 CG ARG A 22 10.945 -8.981 26.471 1.00 0.00 C ATOM 345 CD ARG A 22 11.008 -7.783 25.537 1.00 0.00 C ATOM 346 NE ARG A 22 12.341 -7.187 25.501 1.00 0.00 N ATOM 347 CZ ARG A 22 12.830 -6.423 26.471 1.00 0.00 C ATOM 348 NH1 ARG A 22 12.101 -6.164 27.548 1.00 0.00 N ATOM 349 NH2 ARG A 22 14.052 -5.916 26.366 1.00 0.00 N ATOM 0 H ARG A 22 9.707 -10.511 23.853 1.00 0.00 H new ATOM 0 HA ARG A 22 11.868 -10.005 23.912 1.00 0.00 H new ATOM 0 HB2 ARG A 22 11.950 -10.836 26.825 1.00 0.00 H new ATOM 0 HB3 ARG A 22 12.932 -9.630 26.018 1.00 0.00 H new ATOM 0 HG2 ARG A 22 9.935 -9.391 26.471 1.00 0.00 H new ATOM 0 HG3 ARG A 22 11.159 -8.661 27.491 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.722 -8.092 24.532 1.00 0.00 H new ATOM 0 HD3 ARG A 22 10.284 -7.034 25.859 1.00 0.00 H new ATOM 0 HE ARG A 22 12.928 -7.367 24.687 1.00 0.00 H new ATOM 0 HH11 ARG A 22 11.162 -6.552 27.633 1.00 0.00 H new ATOM 0 HH12 ARG A 22 12.480 -5.577 28.291 1.00 0.00 H new ATOM 0 HH21 ARG A 22 14.617 -6.113 25.540 1.00 0.00 H new ATOM 0 HH22 ARG A 22 14.427 -5.329 27.112 1.00 0.00 H new ATOM 363 N THR A 23 11.854 -12.964 23.864 1.00 0.00 N ATOM 364 CA THR A 23 12.536 -14.230 23.624 1.00 0.00 C ATOM 365 C THR A 23 12.643 -14.522 22.132 1.00 0.00 C ATOM 366 O THR A 23 11.909 -13.953 21.324 1.00 0.00 O ATOM 367 CB THR A 23 11.808 -15.400 24.313 1.00 0.00 C ATOM 368 OG1 THR A 23 10.475 -15.515 23.805 1.00 0.00 O ATOM 369 CG2 THR A 23 11.767 -15.198 25.821 1.00 0.00 C ATOM 0 H THR A 23 10.909 -12.916 23.484 1.00 0.00 H new ATOM 0 HA THR A 23 13.536 -14.135 24.046 1.00 0.00 H new ATOM 0 HB THR A 23 12.357 -16.317 24.100 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.956 -16.115 24.381 1.00 0.00 H new ATOM 0 HG21 THR A 23 11.248 -16.036 26.286 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.784 -15.141 26.208 1.00 0.00 H new ATOM 0 HG23 THR A 23 11.239 -14.272 26.050 1.00 0.00 H new ATOM 377 N ASP A 24 13.562 -15.412 21.773 1.00 0.00 N ATOM 378 CA ASP A 24 13.764 -15.781 20.377 1.00 0.00 C ATOM 379 C ASP A 24 12.596 -16.614 19.860 1.00 0.00 C ATOM 380 O ASP A 24 12.388 -16.727 18.652 1.00 0.00 O ATOM 381 CB ASP A 24 15.072 -16.559 20.217 1.00 0.00 C ATOM 382 CG ASP A 24 16.280 -15.759 20.663 1.00 0.00 C ATOM 383 OD1 ASP A 24 16.357 -14.560 20.322 1.00 0.00 O ATOM 384 OD2 ASP A 24 17.147 -16.331 21.355 1.00 0.00 O ATOM 0 H ASP A 24 14.179 -15.891 22.429 1.00 0.00 H new ATOM 0 HA ASP A 24 13.821 -14.865 19.790 1.00 0.00 H new ATOM 0 HB2 ASP A 24 15.016 -17.481 20.796 1.00 0.00 H new ATOM 0 HB3 ASP A 24 15.195 -16.846 19.173 1.00 0.00 H new ATOM 389 N GLU A 25 11.837 -17.197 20.783 1.00 0.00 N ATOM 390 CA GLU A 25 10.691 -18.021 20.420 1.00 0.00 C ATOM 391 C GLU A 25 9.421 -17.179 20.329 1.00 0.00 C ATOM 392 O GLU A 25 8.316 -17.712 20.242 1.00 0.00 O ATOM 393 CB GLU A 25 10.498 -19.145 21.441 1.00 0.00 C ATOM 394 CG GLU A 25 10.440 -18.657 22.879 1.00 0.00 C ATOM 395 CD GLU A 25 9.523 -19.499 23.744 1.00 0.00 C ATOM 396 OE1 GLU A 25 10.006 -20.485 24.338 1.00 0.00 O ATOM 397 OE2 GLU A 25 8.320 -19.171 23.827 1.00 0.00 O ATOM 0 H GLU A 25 11.996 -17.114 21.787 1.00 0.00 H new ATOM 0 HA GLU A 25 10.887 -18.458 19.441 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.577 -19.680 21.210 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.315 -19.859 21.341 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.444 -18.667 23.303 1.00 0.00 H new ATOM 0 HG3 GLU A 25 10.098 -17.622 22.894 1.00 0.00 H new ATOM 404 N GLU A 26 9.590 -15.861 20.350 1.00 0.00 N ATOM 405 CA GLU A 26 8.458 -14.945 20.272 1.00 0.00 C ATOM 406 C GLU A 26 8.879 -13.610 19.663 1.00 0.00 C ATOM 407 O GLU A 26 10.057 -13.248 19.686 1.00 0.00 O ATOM 408 CB GLU A 26 7.860 -14.718 21.661 1.00 0.00 C ATOM 409 CG GLU A 26 6.996 -15.870 22.147 1.00 0.00 C ATOM 410 CD GLU A 26 5.752 -15.400 22.875 1.00 0.00 C ATOM 411 OE1 GLU A 26 5.131 -14.419 22.415 1.00 0.00 O ATOM 412 OE2 GLU A 26 5.400 -16.012 23.905 1.00 0.00 O ATOM 0 H GLU A 26 10.499 -15.404 20.420 1.00 0.00 H new ATOM 0 HA GLU A 26 7.703 -15.396 19.629 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.669 -14.556 22.373 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.261 -13.807 21.645 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.704 -16.484 21.295 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.583 -16.504 22.811 1.00 0.00 H new ATOM 419 N LEU A 27 7.910 -12.883 19.119 1.00 0.00 N ATOM 420 CA LEU A 27 8.179 -11.588 18.503 1.00 0.00 C ATOM 421 C LEU A 27 7.992 -10.457 19.510 1.00 0.00 C ATOM 422 O LEU A 27 6.935 -10.332 20.129 1.00 0.00 O ATOM 423 CB LEU A 27 7.260 -11.372 17.300 1.00 0.00 C ATOM 424 CG LEU A 27 7.189 -12.522 16.295 1.00 0.00 C ATOM 425 CD1 LEU A 27 6.518 -12.066 15.009 1.00 0.00 C ATOM 426 CD2 LEU A 27 8.581 -13.066 16.008 1.00 0.00 C ATOM 0 H LEU A 27 6.931 -13.168 19.092 1.00 0.00 H new ATOM 0 HA LEU A 27 9.215 -11.582 18.166 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.253 -11.175 17.668 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.588 -10.476 16.774 1.00 0.00 H new ATOM 0 HG LEU A 27 6.590 -13.322 16.729 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.476 -12.898 14.306 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.506 -11.725 15.228 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.090 -11.248 14.570 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.511 -13.884 15.291 1.00 0.00 H new ATOM 0 HD22 LEU A 27 9.204 -12.273 15.594 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.027 -13.432 16.933 1.00 0.00 H new ATOM 438 N SER A 28 9.025 -9.635 19.667 1.00 0.00 N ATOM 439 CA SER A 28 8.975 -8.515 20.600 1.00 0.00 C ATOM 