USER MOD reduce.3.24.130724 H: found=0, std=0, add=455, rem=0, adj=8 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+ 178:sc= -0.731 (180deg=-0.759) USER MOD Single : A 21 SER OG : rot 90:sc= -0.816 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 SER OG : rot 46:sc= 0.4 USER MOD Single : A 36 HIS : no HD1:sc= -0.259 X(o=-0.26,f=-0.51) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc=-0.00278 K(o=-0.0028,f=-1) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc=-0.00711 X(o=-0.0071,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= -0.954 USER MOD Single : A 64 HIS : no HD1:sc= 0.023 K(o=0.023,f=-0.71) USER MOD Single : A 65 ASN : amide:sc= -0.134 X(o=-0.13,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 165 N LYS A 12 1.399 -9.173 3.646 1.00 0.00 N ATOM 166 CA LYS A 12 2.108 -9.104 4.919 1.00 0.00 C ATOM 167 C LYS A 12 1.252 -9.663 6.050 1.00 0.00 C ATOM 168 O LYS A 12 0.047 -9.862 5.890 1.00 0.00 O ATOM 169 CB LYS A 12 2.501 -7.658 5.229 1.00 0.00 C ATOM 170 CG LYS A 12 3.914 -7.305 4.798 1.00 0.00 C ATOM 171 CD LYS A 12 4.004 -7.104 3.295 1.00 0.00 C ATOM 172 CE LYS A 12 5.359 -7.536 2.755 1.00 0.00 C ATOM 173 NZ LYS A 12 5.357 -8.962 2.328 1.00 0.00 N ATOM 0 HA LYS A 12 3.010 -9.710 4.837 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.801 -6.986 4.733 1.00 0.00 H new ATOM 0 HB3 LYS A 12 2.404 -7.486 6.301 1.00 0.00 H new ATOM 0 HG2 LYS A 12 4.235 -6.396 5.307 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.597 -8.098 5.102 1.00 0.00 H new ATOM 0 HD2 LYS A 12 3.216 -7.674 2.803 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.834 -6.054 3.056 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.631 -6.904 1.910 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.120 -7.388 3.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.298 -9.217 1.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.122 -9.567 3.140 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.649 -9.099 1.578 1.00 0.00 H new ATOM 187 N TYR A 13 1.880 -9.913 7.193 1.00 0.00 N ATOM 188 CA TYR A 13 1.175 -10.451 8.351 1.00 0.00 C ATOM 189 C TYR A 13 1.192 -9.457 9.508 1.00 0.00 C ATOM 190 O TYR A 13 2.225 -8.865 9.819 1.00 0.00 O ATOM 191 CB TYR A 13 1.807 -11.773 8.790 1.00 0.00 C ATOM 192 CG TYR A 13 1.313 -12.969 8.009 1.00 0.00 C ATOM 193 CD1 TYR A 13 1.717 -13.181 6.696 1.00 0.00 C ATOM 194 CD2 TYR A 13 0.441 -13.887 8.582 1.00 0.00 C ATOM 195 CE1 TYR A 13 1.268 -14.272 5.978 1.00 0.00 C ATOM 196 CE2 TYR A 13 -0.012 -14.981 7.871 1.00 0.00 C ATOM 197 CZ TYR A 13 0.404 -15.170 6.570 1.00 0.00 C ATOM 198 OH TYR A 13 -0.046 -16.258 5.858 1.00 0.00 O ATOM 0 H TYR A 13 2.876 -9.752 7.343 1.00 0.00 H new ATOM 0 HA TYR A 13 0.139 -10.629 8.064 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.889 -11.702 8.683 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.601 -11.931 9.849 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.394 -12.481 6.229 1.00 0.00 H new ATOM 0 HD2 TYR A 13 0.112 -13.742 9.600 1.00 0.00 H new ATOM 0 HE1 TYR A 13 1.592 -14.421 4.958 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.689 -15.685 8.332 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.646 -16.791 6.420 1.00 0.00 H new ATOM 208 N VAL A 14 0.038 -9.279 10.144 1.00 0.00 N ATOM 209 CA VAL A 14 -0.082 -8.359 11.268 1.00 0.00 C ATOM 210 C VAL A 14 -0.947 -8.953 12.375 1.00 0.00 C ATOM 211 O VAL A 14 -1.917 -9.660 12.107 1.00 0.00 O ATOM 212 CB VAL A 14 -0.684 -7.011 10.829 1.00 0.00 C ATOM 213 CG1 VAL A 14 -2.177 -7.151 10.574 1.00 0.00 C ATOM 214 CG2 VAL A 14 -0.412 -5.940 11.874 1.00 0.00 C ATOM 0 H VAL A 14 -0.827 -9.760 9.899 1.00 0.00 H new ATOM 0 HA VAL A 14 0.926 -8.192 11.648 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.207 -6.706 9.897 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.585 -6.189 10.265 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.344 -7.886 9.787 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.673 -7.479 11.488 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.845 -4.994 11.547 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.860 -6.235 12.823 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.664 -5.822 12.002 1.00 0.00 H new ATOM 224 N GLY A 15 -0.587 -8.660 13.621 1.00 0.00 N ATOM 225 CA GLY A 15 -1.341 -9.173 14.750 1.00 0.00 C ATOM 226 C GLY A 15 -0.631 -8.948 16.071 1.00 0.00 C ATOM 227 O GLY A 15 0.139 -7.998 16.216 1.00 0.00 O ATOM 0 H GLY A 15 0.213 -8.077 13.869 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.318 -8.691 14.779 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -1.516 -10.240 14.612 1.00 0.00 H new ATOM 231 N LEU A 16 -0.892 -9.821 17.037 1.00 0.00 N ATOM 232 CA LEU A 16 -0.274 -9.713 18.354 1.00 0.00 C ATOM 233 C LEU A 16 -0.620 -8.379 19.010 1.00 0.00 C ATOM 234 O LEU A 16 0.153 -7.424 18.941 1.00 0.00 O ATOM 235 CB LEU A 16 1.244 -9.859 18.241 1.00 0.00 C ATOM 236 CG LEU A 16 1.814 -11.234 18.591 1.00 0.00 C ATOM 237 CD1 LEU A 16 0.932 -12.337 18.027 1.00 0.00 C ATOM 238 CD2 LEU A 16 3.238 -11.369 18.072 1.00 0.00 C ATOM 0 H LEU A 16 -1.528 -10.612 16.933 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.665 -10.517 18.978 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.537 -9.616 17.220 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.710 -9.119 18.891 1.00 0.00 H new ATOM 0 HG LEU A 16 1.834 -11.332 19.676 1.00 0.00 H new ATOM 0 HD11 LEU A 16 1.354 -13.308 18.286 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -0.070 -12.252 18.448 1.00 0.00 H new ATOM 0 HD13 LEU A 16 0.879 -12.242 16.942 1.00 0.00 H new ATOM 0 HD21 LEU A 16 3.628 -12.354 18.330 1.00 0.00 H new ATOM 0 HD22 LEU A 16 3.243 -11.249 16.989 1.00 0.00 H new ATOM 0 HD23 LEU A 16 3.865 -10.601 18.525 1.00 0.00 H new ATOM 250 N TRP A 17 -1.785 -8.324 19.645 1.00 0.00 N ATOM 251 CA TRP A 17 -2.232 -7.108 20.316 1.00 0.00 C ATOM 252 C TRP A 17 -1.285 -6.732 21.450 1.00 0.00 C ATOM 253 O TRP A 17 -1.277 -7.371 22.502 1.00 0.00 O ATOM 254 CB TRP A 17 -3.650 -7.292 20.858 1.00 0.00 C ATOM 255 CG TRP A 17 -4.432 -6.015 20.924 1.00 0.00 C ATOM 256 CD1 TRP A 17 -4.500 -5.046 19.964 1.00 0.00 C ATOM 257 CD2 TRP A 17 -5.254 -5.569 22.008 1.00 0.00 C ATOM 258 NE1 TRP A 17 -5.316 -4.024 20.386 1.00 0.00 N ATOM 259 CE2 TRP A 17 -5.791 -4.321 21.636 1.00 0.00 C ATOM 260 CE3 TRP A 17 -5.591 -6.102 23.254 1.00 0.00 C ATOM 261 CZ2 TRP A 17 -6.644 -3.600 22.468 1.00 0.00 C ATOM 262 CZ3 TRP A 17 -6.438 -5.386 24.079 1.00 0.00 C ATOM 263 CH2 TRP A 17 -6.957 -4.146 23.683 1.00 0.00 C ATOM 0 H TRP A 17 -2.437 -9.106 19.710 1.00 0.00 H new ATOM 0 HA TRP A 17 -2.232 -6.299 19.586 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -4.183 -8.003 20.227 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -3.596 -7.728 21.855 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -3.988 -5.078 19.014 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -5.533 -3.181 19.855 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -5.197 -7.057 23.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -7.044 -2.644 22.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -6.704 -5.789 25.045 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -7.617 -3.611 24.350 1.00 0.00 H new ATOM 274 N ASP A 18 -0.489 -5.691 21.230 1.00 0.00 N ATOM 275 CA ASP A 18 0.461 -5.229 22.235 1.00 0.00 C ATOM 276 C ASP A 18 1.141 -6.409 22.922 1.00 0.00 C ATOM 277 O ASP A 18 1.216 -6.467 24.150 1.00 0.00 O ATOM 278 CB ASP A 18 -0.246 -4.357 23.273 1.00 0.00 C ATOM 279 CG ASP A 18 -1.290 -5.124 24.060 1.00 0.00 C ATOM 280 OD1 ASP A 18 -2.418 -5.283 23.551 1.00 0.00 O ATOM 281 OD2 ASP A 18 -0.978 -5.566 25.187 1.00 0.00 O ATOM 0 H ASP A 18 -0.483 -5.151 