440 C SER A 28 8.543 -7.235 19.889 1.00 0.00 C ATOM 441 O SER A 28 9.372 -6.396 19.539 1.00 0.00 O ATOM 442 CB SER A 28 10.341 -8.310 21.257 1.00 0.00 C ATOM 443 OG SER A 28 11.390 -8.686 20.382 1.00 0.00 O ATOM 0 H SER A 28 9.906 -9.723 19.161 1.00 0.00 H new ATOM 0 HA SER A 28 8.240 -8.748 21.371 1.00 0.00 H new ATOM 0 HB2 SER A 28 10.458 -7.264 21.541 1.00 0.00 H new ATOM 0 HB3 SER A 28 10.399 -8.898 22.173 1.00 0.00 H new ATOM 0 HG SER A 28 12.252 -8.544 20.825 1.00 0.00 H new ATOM 449 N PHE A 29 7.238 -7.094 19.681 1.00 0.00 N ATOM 450 CA PHE A 29 6.694 -5.918 19.011 1.00 0.00 C ATOM 451 C PHE A 29 5.211 -5.750 19.328 1.00 0.00 C ATOM 452 O PHE A 29 4.556 -6.680 19.797 1.00 0.00 O ATOM 453 CB PHE A 29 6.895 -6.028 17.498 1.00 0.00 C ATOM 454 CG PHE A 29 5.889 -6.915 16.823 1.00 0.00 C ATOM 455 CD1 PHE A 29 6.004 -8.294 16.893 1.00 0.00 C ATOM 456 CD2 PHE A 29 4.828 -6.370 16.117 1.00 0.00 C ATOM 457 CE1 PHE A 29 5.079 -9.114 16.273 1.00 0.00 C ATOM 458 CE2 PHE A 29 3.901 -7.185 15.495 1.00 0.00 C ATOM 459 CZ PHE A 29 4.027 -8.558 15.572 1.00 0.00 C ATOM 0 H PHE A 29 6.538 -7.779 19.966 1.00 0.00 H new ATOM 0 HA PHE A 29 7.228 -5.041 19.378 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.842 -5.032 17.059 1.00 0.00 H new ATOM 0 HB3 PHE A 29 7.896 -6.411 17.299 1.00 0.00 H new ATOM 0 HD1 PHE A 29 6.826 -8.734 17.438 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.724 -5.297 16.052 1.00 0.00 H new ATOM 0 HE1 PHE A 29 5.179 -10.187 16.337 1.00 0.00 H new ATOM 0 HE2 PHE A 29 3.078 -6.748 14.949 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.304 -9.196 15.085 1.00 0.00 H new ATOM 469 N ARG A 30 4.688 -4.556 19.068 1.00 0.00 N ATOM 470 CA ARG A 30 3.283 -4.264 19.326 1.00 0.00 C ATOM 471 C ARG A 30 2.461 -4.371 18.046 1.00 0.00 C ATOM 472 O ARG A 30 2.970 -4.142 16.949 1.00 0.00 O ATOM 473 CB ARG A 30 3.133 -2.864 19.926 1.00 0.00 C ATOM 474 CG ARG A 30 3.353 -1.745 18.921 1.00 0.00 C ATOM 475 CD ARG A 30 3.130 -0.379 19.551 1.00 0.00 C ATOM 476 NE ARG A 30 3.671 0.699 18.728 1.00 0.00 N ATOM 477 CZ ARG A 30 3.063 1.175 17.648 1.00 0.00 C ATOM 478 NH1 ARG A 30 1.898 0.672 17.263 1.00 0.00 N ATOM 479 NH2 ARG A 30 3.619 2.157 16.950 1.00 0.00 N ATOM 0 H ARG A 30 5.216 -3.775 18.679 1.00 0.00 H new ATOM 0 HA ARG A 30 2.910 -5.000 20.039 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.135 -2.766 20.354 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.843 -2.751 20.745 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.367 -1.804 18.526 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.674 -1.873 18.078 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.062 -0.219 19.701 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.598 -0.353 20.535 1.00 0.00 H new ATOM 0 HE ARG A 30 4.565 1.109 18.998 1.00 0.00 H new ATOM 0 HH11 ARG A 30 1.467 -0.083 17.797 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.433 1.040 16.433 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.515 2.547 17.243 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.151 2.522 16.120 1.00 0.00 H new ATOM 493 N ALA A 31 1.188 -4.722 18.194 1.00 0.00 N ATOM 494 CA ALA A 31 0.295 -4.858 17.049 1.00 0.00 C ATOM 495 C ALA A 31 0.351 -3.621 16.159 1.00 0.00 C ATOM 496 O ALA A 31 0.731 -2.540 16.606 1.00 0.00 O ATOM 497 CB ALA A 31 -1.130 -5.109 17.519 1.00 0.00 C ATOM 0 H ALA A 31 0.752 -4.917 19.095 1.00 0.00 H new ATOM 0 HA ALA A 31 0.627 -5.712 16.459 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.786 -5.209 16.654 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.163 -6.026 18.107 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.463 -4.272 18.133 1.00 0.00 H new ATOM 503 N GLY A 32 -0.031 -3.789 14.897 1.00 0.00 N ATOM 504 CA GLY A 32 -0.016 -2.677 13.964 1.00 0.00 C ATOM 505 C GLY A 32 1.153 -2.743 13.002 1.00 0.00 C ATOM 506 O GLY A 32 1.121 -2.134 11.932 1.00 0.00 O ATOM 0 H GLY A 32 -0.350 -4.674 14.504 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.948 -2.669 13.399 1.00 0.00 H new ATOM 0 HA3 GLY A 32 0.028 -1.741 14.520 1.00 0.00 H new ATOM 510 N ASP A 33 2.189 -3.483 13.383 1.00 0.00 N ATOM 511 CA ASP A 33 3.375 -3.626 12.546 1.00 0.00 C ATOM 512 C ASP A 33 3.166 -4.702 11.486 1.00 0.00 C ATOM 513 O ASP A 33 2.366 -5.620 11.668 1.00 0.00 O ATOM 514 CB ASP A 33 4.593 -3.968 13.406 1.00 0.00 C ATOM 515 CG ASP A 33 5.338 -2.733 13.873 1.00 0.00 C ATOM 516 OD1 ASP A 33 5.518 -1.805 13.057 1.00 0.00 O ATOM 517 OD2 ASP A 33 5.743 -2.695 15.054 1.00 0.00 O ATOM 0 H ASP A 33 2.231 -3.993 14.265 1.00 0.00 H new ATOM 0 HA ASP A 33 3.551 -2.676 12.042 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.271 -4.544 14.274 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.270 -4.603 12.835 1.00 0.00 H new ATOM 522 N VAL A 34 3.890 -4.583 10.378 1.00 0.00 N ATOM 523 CA VAL A 34 3.784 -5.546 9.288 1.00 0.00 C ATOM 524 C VAL A 34 4.992 -6.475 9.256 1.00 0.00 C ATOM 525 O VAL A 34 6.127 -6.042 9.454 1.00 0.00 O ATOM 526 CB VAL A 34 3.657 -4.840 7.925 1.00 0.00 C ATOM 527 CG1 VAL A 34 2.408 -3.972 7.887 1.00 0.00 C ATOM 528 CG2 VAL A 34 4.901 -4.011 7.637 1.00 0.00 C ATOM 0 H VAL A 34 4.557 -3.829 10.211 1.00 0.00 H new ATOM 0 HA VAL A 34 2.883 -6.132 9.470 1.00 0.00 H new ATOM 0 HB VAL A 34 3.566 -5.600 7.149 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.335 -3.481 6.916 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.527 -4.594 8.046 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.465 -3.218 8.672 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.795 -3.519 6.670 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.025 -3.258 8.416 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.775 -4.661 7.619 1.00 0.00 H new ATOM 538 N PHE A 35 4.740 -7.756 9.005 1.00 0.00 N ATOM 539 CA PHE A 35 5.807 -8.748 8.948 1.00 0.00 C ATOM 540 C PHE A 35 5.491 -9.828 7.918 1.00 0.00 C ATOM 541 O PHE A 35 4.353 -9.955 7.463 1.00 0.00 O ATOM 542 CB PHE A 35 6.015 -9.385 10.324 1.00 0.00 C ATOM 543 CG PHE A 35 4.733 -9.660 11.057 1.00 0.00 C ATOM 544 CD1 PHE A 35 4.159 -8.690 11.863 1.00 0.00 C ATOM 545 CD2 PHE A 35 4.103 -10.888 10.940 1.00 0.00 C ATOM 546 CE1 PHE A 35 2.979 -8.940 12.539 1.00 0.00 C ATOM 547 CE2 PHE A 35 2.923 -11.143 11.613 1.00 0.00 C ATOM 548 CZ PHE A 35 2.361 -10.168 12.414 1.00 0.00 C ATOM 0 H PHE A 35 3.806 -8.131 8.838 1.00 0.00 H new ATOM 0 HA PHE A 35 6.724 -8.241 8.648 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.563 -10.319 10.204 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.637 -8.726 10.930 1.00 0.00 H new ATOM 0 HD1 PHE A 35 4.639 -7.728 11.964 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.539 -11.655 10.316 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.541 -8.176 13.164 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.441 -12.104 11.513 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.440 -10.366 12.942 1.00 0.00 H new ATOM 558 N HIS A 36 6.506 -10.605 7.553 1.00 0.00 N ATOM 559 CA HIS A 36 6.337 -11.675 6.576 1.00 0.00 C ATOM 560 C HIS A 36 6.807 -13.010 7.146 1.00 0.00 C ATOM 561 O HIS A 36 7.557 -13.051 8.121 1.00 0.00 O ATOM 562 CB HIS A 36 7.110 -11.353 5.297 1.00 0.00 C ATOM 563 CG HIS A 36 6.763 -12.247 4.146 1.00 0.00 C ATOM 564 ND1 HIS A 36 5.588 -12.135 3.434 1.00 0.00 N ATOM 565 CD2 HIS A 36 7.446 -13.272 3.584 1.00 0.00 C ATOM 566 CE1 HIS A 36 5.562 -13.053 2.484 1.00 0.00 C ATOM 567 NE2 HIS A 36 6.678 -13.756 2.554 1.00 0.00 N ATOM 0 H HIS A 36 7.454 -10.514 7.919 1.00 0.00 H new ATOM 0 HA HIS A 36 5.276 -11.754 6.340 1.00 0.00 H new ATOM 0 HB2 HIS A 36 6.914 -10.319 5.015 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.178 -11.432 5.498 1.00 0.00 H new ATOM 0 HD2 HIS A 36 8.414 -13.640 3.889 1.00 0.00 H new ATOM 0 HE1 HIS A 36 4.764 -13.203 1.772 1.00 0.00 H new ATOM 0 HE2 HIS A 36 6.929 -14.533 1.942 1.00 0.00 H new ATOM 575 N VAL A 37 6.358 -14.100 6.532 1.00 0.00 N ATOM 576 CA VAL A 37 6.733 -15.437 6.978 1.00 0.00 C ATOM 577 C VAL A 37 7.980 -15.929 6.254 1.00 0.00 C ATOM 578 O VAL A 37 8.061 -15.872 5.027 1.00 0.00 O ATOM 579 CB VAL A 37 5.590 -16.445 6.752 1.00 0.00 C ATOM 580 CG1 VAL A 37 4.394 -16.101 7.627 1.00 0.00 C ATOM 581 CG2 VAL A 37 5.194 -16.480 5.284 1.00 0.00 C ATOM 0 H VAL A 37 5.735 -14.084 5.725 1.00 0.00 H new ATOM 0 HA VAL A 37 6.941 -15.367 8.046 1.00 0.00 H new ATOM 0 HB VAL A 37 5.943 -17.437 7.034 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.597 -16.824 7.454 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.690 -16.131 8.676 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.038 -15.101 7.379 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.385 -17.197 5.142 1.00 0.00 H new ATOM 0 HG22 VAL A 37 4.860 -15.490 4.974 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.053 -16.778 4.682 1.00 0.00 H new ATOM 591 N ALA A 38 8.952 -16.413 7.021 1.00 0.00 N ATOM 592 CA ALA A 38 10.195 -16.918 6.452 1.00 0.00 C ATOM 593 C ALA A 38 10.110 -18.417 6.190 1.00 0.00 C ATOM 594 O ALA A 38 10.425 -18.884 5.095 1.00 0.00 O ATOM 595 CB ALA A 38 11.363 -16.607 7.377 1.00 0.00 C ATOM 0 H ALA A 38 8.902 -16.466 8.038 1.00 0.00 H new ATOM 0 HA ALA A 38 10.358 -16.418 5.497 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.285 -16.990 6.940 1.00 0.00 H new ATOM 0 HB2 ALA A 38 11.445 -15.528 7.510 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.197 -17.080 8.345 1.00 0.00 H new ATOM 601 N ARG A 39 9.682 -19.167 7.201 1.00 0.00 N ATOM 602 CA ARG A 39 9.557 -20.614 7.079 1.00 0.00 C ATOM 603 C ARG A 39 8.178 -21.081 7.536 1.00 0.00 C ATOM 604 O ARG A 39 7.658 -20.617 8.551 1.00 0.00 O ATOM 605 CB ARG A 39 10.642 -21.312 7.902 1.00 0.00 C ATOM 606 CG ARG A 39 11.063 -22.659 7.337 1.00 0.00 C ATOM 607 CD ARG A 39 12.485 -23.013 7.742 1.00 0.00 C ATOM 608 NE ARG A 39 12.978 -24.191 7.035 1.00 0.00 N ATOM 609 CZ ARG A 39 14.265 -24.508 6.942 1.00 0.00 C ATOM 610 NH1 ARG A 39 15.183 -23.738 7.510 1.00 0.00 N ATOM 611 NH2 ARG A 39 14.636 -25.597 6.281 1.00 0.00 N ATOM 0 H ARG A 39 9.416 -18.796 8.113 1.00 0.00 H new ATOM 0 HA ARG A 39 9.681 -20.877 6.029 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.516 -20.663 7.961 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.280 -21.452 8.921 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.380 -23.432 7.689 1.00 0.00 H new ATOM 0 HG3 ARG A 39 10.988 -22.638 6.250 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.141 -22.167 7.538 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.522 -23.193 8.816 1.00 0.00 H new ATOM 0 HE ARG A 39 12.297 -24.805 6.588 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.902 -22.900 8.020 1.00 0.00 H new ATOM 0 HH12 ARG A 39 16.170 -23.983 7.437 1.00 0.00 H new ATOM 0 HH21 ARG A 39 13.933 -26.192 5.843 1.00 0.00 H new ATOM 0 HH22 ARG A 39 15.624 -25.839 6.211 1.00 0.00 H new ATOM 625 N LYS A 40 7.591 -22.002 6.780 1.00 0.00 N ATOM 626 CA LYS A 40 6.273 -22.534 7.106 1.00 0.00 C ATOM 627 C LYS A 40 6.371 -23.980 7.580 1.00 0.00 C ATOM 628 O LYS A 40 6.644 -24.884 6.790 1.00 0.00 O ATOM 629 CB LYS A 40 5.349 -22.447 5.889 1.00 0.00 C ATOM 630 CG LYS A 40 5.990 -22.939 4.603 1.00 0.00 C ATOM 631 CD LYS A 40 5.055 -22.778 3.416 1.00 0.00 C ATOM 632 CE LYS A 40 4.110 -23.963 3.285 1.00 0.00 C ATOM 633 NZ LYS A 40 2.959 -23.861 4.224 1.00 0.00 N ATOM 0 H LYS A 40 8.007 -22.396 5.936 1.00 0.00 H new ATOM 0 HA LYS A 40 5.857 -21.933 7.914 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.450 -23.031 6.084 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.034 -21.412 5.755 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.911 -22.385 4.420 1.00 0.00 H new ATOM 0 HG3 LYS A 40 6.265 -23.988 4.711 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.477 -21.861 3.529 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.640 -22.675 2.502 1.00 0.00 H new ATOM 0 HE2 LYS A 40 3.740 -24.021 2.261 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.656 -24.886 3.