20.365 1.00 0.00 H new ATOM 0 HA ASP A 18 1.224 -4.635 21.732 1.00 0.00 H new ATOM 0 HB2 ASP A 18 0.493 -3.945 23.961 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -0.721 -3.513 22.772 1.00 0.00 H new ATOM 286 N PHE A 19 1.636 -7.348 22.123 1.00 0.00 N ATOM 287 CA PHE A 19 2.309 -8.528 22.654 1.00 0.00 C ATOM 288 C PHE A 19 3.822 -8.405 22.505 1.00 0.00 C ATOM 289 O PHE A 19 4.340 -8.275 21.395 1.00 0.00 O ATOM 290 CB PHE A 19 1.815 -9.788 21.939 1.00 0.00 C ATOM 291 CG PHE A 19 1.917 -11.031 22.776 1.00 0.00 C ATOM 292 CD1 PHE A 19 0.886 -11.397 23.625 1.00 0.00 C ATOM 293 CD2 PHE A 19 3.046 -11.833 22.714 1.00 0.00 C ATOM 294 CE1 PHE A 19 0.976 -12.541 24.396 1.00 0.00 C ATOM 295 CE2 PHE A 19 3.142 -12.978 23.482 1.00 0.00 C ATOM 296 CZ PHE A 19 2.107 -13.331 24.325 1.00 0.00 C ATOM 0 H PHE A 19 1.584 -7.315 21.105 1.00 0.00 H new ATOM 0 HA PHE A 19 2.072 -8.604 23.715 1.00 0.00 H new ATOM 0 HB2 PHE A 19 0.776 -9.644 21.642 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.392 -9.927 21.025 1.00 0.00 H new ATOM 0 HD1 PHE A 19 0.001 -10.781 23.686 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.860 -11.560 22.058 1.00 0.00 H new ATOM 0 HE1 PHE A 19 0.164 -12.816 25.052 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.026 -13.596 23.423 1.00 0.00 H new ATOM 0 HZ PHE A 19 2.182 -14.224 24.928 1.00 0.00 H new ATOM 306 N LYS A 20 4.527 -8.445 23.631 1.00 0.00 N ATOM 307 CA LYS A 20 5.981 -8.339 23.628 1.00 0.00 C ATOM 308 C LYS A 20 6.610 -9.455 24.456 1.00 0.00 C ATOM 309 O LYS A 20 6.445 -9.504 25.675 1.00 0.00 O ATOM 310 CB LYS A 20 6.414 -6.977 24.175 1.00 0.00 C ATOM 311 CG LYS A 20 5.681 -5.806 23.543 1.00 0.00 C ATOM 312 CD LYS A 20 6.081 -5.618 22.089 1.00 0.00 C ATOM 313 CE LYS A 20 6.050 -4.151 21.688 1.00 0.00 C ATOM 314 NZ LYS A 20 4.735 -3.520 21.992 1.00 0.00 N ATOM 0 H LYS A 20 4.114 -8.550 24.558 1.00 0.00 H new ATOM 0 HA LYS A 20 6.326 -8.437 22.599 1.00 0.00 H new ATOM 0 HB2 LYS A 20 6.250 -6.959 25.252 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.485 -6.854 24.014 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.606 -5.971 23.607 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.898 -4.895 24.102 1.00 0.00 H new ATOM 0 HD2 LYS A 20 7.082 -6.018 21.931 1.00 0.00 H new ATOM 0 HD3 LYS A 20 5.406 -6.186 21.448 1.00 0.00 H new ATOM 0 HE2 LYS A 20 6.840 -3.614 22.213 1.00 0.00 H new ATOM 0 HE3 LYS A 20 6.258 -4.062 20.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 4.766 -2.513 21.735 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 3.988 -3.994 21.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 4.532 -3.612 23.008 1.00 0.00 H new ATOM 328 N SER A 21 7.332 -10.348 23.787 1.00 0.00 N ATOM 329 CA SER A 21 7.983 -11.464 24.462 1.00 0.00 C ATOM 330 C SER A 21 9.439 -11.134 24.775 1.00 0.00 C ATOM 331 O SER A 21 9.901 -10.019 24.533 1.00 0.00 O ATOM 332 CB SER A 21 7.909 -12.724 23.597 1.00 0.00 C ATOM 333 OG SER A 21 6.606 -13.281 23.619 1.00 0.00 O ATOM 0 H SER A 21 7.481 -10.320 22.778 1.00 0.00 H new ATOM 0 HA SER A 21 7.459 -11.645 25.401 1.00 0.00 H new ATOM 0 HB2 SER A 21 8.187 -12.482 22.571 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.629 -13.459 23.957 1.00 0.00 H new ATOM 0 HG SER A 21 6.072 -12.893 22.894 1.00 0.00 H new ATOM 339 N ARG A 22 10.158 -12.113 25.316 1.00 0.00 N ATOM 340 CA ARG A 22 11.562 -11.928 25.664 1.00 0.00 C ATOM 341 C ARG A 22 12.387 -13.147 25.263 1.00 0.00 C ATOM 342 O ARG A 22 13.424 -13.433 25.862 1.00 0.00 O ATOM 343 CB ARG A 22 11.707 -11.671 27.165 1.00 0.00 C ATOM 344 CG ARG A 22 11.418 -12.893 28.022 1.00 0.00 C ATOM 345 CD ARG A 22 10.377 -12.592 29.088 1.00 0.00 C ATOM 346 NE ARG A 22 10.653 -13.296 30.338 1.00 0.00 N ATOM 347 CZ ARG A 22 9.773 -13.412 31.326 1.00 0.00 C ATOM 348 NH1 ARG A 22 8.567 -12.874 31.211 1.00 0.00 N ATOM 349 NH2 