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 2.098 -24.209 3.756 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 3.149 -24.435 5.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 2.825 -22.868 4.502 1.00 0.00 H new ATOM 647 N GLU A 41 6.147 -24.191 8.873 1.00 0.00 N ATOM 648 CA GLU A 41 6.211 -25.529 9.451 1.00 0.00 C ATOM 649 C GLU A 41 4.822 -26.012 9.858 1.00 0.00 C ATOM 650 O GLU A 41 3.897 -25.215 10.011 1.00 0.00 O ATOM 651 CB GLU A 41 7.143 -25.541 10.664 1.00 0.00 C ATOM 652 CG GLU A 41 8.072 -26.742 10.706 1.00 0.00 C ATOM 653 CD GLU A 41 8.898 -26.885 9.442 1.00 0.00 C ATOM 654 OE1 GLU A 41 9.375 -25.853 8.925 1.00 0.00 O ATOM 655 OE2 GLU A 41 9.067 -28.029 8.969 1.00 0.00 O ATOM 0 H GLU A 41 5.920 -23.454 9.540 1.00 0.00 H new ATOM 0 HA GLU A 41 6.605 -26.206 8.693 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.741 -24.630 10.661 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.542 -25.525 11.573 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.739 -26.651 11.563 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.483 -27.647 10.855 1.00 0.00 H new ATOM 662 N GLU A 42 4.685 -27.323 10.030 1.00 0.00 N ATOM 663 CA GLU A 42 3.409 -27.913 10.418 1.00 0.00 C ATOM 664 C GLU A 42 3.097 -27.620 11.883 1.00 0.00 C ATOM 665 O GLU A 42 1.938 -27.634 12.296 1.00 0.00 O ATOM 666 CB GLU A 42 3.427 -29.424 10.181 1.00 0.00 C ATOM 667 CG GLU A 42 4.256 -30.190 11.199 1.00 0.00 C ATOM 668 CD GLU A 42 4.245 -31.686 10.954 1.00 0.00 C ATOM 669 OE1 GLU A 42 3.370 -32.157 10.197 1.00 0.00 O ATOM 670 OE2 GLU A 42 5.112 -32.386 11.519 1.00 0.00 O ATOM 0 H GLU A 42 5.441 -27.996 9.907 1.00 0.00 H new ATOM 0 HA GLU A 42 2.629 -27.466 9.802 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.404 -29.799 10.202 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.818 -29.622 9.183 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.284 -29.829 11.171 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.874 -29.987 12.200 1.00 0.00 H new ATOM 677 N GLN A 43 4.141 -27.356 12.663 1.00 0.00 N ATOM 678 CA GLN A 43 3.979 -27.062 14.082 1.00 0.00 C ATOM 679 C GLN A 43 3.950 -25.556 14.325 1.00 0.00 C ATOM 680 O GLN A 43 2.894 -24.979 14.583 1.00 0.00 O ATOM 681 CB GLN A 43 5.110 -27.700 14.889 1.00 0.00 C ATOM 682 CG GLN A 43 4.810 -29.120 15.340 1.00 0.00 C ATOM 683 CD GLN A 43 4.520 -29.212 16.825 1.00 0.00 C ATOM 684 OE1 GLN A 43 5.415 -29.047 17.655 1.00 0.00 O ATOM 685 NE2 GLN A 43 3.266 -29.477 17.169 1.00 0.00 N ATOM 0 H GLN A 43 5.107 -27.340 12.336 1.00 0.00 H new ATOM 0 HA GLN A 43 3.028 -27.483 14.409 1.00 0.00 H new ATOM 0 HB2 GLN A 43 6.018 -27.703 14.286 1.00 0.00 H new ATOM 0 HB3 GLN A 43 5.312 -27.084 15.766 1.00 0.00 H new ATOM 0 HG2 GLN A 43 3.954 -29.501 14.782 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.658 -29.761 15.099 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.556 -29.606 16.448 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.012 -29.551 18.154 1.00 0.00 H new ATOM 694 N TRP A 44 5.117 -24.927 14.243 1.00 0.00 N ATOM 695 CA TRP A 44 5.225 -23.488 14.455 1.00 0.00 C ATOM 696 C TRP A 44 5.496 -22.763 13.142 1.00 0.00 C ATOM 697 O TRP A 44 5.999 -23.356 12.187 1.00 0.00 O ATOM 698 CB TRP A 44 6.338 -23.183 15.459 1.00 0.00 C ATOM 699 CG TRP A 44 6.081 -23.751 16.822 1.00 0.00 C ATOM 700 CD1 TRP A 44 6.714 -24.815 17.399 1.00 0.00 C ATOM 701 CD2 TRP A 44 5.120 -23.288 17.777 1.00 0.00 C ATOM 702 NE1 TRP A 44 6.205 -25.040 18.655 1.00 0.00 N ATOM 703 CE2 TRP A 44 5.226 -24.116 18.911 1.00 0.00 C ATOM 704 CE3 TRP A 44 4.182 -22.252 17.785 1.00 0.00 C ATOM 705 CZ2 TRP A 44 4.429 -23.940 20.039 1.00 0.00 C ATOM 706 CZ3 TRP A 44 3.391 -22.079 18.905 1.00 0.00 C ATOM 707 CH2 TRP A 44 3.519 -22.919 20.019 1.00 0.00 C ATOM 0 H TRP A 44 6.001 -25.390 14.031 1.00 0.00 H new ATOM 0 HA TRP A 44 4.276 -23.132 14.855 1.00 0.00 H new ATOM 0 HB2 TRP A 44 7.279 -23.581 15.079 1.00 0.00 H new ATOM 0 HB3 TRP A 44 6.458 -22.103 15.540 1.00 0.00 H new ATOM 0 HD1 TRP A 44 7.499 -25.394 16.936 1.00 0.00 H new ATOM 0 HE1 TRP A 44 6.507 -25.776 19.294 1.00 0.00 H new ATOM 0 HE3 TRP A 44 4.077 -21.599 16.932 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 4.526 -24.586 20.899 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.662 -21.283 18.922 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.886 -22.757 20.879 1.00 0.00 H new ATOM 718 N TRP A 45 5.160 -21.479 13.100 1.00 0.00 N ATOM 719 CA TRP A 45 5.368 -20.673 11.902 1.00 0.00 C ATOM 720 C TRP A 45 6.454 -19.628 12.131 1.00 0.00 C ATOM 721 O TRP A 45 6.408 -18.875 13.103 1.00 0.00 O ATOM 722 CB TRP A 45 4.063 -19.989 11.490 1.00 0.00 C ATOM 723 CG TRP A 45 3.294 -20.752 10.454 1.00 0.00 C ATOM 724 CD1 TRP A 45 3.667 -20.982 9.160 1.00 0.00 C ATOM 725 CD2 TRP A 45 2.020 -21.384 10.624 1.00 0.00 C ATOM 726 NE1 TRP A 45 2.702 -21.718 8.516 1.00 0.00 N ATOM 727 CE2 TRP A 45 1.682 -21.978 9.393 1.00 0.00 C ATOM 728 CE3 TRP A 45 1.134 -21.507 11.698 1.00 0.00 C ATOM 729 CZ2 TRP A 45 0.495 -22.682 9.208 1.00 0.00 C ATOM 730 CZ3 TRP A 45 -0.043 -22.206 11.512 1.00 0.00 C ATOM 731 CH2 TRP A 45 -0.354 -22.787 10.276 1.00 0.00 C ATOM 0 H TRP A 45 4.742 -20.973 13.881 1.00 0.00 H new ATOM 0 HA TRP A 45 5.692 -21.336 11.100 1.00 0.00 H new ATOM 0 HB2 TRP A 45 3.437 -19.856 12.372 1.00 0.00 H new ATOM 0 HB3 TRP A 45 4.288 -18.994 11.106 1.00 0.00 H new ATOM 0 HD1 TRP A 45 4.586 -20.636 8.709 1.00 0.00 H new ATOM 0 HE1 TRP A 45 2.739 -22.022 7.543 1.00 0.00 H new ATOM 0 HE3 TRP A 45 1.365 -21.064 12.655 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.253 -23.129 8.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -0.736 -22.306 12.334 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -1.282 -23.328 10.164 1.00 0.00 H new ATOM 742 N TRP A 46 7.429 -19.588 11.230 1.00 0.00 N ATOM 743 CA TRP A 46 8.527 -18.633 11.334 1.00 0.00 C ATOM 744 C TRP A 46 8.115 -17.269 10.793 1.00 0.00 C ATOM 745 O TRP A 46 7.716 -17.145 9.636 1.00 0.00 O ATOM 746 CB TRP A 46 9.751 -19.148 10.576 1.00 0.00 C ATOM 747 CG TRP A 46 10.682 -19.955 11.430 1.00 0.00 C ATOM 748 CD1 TRP A 46 10.385 -21.104 12.107 1.00 0.00 C ATOM 749 CD2 TRP A 46 12.060 -19.673 11.699 1.00 0.00 C ATOM 750 NE1 TRP A 46 11.496 -21.552 12.781 1.00 0.00 N ATOM 751 CE2 TRP A 46 12.536 -20.693 12.546 1.00 0.00 C ATOM 752 CE3 TRP A 46 12.938 -18.660 11.306 1.00 0.00 C ATOM 753 CZ2 TRP A 46 13.850 -20.725 13.005 1.00 0.00 C ATOM 754 CZ3 TRP A 46 14.241 -18.693 11.763 1.00 0.00 C ATOM 755 CH2 TRP A 46 14.688 -19.720 12.604 1.00 0.00 C ATOM 0 H TRP A 46 7.482 -20.205 10.420 1.00 0.00 H new ATOM 0 HA TRP A 46 8.781 -18.523 12.388 1.00 0.00 H new ATOM 0 HB2 TRP A 46 9.419 -19.758 9.736 1.00 0.00 H new ATOM 0 HB3 TRP A 46 10.295 -18.300 10.159 1.00 0.00 H new ATOM 0 HD1 TRP A 46 9.420 -21.589 12.112 1.00 0.00 H new ATOM 0 HE1 TRP A 46 11.539 -22.389 13.362 1.00 0.00 H new ATOM 0 HE3 TRP A 46 12.604 -17.865 10.656 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 14.196 -21.515 13.655 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 14.927 -17.913 11.467 1.00 0.00 H new ATOM 0 HH2 TRP A 46 15.714 -19.719 12.943 1.00 0.00 H new ATOM 766 N ALA A 47 8.216 -16.247 11.637 1.00 0.00 N ATOM 767 CA ALA A 47 7.856 -14.891 11.242 1.00 0.00 C ATOM 768 C ALA A 47 8.998 -13.918 11.515 1.00 0.00 C ATOM 769 O ALA A 47 9.759 -14.089 12.469 1.00 0.00 O ATOM 770 CB ALA A 47 6.596 -14.446 11.969 1.00 0.00 C ATOM 0 H ALA A 47 8.544 -16.333 12.599 1.00 0.00 H new ATOM 0 HA ALA A 47 7.662 -14.891 10.169 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.339 -13.432 11.664 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.775 -15.119 11.720 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.770 -14.469 13.045 1.00 0.00 H new ATOM 776 N THR A 48 9.114 -12.897 10.672 1.00 0.00 N ATOM 777 CA THR A 48 10.165 -11.898 10.822 1.00 0.00 C ATOM 778 C THR A 48 9.599 -10.486 10.720 1.00 0.00 C ATOM 779 O THR A 48 8.898 -10.154 9.763 1.00 0.00 O ATOM 780 CB THR A 48 11.265 -12.076 9.758 1.00 0.00 C ATOM 781 OG1 THR A 48 11.738 -13.427 9.764 1.00 0.00 O ATOM 782 CG2 THR A 48 12.425 -11.126 10.016 1.00 0.00 C ATOM 0 H THR A 48 8.493 -12.740 9.878 1.00 0.00 H new ATOM 0 HA THR A 48 10.600 -12.042 11.811 1.00 0.00 H new ATOM 0 HB THR A 48 10.837 -11.846 8.782 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.436 -13.532 9.084 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.190 -11.270 9.252 1.00 0.00 H new ATOM 0 HG22 THR A 48 12.067 -10.097 9.982 1.00 0.00 H new ATOM 0 HG23 THR A 48 12.851 -11.330 10.999 1.00 0.00 H new ATOM 790 N LEU A 49 9.908 -9.657 11.712 1.00 0.00 N ATOM 791 CA LEU A 49 9.430 -8.279 11.733 1.00 0.00 C ATOM 792 C LEU A 49 10.473 -7.332 11.149 1.00 0.00 C ATOM 793 O LEU A 49 11.577 -7.203 11.680 1.00 0.00 O ATOM 794 CB LEU A 49 9.089 -7.859 13.164 1.00 0.00 C ATOM 795 CG LEU A 49 8.997 -6.354 13.419 1.00 0.00 C ATOM 796 CD1 LEU A 49 7.862 -5.745 12.611 1.00 0.00 C ATOM 797 CD2 LEU A 49 8.808 -6.075 14.902 1.00 0.00 C ATOM 0 H LEU A 49 10.487 -9.915 12.511 1.00 0.00 H new ATOM 0 HA LEU A 49 8.531 -8.223 11.120 1.00 0.00 H new ATOM 0 HB2 LEU A 49 8.136 -8.312 13.437 1.00 0.00 H new ATOM 0 HB3 LEU A 49 9.843 -8.275 13.833 1.00 0.00 H new ATOM 0 HG LEU A 49 9.931 -5.893 13.100 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.811 -4.674 12.805 1.00 0.00 H new ATOM 0 HD12 LEU A 49 8.040 -5.914 11.549 1.00 0.00 H new ATOM 0 HD13 LEU A 49 6.920 -6.211 12.899 1.00 0.00 H new ATOM 0 HD21 LEU A 49 8.745 -4.999 15.065 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.889 -6.549 15.247 1.00 0.00 H new ATOM 0 HD23 LEU A 49 9.655 -6.477 15.459 1.00 0.00 H new ATOM 809 N LEU A 50 10.116 -6.670 10.054 1.00 0.00 N ATOM 810 CA LEU A 50 11.021 -5.732 9.398 1.00 0.00 C ATOM 811 C LEU A 50 10.529 -4.297 9.560 1.00 0.00 C ATOM 812 O LEU A 50 9.354 -4.061 9.842 1.00 0.00 O ATOM 813 CB LEU A 50 11.152 -6.073 7.913 1.00 0.00 C ATOM 814 CG LEU A 50 10.808 -7.511 7.522 1.00 0.00 C ATOM 815 CD1 LEU A 50 10.899 -7.690 6.015 1.00 0.00 C ATOM 816 CD2 LEU A 50 11.728 -8.492 8.234 1.00 0.00 C ATOM 0 H LEU A 50 9.207 -6.765 9.602 1.00 0.00 H new ATOM 0 HA LEU A 50 11.999 -5.817 9.872 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.507 -5.400 7.348 1.00 0.00 H new ATOM 0 HB3 LEU A 50 12.177 -5.868 7.603 1.00 0.00 H new ATOM 0 HG LEU A 50 9.783 -7.716 7.831 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.651 -8.719 5.755 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.199 -7.013 5.525 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.913 -7.466 5.683 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.469 -9.510 7.944 