ARG A 22 10.099 -14.068 32.433 1.00 0.00 N ATOM 0 H ARG A 22 9.791 -13.042 25.523 1.00 0.00 H new ATOM 0 HA ARG A 22 11.936 -11.063 25.116 1.00 0.00 H new ATOM 0 HB2 ARG A 22 12.720 -11.325 27.370 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.031 -10.866 27.454 1.00 0.00 H new ATOM 0 HG2 ARG A 22 11.067 -13.708 27.389 1.00 0.00 H new ATOM 0 HG3 ARG A 22 12.339 -13.232 28.497 1.00 0.00 H new ATOM 0 HD2 ARG A 22 10.350 -11.519 29.275 1.00 0.00 H new ATOM 0 HD3 ARG A 22 9.391 -12.877 28.722 1.00 0.00 H new ATOM 0 HE ARG A 22 11.572 -13.722 30.459 1.00 0.00 H new ATOM 0 HH11 ARG A 22 8.313 -12.369 30.362 1.00 0.00 H new ATOM 0 HH12 ARG A 22 7.893 -12.965 31.972 1.00 0.00 H new ATOM 0 HH21 ARG A 22 11.026 -14.483 32.525 1.00 0.00 H new ATOM 0 HH22 ARG A 22 9.423 -14.157 33.191 1.00 0.00 H new ATOM 363 N THR A 23 11.919 -13.863 24.245 1.00 0.00 N ATOM 364 CA THR A 23 12.612 -15.052 23.765 1.00 0.00 C ATOM 365 C THR A 23 12.578 -15.131 22.243 1.00 0.00 C ATOM 366 O THR A 23 11.744 -14.497 21.598 1.00 0.00 O ATOM 367 CB THR A 23 11.994 -16.336 24.349 1.00 0.00 C ATOM 368 OG1 THR A 23 10.589 -16.154 24.556 1.00 0.00 O ATOM 369 CG2 THR A 23 12.662 -16.709 25.663 1.00 0.00 C ATOM 0 H THR A 23 11.063 -13.640 23.737 1.00 0.00 H new ATOM 0 HA THR A 23 13.647 -14.972 24.099 1.00 0.00 H new ATOM 0 HB THR A 23 12.153 -17.146 23.637 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.204 -16.976 24.926 1.00 0.00 H new ATOM 0 HG21 THR A 23 12.209 -17.619 26.056 1.00 0.00 H new ATOM 0 HG22 THR A 23 13.726 -16.877 25.496 1.00 0.00 H new ATOM 0 HG23 THR A 23 12.531 -15.899 26.381 1.00 0.00 H new ATOM 377 N ASP A 24 13.490 -15.913 21.676 1.00 0.00 N ATOM 378 CA ASP A 24 13.563 -16.077 20.228 1.00 0.00 C ATOM 379 C ASP A 24 12.377 -16.887 19.713 1.00 0.00 C ATOM 380 O ASP A 24 12.028 -16.811 18.535 1.00 0.00 O ATOM 381 CB ASP A 24 14.873 -16.761 19.836 1.00 0.00 C ATOM 382 CG ASP A 24 16.092 -15.984 20.295 1.00 0.00 C ATOM 383 OD1 ASP A 24 16.481 -16.133 21.472 1.00 0.00 O ATOM 384 OD2 ASP A 24 16.655 -15.227 19.477 1.00 0.00 O ATOM 0 H ASP A 24 14.189 -16.443 22.196 1.00 0.00 H new ATOM 0 HA ASP A 24 13.529 -15.087 19.773 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.900 -17.762 20.267 1.00 0.00 H new ATOM 0 HB3 ASP A 24 14.908 -16.879 18.753 1.00 0.00 H new ATOM 389 N GLU A 25 11.765 -17.662 20.602 1.00 0.00 N ATOM 390 CA GLU A 25 10.620 -18.487 20.235 1.00 0.00 C ATOM 391 C GLU A 25 9.365 -17.634 20.069 1.00 0.00 C ATOM 392 O GLU A 25 8.322 -18.125 19.639 1.00 0.00 O ATOM 393 CB GLU A 25 10.380 -19.565 21.294 1.00 0.00 C ATOM 394 CG GLU A 25 10.286 -19.019 22.709 1.00 0.00 C ATOM 395 CD GLU A 25 9.317 -19.802 23.573 1.00 0.00 C ATOM 396 OE1 GLU A 25 9.697 -20.888 24.057 1.00 0.00 O ATOM 397 OE2 GLU A 25 8.177 -19.328 23.765 1.00 0.00 O ATOM 0 H GLU A 25 12.042 -17.736 21.581 1.00 0.00 H new ATOM 0 HA GLU A 25 10.841 -18.967 19.282 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.458 -20.096 21.057 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.189 -20.294 21.248 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.274 -19.039 23.168 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.973 -17.976 22.672 1.00 0.00 H new ATOM 404 N GLU A 26 9.477 -16.355 20.413 1.00 0.00 N ATOM 405 CA GLU A 26 8.351 -15.434 20.303 1.00 0.00 C ATOM 406 C GLU A 26 8.806 -14.080 19.766 1.00 0.00 C ATOM 407 O GLU A 26 9.980 -13.722 19.868 1.00 0.00 O ATOM 408 CB GLU A 26 7.676 -15.254 21.664 1.00 0.00 C ATOM 409 CG GLU A 26 6.856 -16.457 22.101 1.00 0.00 C ATOM 410 CD GLU A 26 5.760 -16.091 23.083 1.00 0.00 C ATOM 411 OE1 GLU A 26 6.060 -15.970 24.289 1.00 0.00 O ATOM 412 OE2 GLU A 26 4.603 -15.925 22.644 1.00 0.00 O ATOM 0 H GLU A 26 10.334 -15.933 20.770 1.00 0.00 H new ATOM 0 HA GLU A 26 7.633 -15.861 19.603 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.440 -15.053 22.415 1.00 0.00 H new ATOM 0 HB3 GLU A 26 7.028 -14.378 21.626 1.00 0.00 H new ATOM 0 HG2 GLU A 26 6.411 -16.926 21.224 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.516 -17.195 22.557 1.00 0.00 H new ATOM 419 N LEU A 27 7.869 -13.333 19.193 1.00 0.00 N ATOM 420 CA LEU A 27 8.172 -12.018 18.638 1.00 0.00 C ATOM 421 C LEU A 27 7.843 -10.916 19.640 1.00 0.00 C ATOM 422 O LEU A 27 7.014 -11.100 20.531 1.00 0.00 O ATOM 423 CB LEU A 27 7.390 -11.796 17.343 1.00 0.00 C ATOM 424 CG LEU A 27 8.015 -12.377 16.074 1.00 0.00 C ATOM 425 CD1 LEU A 27 7.081 -13.393 15.435 1.00 0.00 C ATOM 426 CD2 LEU A 27 8.351 -11.266 15.089 1.00 0.00 C ATOM 0 H LEU A 27 6.893 -13.615 19.100 1.00 0.00 H new ATOM 0 HA LEU A 27 9.239 -11.980 18.421 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.396 -12.226 17.464 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.258 -10.723 17.201 1.00 0.00 H new ATOM 0 HG LEU A 27 8.939 -12.886 16.348 1.00 0.00 H new ATOM 0 HD11 LEU A 27 7.543 -13.795 14.533 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.890 -14.204 16.138 1.00 0.00 H new ATOM 0 HD13 LEU A 27 6.140 -12.909 15.175 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.795 -11.697 14.192 1.00 0.00 H new ATOM 0 HD22 LEU A 27 7.441 -10.729 14.822 1.00 0.00 H new ATOM 0 HD23 LEU A 27 9.058 -10.575 15.547 1.00 0.00 H new ATOM 438 N SER A 28 8.496 -9.768 19.485 1.00 0.00 N ATOM 439 CA SER A 28 8.274 -8.636 20.377 1.00 0.00 C ATOM 440 C SER A 28 7.927 -7.380 19.584 1.00 0.00 C ATOM 441 O SER A 28 8.811 -6.643 19.148 1.00 0.00 O ATOM 442 CB SER A 28 9.515 -8.384 21.235 1.00 0.00 C ATOM 443 OG SER A 28 10.678 -8.283 20.432 1.00 0.00 O ATOM 0 H SER A 28 9.183 -9.598 18.750 1.00 0.00 H new ATOM 0 HA SER A 28 7.434 -8.878 21.028 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.384 -7.466 21.808 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.635 -9.195 21.954 1.00 0.00 H new ATOM 0 HG SER A 28 10.497 -7.698 19.667 1.00 0.00 H new ATOM 449 N PHE A 29 6.632 -7.142 19.400 1.00 0.00 N ATOM 450 CA PHE A 29 6.166 -5.976 18.659 1.00 0.00 C ATOM 451 C PHE A 29 4.712 -5.662 18.997 1.00 0.00 C ATOM 452 O PHE A 29 3.994 -6.502 19.540 1.00 0.00 O ATOM 453 CB PHE A 29 6.312 -6.211 17.154 1.00 0.00 C ATOM 454 CG PHE A 29 5.440 -7.317 16.632 1.00 0.00 C ATOM 455 CD1 PHE A 29 4.134 -7.063 16.246 1.00 0.00 C ATOM 456 CD2 PHE A 29 5.927 -8.610 16.527 1.00 0.00 C ATOM 457 CE1 PHE A 29 3.329 -8.079 15.766 1.00 0.00 C ATOM 458 CE2 PHE A 29 5.127 -9.630 16.048 1.00 0.00 C ATOM 459 CZ PHE A 29 3.827 -9.364 15.666 1.00 0.00 C ATOM 0 H PHE A 29 5.887 -7.742 19.754 1.00 0.00 H new ATOM 0 HA PHE A 29 6.780 -5.123 18.948 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.071 -5.289 16.625 1.00 0.00 H new ATOM 0 HB3 PHE A 29 7.353 -6.444 16.930 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.740 -6.060 16.321 1.00 0.00 H new ATOM 0 HD2 PHE A 29 6.944 -8.823 16.823 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.312 -7.869 15.469 1.00 0.00 H new ATOM 0 HE2 PHE A 29 5.518 -10.634 15.973 1.00 0.00 H new ATOM 0 HZ PHE A 29 3.200 -10.159 15.290 1.00 0.00 H new ATOM 469 N ARG A 30 4.285 -4.446 18.672 1.00 0.00 N ATOM 470 CA ARG A 30 2.917 -4.019 18.943 1.00 0.00 C ATOM 471 C ARG A 30 2.024 -4.255 17.729 1.00 0.00 C ATOM 472 O ARG A 30 2.479 -4.185 16.588 1.00 0.00 O ATOM 473 CB ARG A 30 2.890 -2.539 19.331 1.00 0.00 C ATOM 474 CG ARG A 30 3.093 -1.598 18.155 1.00 0.00 C ATOM 475 CD ARG A 30 3.040 -0.142 18.591 1.00 0.00 C ATOM 476 NE ARG A 30 4.007 0.148 19.646 1.00 0.00 N ATOM 477 CZ ARG A 30 3.926 1.205 20.446 1.00 0.00 C ATOM 478 NH1 ARG A 30 2.928 2.068 20.312 1.00 0.00 N ATOM 479 NH2 ARG A 30 4.845 1.402 21.383 1.00 0.00 N ATOM 0 H ARG A 30 4.866 -3.739 18.221 1.00 0.00 H new ATOM 0 HA ARG A 30 2.535 -4.612 19.774 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.935 -2.314 19.805 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.666 -2.352 20.073 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.055 -1.803 17.685 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.325 -1.782 17.404 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.236 0.501 17.733 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.036 0.095 18.944 1.00 0.00 H new ATOM 0 HE ARG A 30 4.787 -0.496 19.776 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.220 1.921 19.593 1.00 0.00 H new ATOM 0 HH12 ARG A 30 2.869 2.879 20.928 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.615 0.741 21.489 1.00 0.00 H new ATOM 0 HH22 ARG A 30 4.782 2.214 21.997 1.00 0.00 H new ATOM 493 N ALA A 31 0.750 -4.535 17.984 1.00 0.00 N ATOM 494 CA ALA A 31 -0.208 -4.779 16.912 1.00 0.00 C ATOM 495 C ALA A 31 -0.151 -3.674 15.863 1.00 0.00 C ATOM 496 O ALA A 31 0.081 -2.510 16.185 1.00 0.00 O ATOM 497 CB ALA A 31 -1.615 -4.900 17.479 1.00 0.00 C ATOM 0 H ALA A 31 0.357 -4.599 18.923 1.00 0.00 H new ATOM 0 HA ALA A 31 0.058 -5.718 16.427 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -2.320 -5.082 16.668 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.653 -5.729 18.185 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.882 -3.975 17.991 1.00 0.00 H new ATOM 503 N GLY A 32 -0.363 -4.048 14.604 1.00 0.00 N ATOM 504 CA GLY A 32 -0.331 -3.077 13.527 1.00 0.00 C ATOM 505 C GLY A 32 0.944 -3.158 12.711 1.00 0.00 C ATOM 506 O GLY A 32 1.012 -2.634 11.599 1.00 0.00 O ATOM 0 H GLY A 32 -0.556 -5.006 14.312 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.188 -3.236 12.873 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.429 -2.074 13.943 1.00 0.00 H new ATOM 510 N ASP A 33 1.957 -3.816 13.263 1.00 0.00 N ATOM 511 CA ASP A 33 3.236 -3.964 12.579 1.00 0.00 C ATOM 512 C ASP A 33 3.148 -5.023 11.484 1.00 0.00 C ATOM 513 O ASP A 33 2.518 -6.065 11.663 1.00 0.00 O ATOM 514 CB ASP A 33 4.333 -4.337 13.579 1.00 0.00 C ATOM 515 CG ASP A 33 5.688 -3.782 13.185 1.00 0.00 C ATOM 516 OD1 ASP A 33 6.112 -4.015 12.034 1.00 0.00 O ATOM 517 OD2 ASP A 33 6.325 -3.117 14.028 1.00 0.00 O ATOM 0 H ASP A 33 1.917 -4.256 14.183 1.00 0.00 H new ATOM 0 HA ASP A 33 3.485 -3.009 12.117 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.063 -3.962 14.566 1.00 0.00 H new ATOM 0 HB3 ASP A 33 4.397 -5.422 13.656 1.00 0.00 H new ATOM 522 N VAL A 34 3.783 -4.747 10.349 1.00 0.00 N ATOM 523 CA VAL A 34 3.776 -5.675 9.225 1.00 0.00 C ATOM 524 C VAL A 34 5.037 -6.532 9.212 1.00 0.00 C ATOM 525 O VAL A 34 6.136 -6.043 9.475 1.00 0.00 O ATOM 526 CB VAL A 34 3.662 -4.930 7.882 1.00 0.00 C ATOM 527 CG1 VAL A 34 2.355 -4.153 7.812 1.00 0.00 C ATOM 528 CG2 VAL A 34 4.853 -4.004 7.684 1.00 0.00 C ATOM 0 H VAL A 34 4.308 -3.888 10.184 1.00 0.00 H new ATOM 0 HA VAL A 34 2.904 -6.317 9.351 1.00 0.00 H new ATOM 0 HB VAL A 34 3.664 -5.665 7.077 1.00 0.00 H new ATOM 0 HG11 VAL A 34 2.292 -3.633 6.856 1.00 0.00 H new ATOM 0 HG12 VAL A 34 1.516 -4.843 7.906 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.320 -3.426 8.624 1.00 0.00 H new ATOM 0 HG21 VAL A 34 4.756 -3.486 6.730 1.00 0.00 H new ATOM 0 HG22 VAL A 34 4.884 -3.274 8.492 1.00 0.00 H new ATOM 0 HG23 VAL A 34 5.773 -4.589 7.687 1.00 0.00 H new ATOM 538 N PHE A 35 4.872 -7.814 8.904 1.00 0.00 N ATOM 539 CA PHE A 35 5.998 -8.740 8.857 1.00 0.00 C ATOM 540 C PHE A 35 5.751 -9.844 7.833 1.00 0.00 C ATOM 541 O PHE A 35 4.610 -10.106 7.447 1.00 0.00 O ATOM 542 CB PHE A 35 6.238 -9.354 10.237 1.00 0.00 C ATOM 543 CG PHE A 35 4.981 -9.545 11.036 1.00 0.00 C ATOM 544 CD1 PHE A 35 4.488 -8.524 11.833 1.00 0.00 C ATOM 545 CD2 PHE A 35 4.292 -10.746 10.991 1.00 0.00 C ATOM 546 CE1 PHE A 35 3.331 -8.697 12.569 1.00 0.00 C ATOM 547 CE2 PHE A 35 3.134 -10.924 11.724 1.00 0.00 C ATOM 548 CZ PHE A 35 2.654 -9.899 