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.762 -8.288 7.957 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.613 -8.382 9.312 1.00 0.00 H new ATOM 828 N ASP A 51 11.435 -3.343 9.379 1.00 0.00 N ATOM 829 CA ASP A 51 11.092 -1.930 9.502 1.00 0.00 C ATOM 830 C ASP A 51 10.435 -1.417 8.224 1.00 0.00 C ATOM 831 O ASP A 51 10.255 -2.166 7.265 1.00 0.00 O ATOM 832 CB ASP A 51 12.342 -1.106 9.814 1.00 0.00 C ATOM 833 CG ASP A 51 12.069 0.006 10.808 1.00 0.00 C ATOM 834 OD1 ASP A 51 11.236 -0.200 11.715 1.00 0.00 O ATOM 835 OD2 ASP A 51 12.689 1.082 10.679 1.00 0.00 O ATOM 0 H ASP A 51 12.412 -3.521 9.147 1.00 0.00 H new ATOM 0 HA ASP A 51 10.382 -1.823 10.322 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.117 -1.762 10.211 1.00 0.00 H new ATOM 0 HB3 ASP A 51 12.731 -0.677 8.891 1.00 0.00 H new ATOM 840 N GLU A 52 10.079 -0.136 8.221 1.00 0.00 N ATOM 841 CA GLU A 52 9.441 0.475 7.061 1.00 0.00 C ATOM 842 C GLU A 52 10.318 0.337 5.821 1.00 0.00 C ATOM 843 O GLU A 52 9.825 0.351 4.694 1.00 0.00 O ATOM 844 CB GLU A 52 9.149 1.953 7.332 1.00 0.00 C ATOM 845 CG GLU A 52 10.391 2.771 7.641 1.00 0.00 C ATOM 846 CD GLU A 52 10.096 3.970 8.521 1.00 0.00 C ATOM 847 OE1 GLU A 52 9.019 4.580 8.352 1.00 0.00 O ATOM 848 OE2 GLU A 52 10.942 4.299 9.378 1.00 0.00 O ATOM 0 H GLU A 52 10.221 0.498 9.008 1.00 0.00 H new ATOM 0 HA GLU A 52 8.501 -0.046 6.879 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.649 2.381 6.463 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.456 2.030 8.169 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.127 2.135 8.134 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.839 3.112 6.707 1.00 0.00 H new ATOM 855 N ALA A 53 11.623 0.206 6.038 1.00 0.00 N ATOM 856 CA ALA A 53 12.570 0.064 4.939 1.00 0.00 C ATOM 857 C ALA A 53 12.605 -1.371 4.425 1.00 0.00 C ATOM 858 O ALA A 53 13.069 -1.633 3.317 1.00 0.00 O ATOM 859 CB ALA A 53 13.959 0.503 5.379 1.00 0.00 C ATOM 0 H ALA A 53 12.048 0.195 6.965 1.00 0.00 H new ATOM 0 HA ALA A 53 12.239 0.706 4.123 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.656 0.392 4.548 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.929 1.547 5.690 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.288 -0.115 6.214 1.00 0.00 H new ATOM 865 N GLY A 54 12.110 -2.299 5.240 1.00 0.00 N ATOM 866 CA GLY A 54 12.095 -3.697 4.851 1.00 0.00 C ATOM 867 C GLY A 54 13.190 -4.498 5.526 1.00 0.00 C ATOM 868 O GLY A 54 13.148 -5.728 5.543 1.00 0.00 O ATOM 0 H GLY A 54 11.719 -2.107 6.162 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.126 -4.130 5.100 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.209 -3.771 3.769 1.00 0.00 H new ATOM 872 N GLY A 55 14.175 -3.800 6.083 1.00 0.00 N ATOM 873 CA GLY A 55 15.273 -4.472 6.753 1.00 0.00 C ATOM 874 C GLY A 55 14.843 -5.144 8.041 1.00 0.00 C ATOM 875 O GLY A 55 14.350 -4.487 8.957 1.00 0.00 O ATOM 0 H GLY A 55 14.232 -2.782 6.082 1.00 0.00 H new ATOM 0 HA2 GLY A 55 15.701 -5.218 6.083 1.00 0.00 H new ATOM 0 HA3 GLY A 55 16.059 -3.749 6.969 1.00 0.00 H new ATOM 879 N ALA A 56 15.026 -6.458 8.111 1.00 0.00 N ATOM 880 CA ALA A 56 14.653 -7.220 9.296 1.00 0.00 C ATOM 881 C ALA A 56 15.329 -6.660 10.543 1.00 0.00 C ATOM 882 O ALA A 56 16.492 -6.260 10.505 1.00 0.00 O ATOM 883 CB ALA A 56 15.010 -8.688 9.114 1.00 0.00 C ATOM 0 H ALA A 56 15.431 -7.017 7.360 1.00 0.00 H new ATOM 0 HA ALA A 56 13.575 -7.134 9.429 1.00 0.00 H new ATOM 0 HB1 ALA A 56 14.726 -9.245 10.007 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.477 -9.088 8.252 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.084 -8.784 8.953 1.00 0.00 H new ATOM 889 N VAL A 57 14.591 -6.634 11.649 1.00 0.00 N ATOM 890 CA VAL A 57 15.119 -6.123 12.908 1.00 0.00 C ATOM 891 C VAL A 57 15.054 -7.183 14.002 1.00 0.00 C ATOM 892 O VAL A 57 16.009 -7.373 14.755 1.00 0.00 O ATOM 893 CB VAL A 57 14.350 -4.873 13.374 1.00 0.00 C ATOM 894 CG1 VAL A 57 14.964 -3.615 12.779 1.00 0.00 C ATOM 895 CG2 VAL A 57 12.879 -4.985 13.003 1.00 0.00 C ATOM 0 H VAL A 57 13.626 -6.961 11.698 1.00 0.00 H new ATOM 0 HA VAL A 57 16.160 -5.854 12.728 1.00 0.00 H new ATOM 0 HB VAL A 57 14.424 -4.805 14.459 1.00 0.00 H new ATOM 0 HG11 VAL A 57 14.407 -2.742 13.120 1.00 0.00 H new ATOM 0 HG12 VAL A 57 16.002 -3.531 13.099 1.00 0.00 H new ATOM 0 HG13 VAL A 57 14.923 -3.670 11.691 1.00 0.00 H new ATOM 0 HG21 VAL A 57 12.350 -4.093 13.340 1.00 0.00 H new ATOM 0 HG22 VAL A 57 12.783 -5.077 11.921 1.00 0.00 H new ATOM 0 HG23 VAL A 57 12.449 -5.865 13.482 1.00 0.00 H new ATOM 905 N ALA A 58 13.920 -7.872 14.084 1.00 0.00 N ATOM 906 CA ALA A 58 13.731 -8.916 15.084 1.00 0.00 C ATOM 907 C ALA A 58 13.299 -10.226 14.435 1.00 0.00 C ATOM 908 O ALA A 58 12.779 -10.235 13.320 1.00 0.00 O ATOM 909 CB ALA A 58 12.706 -8.475 16.119 1.00 0.00 C ATOM 0 H ALA A 58 13.119 -7.726 13.470 1.00 0.00 H new ATOM 0 HA ALA A 58 14.686 -9.085 15.582 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.574 -9.264 16.860 1.00 0.00 H new ATOM 0 HB2 ALA A 58 13.055 -7.568 16.613 1.00 0.00 H new ATOM 0 HB3 ALA A 58 11.754 -8.277 15.627 1.00 0.00 H new ATOM 915 N GLN A 59 13.520 -11.331 15.140 1.00 0.00 N ATOM 916 CA GLN A 59 13.154 -12.648 14.631 1.00 0.00 C ATOM 917 C GLN A 59 12.419 -13.458 15.693 1.00 0.00 C ATOM 918 O GLN A 59 12.518 -13.171 16.885 1.00 0.00 O ATOM 919 CB GLN A 59 14.401 -13.403 14.168 1.00 0.00 C ATOM 920 CG GLN A 59 15.334 -12.568 13.306 1.00 0.00 C ATOM 921 CD GLN A 59 16.460 -13.385 12.704 1.00 0.00 C ATOM 922 OE1 GLN A 59 16.232 -14.251 11.859 1.00 0.00 O ATOM 923 NE2 GLN A 59 17.686 -13.113 13.137 1.00 0.00 N ATOM 0 H GLN A 59 13.950 -11.341 16.065 1.00 0.00 H new ATOM 0 HA GLN A 59 12.486 -12.508 13.781 1.00 0.00 H new ATOM 0 HB2 GLN A 59 14.947 -13.756 15.043 1.00 0.00 H new ATOM 0 HB3 GLN A 59 14.094 -14.285 13.606 1.00 0.00 H new ATOM 0 HG2 GLN A 59 14.761 -12.100 12.505 1.00 0.00 H new ATOM 0 HG3 GLN A 59 15.756 -11.763 13.908 1.00 0.00 H new ATOM 0 HE21 GLN A 59 17.830 -12.387 13.839 1.00 0.00 H new ATOM 0 HE22 GLN A 59 18.484 -13.630 12.768 1.00 0.00 H new ATOM 932 N GLY A 60 11.681 -14.472 15.252 1.00 0.00 N ATOM 933 CA GLY A 60 10.940 -15.308 16.178 1.00 0.00 C ATOM 934 C GLY A 60 9.778 -16.020 15.514 1.00 0.00 C ATOM 935 O GLY A 60 9.186 -15.505 14.565 1.00 0.00 O ATOM 0 H GLY A 60 11.583 -14.729 14.270 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.613 -16.046 16.614 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.566 -14.694 16.997 1.00 0.00 H new ATOM 939 N TYR A 61 9.452 -17.208 16.012 1.00 0.00 N ATOM 940 CA TYR A 61 8.356 -17.994 15.458 1.00 0.00 C ATOM 941 C TYR A 61 7.080 -17.798 16.270 1.00 0.00 C ATOM 942 O TYR A 61 7.124 -17.657 17.493 1.00 0.00 O ATOM 943 CB TYR A 61 8.731 -19.477 15.424 1.00 0.00 C ATOM 944 CG TYR A 61 8.778 -20.120 16.791 1.00 0.00 C ATOM 945 CD1 TYR A 61 7.629 -20.635 17.379 1.00 0.00 C ATOM 946 CD2 TYR A 61 9.972 -20.213 17.496 1.00 0.00 C ATOM 947 CE1 TYR A 61 7.667 -21.223 18.628 1.00 0.00 C ATOM 948 CE2 TYR A 61 10.020 -20.801 18.745 1.00 0.00 C ATOM 949 CZ TYR A 61 8.865 -21.304 19.307 1.00 0.00 C ATOM 950 OH TYR A 61 8.908 -21.890 20.552 1.00 0.00 O ATOM 0 H TYR A 61 9.931 -17.647 16.798 1.00 0.00 H new ATOM 0 HA TYR A 61 8.173 -17.649 14.440 1.00 0.00 H new ATOM 0 HB2 TYR A 61 8.011 -20.011 14.805 1.00 0.00 H new ATOM 0 HB3 TYR A 61 9.705 -19.586 14.946 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.690 -20.574 16.850 1.00 0.00 H new ATOM 0 HD2 TYR A 61 10.878 -19.819 17.060 1.00 0.00 H new ATOM 0 HE1 TYR A 61 6.764 -21.617 19.071 1.00 0.00 H new ATOM 0 HE2 TYR A 61 10.957 -20.867 19.279 1.00 0.00 H new ATOM 0 HH TYR A 61 9.809 -21.796 20.927 1.00 0.00 H new ATOM 960 N VAL A 62 5.943 -17.792 15.582 1.00 0.00 N ATOM 961 CA VAL A 62 4.653 -17.616 16.238 1.00 0.00 C ATOM 962 C VAL A 62 3.539 -18.296 15.452 1.00 0.00 C ATOM 963 O VAL A 62 3.645 -18.523 14.246 1.00 0.00 O ATOM 964 CB VAL A 62 4.309 -16.124 16.409 1.00 0.00 C ATOM 965 CG1 VAL A 62 5.068 -15.533 17.587 1.00 0.00 C ATOM 966 CG2 VAL A 62 4.613 -15.358 15.130 1.00 0.00 C ATOM 0 H VAL A 62 5.889 -17.907 14.570 1.00 0.00 H new ATOM 0 HA VAL A 62 4.733 -18.078 17.222 1.00 0.00 H new ATOM 0 HB VAL A 62 3.242 -16.036 16.614 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.812 -14.479 17.692 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.796 -16.065 18.499 1.00 0.00 H new ATOM 0 HG13 VAL A 62 6.140 -15.631 17.415 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.364 -14.306 15.268 1.00 0.00 H new ATOM 0 HG22 VAL A 62 5.673 -15.452 14.893 1.00 0.00 H new ATOM 0 HG23 VAL A 62 4.020 -15.767 14.312 1.00 0.00 H new ATOM 976 N PRO A 63 2.442 -18.630 16.147 1.00 0.00 N ATOM 977 CA PRO A 63 1.285 -19.289 15.534 1.00 0.00 C ATOM 978 C PRO A 63 0.524 -18.363 14.591 1.00 0.00 C ATOM 979 O PRO A 63 0.518 -17.145 14.770 1.00 0.00 O ATOM 980 CB PRO A 63 0.412 -19.664 16.734 1.00 0.00 C ATOM 981 CG PRO A 63 0.787 -18.687 17.795 1.00 0.00 C ATOM 982 CD PRO A 63 2.246 -18.390 17.587 1.00 0.00 C ATOM 0 HA PRO A 63 1.579 -20.141 14.921 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.648 -19.595 16.489 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.599 -20.689 17.055 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.189 -17.779 17.718 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.611 -19.102 18.787 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.490 -17.363 17.860 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.878 -19.039 18.192 1.00 0.00 H new ATOM 990 N HIS A 64 -0.119 -18.949 13.585 1.00 0.00 N ATOM 991 CA HIS A 64 -0.884 -18.176 12.613 1.00 0.00 C ATOM 992 C HIS A 64 -2.310 -17.946 13.104 1.00 0.00 C ATOM 993 O HIS A 64 -3.049 -17.140 12.540 1.00 0.00 O ATOM 994 CB HIS A 64 -0.906 -18.892 11.263 1.00 0.00 C ATOM 995 CG HIS A 64 -1.639 -18.138 10.196 1.00 0.00 C ATOM 996 ND1 HIS A 64 -2.844 -18.557 9.671 1.00 0.00 N ATOM 997 CD2 HIS A 64 -1.332 -16.985 9.558 1.00 0.00 C ATOM 998 CE1 HIS A 64 -3.245 -17.695 8.754 1.00 0.00 C ATOM 999 NE2 HIS A 64 -2.346 -16.731 8.667 1.00 0.00 N ATOM 0 H HIS A 64 -0.125 -19.956 13.422 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.399 -17.207 12.493 1.00 0.00 H new ATOM 0 HB2 HIS A 64 0.119 -19.064 10.936 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -1.369 -19.871 11.388 1.00 0.00 H new ATOM 0 HD1 HIS A 64 -3.347 -19.400 9.948 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -0.454 -16.378 9.719 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -4.153 -17.766 8.174 1.00 0.00 H new ATOM 1007 N ASN A 65 -2.690 -18.661 14.158 1.00 0.00 N ATOM 1008 CA ASN A 65 -4.029 -18.536 14.724 1.00 0.00 C ATOM 1009 C ASN A 65 -4.139 -17.284 15.589 1.00 0.00 C ATOM 1010 O ASN A 65 -5.211 -16.966 16.106 1.00 0.00 O ATOM 1011 CB ASN A 65 -4.372 -19.774 15.555 1.00 0.00 C ATOM 1012 CG ASN A 65 -3.279 -20.127 16.546 1.00 0.00 C ATOM 1013 OD1 ASN A 65 -2.907 -19.313 17.391 1.00 0.00 O ATOM 1014 ND2 ASN A 65 -2.759 -21.344 16.445 1.00 0.00 N ATOM 0 H ASN A 65 -2.090 -19.333 14.637 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.738 -18.451 13.900 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -5.304 -19.600 16.093 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -4.541 -20.620 14.889 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -2.020 -21.637 17.084 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -3.099 -21.986 15.729 1.00 0.00 H new ATOM 1021 N TYR A 66 -3.025 -16.576 15.740 1.00 0.00 N ATOM 1022 CA TYR A 66 -2.996 -15.360 16.543 1.00 0.00 C ATOM 1023 C TYR A 66 -3.062 -14.120 15.657 1.00 0.00 C ATOM 1024 O TYR A 66 -3.742 -13.145 15.981 1.00 0.00 O ATOM 1025 CB TYR A 66 -1.730 -15.320 17.401 1.00 0.00 C ATOM 1026 CG TYR A 66 -1.907 -14.583 18.709 1.00 0.00 C ATOM 1027 CD1 TYR A 66 -2.942 -14.908 19.577 1.00 0.00 C ATOM 1028 CD2 TYR A 66 -1.039 -13.563 19.078 1.00 0.00 C ATOM 1029 CE1 TYR A 66 -3.109 -14.237 20.773 1.00 0.00 C ATOM 1030 CE2 TYR A 66 -1.197 -12.887 20.272 1.00 0.00 C ATOM 1031 CZ TYR A 66 -2.233 -13.227 21.116 1.00 0.00 C ATOM 1032 OH TYR A 66 -2.395 -12.557 22.307 1.00 0.00 O ATOM 0 H TYR A 66 -2.131 -16.824 15.317 1.00 0.00 H new ATOM 0 HA TYR A 66 -3.869 -15.365 17.195 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.410 -16.341 17.610 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.931 -14.846 16.832 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -3.628 -15.699 19.312 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -0.226 -13.294 18.420 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -3.920 -14.501 21.436 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -0.513 -12.096 20.543 1.00 0.00 H new ATOM 0 HH TYR A 66 -1.695 -11.877 22.398 1.00 0.00 H new ATOM 1042 N LEU A 67 -2.351 -14.164 14.535 1.00 0.00 N ATOM 1043 CA LEU A 67 -2.329 -13.046 13.599 1.00 0.00 C ATOM 1044 C LEU A 67 -2.990 -13.427 12.279 1.00 0.00 C ATOM 1045 O LEU A 67 -3.143 -14.608 11.968 1.00 0.00 O ATOM 1046 CB LEU A 67 -0.889 -12.593 13.349 1.00 0.00 C ATOM 1047 CG LEU A 67 0.090 -13.682 12.909 1.00 0.00 C ATOM 1048 CD1 LEU A 67 0.177 -13.740 11.391 1.00 0.00 C ATOM 1049 CD2 LEU A 67 1.465 -13.440 13.514 1.00 0.00 C ATOM 0 H LEU A 67 -1.782 -14.962 14.252 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.891 -12.223 14.041 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -0.901 -11.814 12.587 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.508 -12.138 14.263 1.00 0.00 H new ATOM 0 HG LEU A 67 -0.279 -14.642 13.269 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.878 -14.521 11.096 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.807 -13.962 10.978 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.522 -12.779 11.009 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.148 -14.225 13.190 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.842 -12.472 13.185 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.391 -13.450 14.601 1.00 0.00 H new ATOM 1061 N ALA A 68 -3.379 -12.419 11.505 1.00 0.00 N ATOM 1062 CA ALA A 68 -4.020 -12.649 10.216 1.00 0.00 C ATOM 1063 C ALA A 68 -3.337 -11.848 9.113 1.00 0.00 C ATOM 1064 O ALA A 68 -2.844 -10.746 9.348 1.00 0.00 O ATOM 1065 CB ALA A 68 -5.497 -12.294 10.291 1.00 0.00 C ATOM 0 H ALA A 68 -3.261 -11.435 11.748 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.924 -13.707 9.973 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.963 -12.470 9.322 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.982 -12.913 11.045 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -5.605 -11.243 10.560 1.00 0.00 H new ATOM 1071 N GLU A 69 -3.311 -12.411 7.908 1.00 0.00 N ATOM 1072 CA GLU A 69 -2.686 -11.748 6.770 1.00 0.00 C ATOM 1073 C GLU A 69 -3.506 -10.540 6.326 1.00 0.00 C ATOM 1074 O GLU A 69 -4.708 -10.649 6.080 1.00 0.00 O ATOM 1075 CB GLU A 69 -2.529 -12.728 5.605 1.00 0.00 C ATOM 1076 CG GLU A 69 -3.838 -13.356 5.156 1.00 0.00 C ATOM 1077 CD GLU A 69 -4.516 -12.566 4.054 1.00 0.00 C ATOM 1078 OE1 GLU A 69 -4.024 -11.467 3.721 1.00 0.00 O ATOM 1079 OE2 GLU A 69 -5.540 -13.046 3.524 1.00 0.00 O ATOM 0 H GLU A 69 -3.715 -13.323 7.696 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.700 -11.401 7.080 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.078 -12.206 4.761 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -1.838 -13.519 5.897 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -3.649 -14.371 4.807 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.511 -13.433 6.010 1.00 0.00 H new ATOM 1086 N ARG A 70 -2.848 -9.390 6.225 1.00 0.00 N ATOM 1087 CA ARG A 70 -3.515 -8.161 5.813 1.00 0.00 C ATOM 1088 C ARG A 70 -3.148 -7.799 4.377 1.00 0.00 C ATOM 1089 O ARG A 70 -2.458 -6.809 4.135 1.00 0.00 O ATOM 1090 CB ARG A 70 -3.141 -7.013 6.752 1.00 0.00 C ATOM 1091 CG ARG A 70 -4.068 -6.879 7.950 1.00 0.00 C ATOM 1092 CD ARG A 70 -4.165 -5.436 8.420 1.00 0.00 C ATOM 1093 NE ARG A 70 -2.851 -4.811 8.542 1.00 0.00 N ATOM 1094 CZ ARG A 70 -2.672 -3.534 8.863 1.00 0.00 C ATOM 1095 NH1 ARG A 70 -3.718 -2.752 9.094 1.00 0.00 N ATOM 1096 NH2 ARG A 70 -1.445 -3.038 8.955 1.00 0.00 N ATOM 0 H ARG A 70 -1.853 -9.284 6.423 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.591 -8.326 5.864 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.121 -7.163 7.107 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.149 -6.079 6.191 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -5.060 -7.244 7.686 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -3.704 -7.505 8.765 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.774 -4.866 7.718 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.674 -5.402 9.383 1.00 0.00 H new ATOM 0 HE ARG A 70 -2.026 -5.386 8.372 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.663 -3.130 9.025 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -3.578 -1.772 9.340 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -0.638 -3.637 8.779 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -1.308 -2.058 9.201 1.00 0.00 H new