12.515 1.00 0.00 C ATOM 0 H PHE A 35 3.970 -8.235 8.683 1.00 0.00 H new ATOM 0 HA PHE A 35 6.884 -8.181 8.556 1.00 0.00 H new ATOM 0 HB2 PHE A 35 6.732 -10.318 10.116 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.921 -8.714 10.796 1.00 0.00 H new ATOM 0 HD1 PHE A 35 5.014 -7.582 11.880 1.00 0.00 H new ATOM 0 HD2 PHE A 35 4.664 -11.552 10.376 1.00 0.00 H new ATOM 0 HE1 PHE A 35 2.957 -7.893 13.186 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.605 -11.864 11.678 1.00 0.00 H new ATOM 0 HZ PHE A 35 1.751 -10.037 13.090 1.00 0.00 H new ATOM 558 N HIS A 36 6.827 -10.490 7.396 1.00 0.00 N ATOM 559 CA HIS A 36 6.729 -11.566 6.416 1.00 0.00 C ATOM 560 C HIS A 36 7.241 -12.880 6.999 1.00 0.00 C ATOM 561 O HIS A 36 7.969 -12.888 7.992 1.00 0.00 O ATOM 562 CB HIS A 36 7.519 -11.212 5.156 1.00 0.00 C ATOM 563 CG HIS A 36 7.235 -12.116 3.997 1.00 0.00 C ATOM 564 ND1 HIS A 36 5.958 -12.411 3.567 1.00 0.00 N ATOM 565 CD2 HIS A 36 8.072 -12.791 3.175 1.00 0.00 C ATOM 566 CE1 HIS A 36 6.022 -13.230 2.533 1.00 0.00 C ATOM 567 NE2 HIS A 36 7.294 -13.475 2.274 1.00 0.00 N ATOM 0 H HIS A 36 7.778 -10.287 7.705 1.00 0.00 H new ATOM 0 HA HIS A 36 5.678 -11.690 6.154 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.290 -10.185 4.870 1.00 0.00 H new ATOM 0 HB3 HIS A 36 8.584 -11.249 5.383 1.00 0.00 H new ATOM 0 HD2 HIS A 36 9.151 -12.791 3.220 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.178 -13.631 1.991 1.00 0.00 H new ATOM 0 HE2 HIS A 36 7.642 -14.075 1.526 1.00 0.00 H new ATOM 575 N VAL A 37 6.854 -13.989 6.377 1.00 0.00 N ATOM 576 CA VAL A 37 7.274 -15.308 6.834 1.00 0.00 C ATOM 577 C VAL A 37 8.432 -15.837 5.995 1.00 0.00 C ATOM 578 O VAL A 37 8.402 -15.774 4.767 1.00 0.00 O ATOM 579 CB VAL A 37 6.112 -16.317 6.778 1.00 0.00 C ATOM 580 CG1 VAL A 37 5.071 -15.992 7.839 1.00 0.00 C ATOM 581 CG2 VAL A 37 5.485 -16.332 5.392 1.00 0.00 C ATOM 0 H VAL A 37 6.250 -14.000 5.555 1.00 0.00 H new ATOM 0 HA VAL A 37 7.599 -15.196 7.868 1.00 0.00 H new ATOM 0 HB VAL A 37 6.508 -17.312 6.983 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.258 -16.715 7.784 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.531 -16.037 8.826 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.678 -14.990 7.668 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.666 -17.051 5.371 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.103 -15.339 5.155 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.237 -16.617 4.656 1.00 0.00 H new ATOM 591 N ALA A 38 9.453 -16.358 6.668 1.00 0.00 N ATOM 592 CA ALA A 38 10.621 -16.901 5.985 1.00 0.00 C ATOM 593 C ALA A 38 10.543 -18.421 5.890 1.00 0.00 C ATOM 594 O ALA A 38 10.913 -19.008 4.872 1.00 0.00 O ATOM 595 CB ALA A 38 11.895 -16.479 6.703 1.00 0.00 C ATOM 0 H ALA A 38 9.495 -16.415 7.686 1.00 0.00 H new ATOM 0 HA ALA A 38 10.639 -16.500 4.971 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.760 -16.891 6.183 1.00 0.00 H new ATOM 0 HB2 ALA A 38 11.963 -15.391 6.714 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.876 -16.852 7.727 1.00 0.00 H new ATOM 601 N ARG A 39 10.062 -19.053 6.955 1.00 0.00 N ATOM 602 CA ARG A 39 9.938 -20.505 6.991 1.00 0.00 C ATOM 603 C ARG A 39 8.517 -20.921 7.358 1.00 0.00 C ATOM 604 O ARG A 39 7.975 -20.490 8.377 1.00 0.00 O ATOM 605 CB ARG A 39 10.929 -21.098 7.994 1.00 0.00 C ATOM 606 CG ARG A 39 11.138 -22.595 7.833 1.00 0.00 C ATOM 607 CD ARG A 39 12.195 -23.117 8.793 1.00 0.00 C ATOM 608 NE ARG A 39 12.453 -24.541 8.600 1.00 0.00 N ATOM 609 CZ ARG A 39 13.081 -25.038 7.540 1.00 0.00 C ATOM 610 NH1 ARG A 39 13.512 -24.229 6.582 1.00 0.00 N ATOM 611 NH2 ARG A 39 13.279 -26.346 7.437 1.00 0.00 N ATOM 0 H ARG A 39 9.752 -18.582 7.805 1.00 0.00 H new ATOM 0 HA ARG A 39 10.165 -20.888 5.996 1.00 0.00 H new ATOM 0 HB2 ARG A 39 11.889 -20.592 7.886 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.574 -20.896 9.005 1.00 0.00 H new ATOM 0 HG2 ARG A 39 10.197 -23.116 8.009 1.00 0.00 H new ATOM 0 HG3 ARG A 39 11.437 -22.813 6.808 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.120 -22.558 8.652 1.00 0.00 H new ATOM 0 HD3 ARG A 39 11.871 -22.943 9.819 1.00 0.00 H new ATOM 0 HE ARG A 39 12.133 -25.190 9.319 1.00 0.00 H new ATOM 0 HH11 ARG A 39 13.362 -23.223 6.658 1.00 0.00 H new ATOM 0 HH12 ARG A 39 13.994 -24.613 5.769 1.00 0.00 H new ATOM 0 HH21 ARG A 39 12.949 -26.971 8.172 1.00 0.00 H new ATOM 0 HH22 ARG A 39 13.761 -26.726 6.623 1.00 0.00 H new ATOM 625 N LYS A 40 7.917 -21.760 6.521 1.00 0.00 N ATOM 626 CA LYS A 40 6.558 -22.236 6.756 1.00 0.00 C ATOM 627 C LYS A 40 6.565 -23.682 7.239 1.00 0.00 C ATOM 628 O LYS A 40 6.851 -24.601 6.472 1.00 0.00 O ATOM 629 CB LYS A 40 5.726 -22.117 5.478 1.00 0.00 C ATOM 630 CG LYS A 40 6.428 -22.656 4.243 1.00 0.00 C ATOM 631 CD LYS A 40 5.446 -23.305 3.282 1.00 0.00 C ATOM 632 CE LYS A 40 5.108 -24.726 3.706 1.00 0.00 C ATOM 633 NZ LYS A 40 6.100 -25.710 3.191 1.00 0.00 N ATOM 0 H LYS A 40 8.350 -22.125 5.673 1.00 0.00 H new ATOM 0 HA LYS A 40 6.111 -21.615 7.532 1.00 0.00 H new ATOM 0 HB2 LYS A 40 4.787 -22.653 5.615 1.00 0.00 H new ATOM 0 HB3 LYS A 40 5.474 -21.069 5.314 1.00 0.00 H new ATOM 0 HG2 LYS A 40 6.951 -21.844 3.737 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.182 -23.384 4.541 1.00 0.00 H new ATOM 0 HD2 LYS A 40 4.533 -22.711 3.236 1.00 0.00 H new ATOM 0 HD3 LYS A 40 5.870 -23.315 2.278 1.00 0.00 H new ATOM 0 HE2 LYS A 40 5.073 -24.782 4.794 1.00 0.00 H new ATOM 0 HE3 LYS A 40 4.115 -24.987 3.341 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 5.834 -26.666 3.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 6.116 -25.676 2.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 7.044 -25.476 3.559 1.00 0.00 H new ATOM 647 N GLU A 41 6.245 -23.877 8.515 1.00 0.00 N ATOM 648 CA GLU A 41 6.214 -25.213 9.099 1.00 0.00 C ATOM 649 C GLU A 41 4.782 -25.635 9.416 1.00 0.00 C ATOM 650 O GLU A 41 3.894 -24.795 9.558 1.00 0.00 O ATOM 651 CB GLU A 41 7.064 -25.258 10.371 1.00 0.00 C ATOM 652 CG GLU A 41 7.914 -26.512 10.490 1.00 0.00 C ATOM 653 CD GLU A 41 9.254 -26.377 9.794 1.00 0.00 C ATOM 654 OE1 GLU A 41 9.324 -25.659 8.775 1.00 0.00 O ATOM 655 OE2 GLU A 41 10.233 -26.989 10.270 1.00 0.00 O ATOM 0 H GLU A 41 6.004 -23.127 9.163 1.00 0.00 H new ATOM 0 HA GLU A 41 6.627 -25.910 8.370 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.715 -24.384 10.394 1.00 0.00 H new ATOM 0 HB3 GLU A 41 6.408 -25.190 11.239 1.00 0.00 H new ATOM 0 HG2 GLU A 41 8.077 -26.737 11.544 1.00 0.00 H new ATOM 0 HG3 GLU A 41 7.371 -27.356 10.064 1.00 0.00 H new ATOM 662 N GLU A 42 4.567 -26.942 9.524 1.00 0.00 N ATOM 663 CA GLU A 42 3.243 -27.475 9.822 1.00 0.00 C ATOM 664 C GLU A 42 2.871 -27.225 11.281 1.00 0.00 C ATOM 665 O GLU A 42 1.709 -27.348 11.665 1.00 0.00 O ATOM 666 CB GLU A 42 3.193 -28.975 9.522 1.00 0.00 C ATOM 667 CG GLU A 42 4.101 -29.805 10.415 1.00 0.00 C ATOM 668 CD GLU A 42 3.784 -31.286 10.353 1.00 0.00 C ATOM 669 OE1 GLU A 42 2.995 -31.689 9.473 1.00 0.00 O ATOM 670 OE2 GLU A 42 4.327 -32.043 11.185 1.00 0.00 O ATOM 0 H GLU A 42 5.292 -27.651 9.410 1.00 0.00 H new ATOM 0 HA GLU A 42 2.522 -26.960 9.188 1.00 0.00 H new ATOM 0 HB2 GLU A 42 2.167 -29.326 9.635 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.473 -29.138 8.481 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.138 -29.647 10.120 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.006 -29.460 11.445 1.00 0.00 H new ATOM 677 N GLN A 43 3.868 -26.873 12.087 1.00 0.00 N ATOM 678 CA GLN A 43 3.646 -26.606 13.503 1.00 0.00 C ATOM 679 C GLN A 43 3.481 -25.111 13.756 1.00 0.00 C ATOM 680 O GLN A 43 2.395 -24.647 14.104 1.00 0.00 O ATOM 681 CB GLN A 43 4.808 -27.151 14.335 1.00 0.00 C ATOM 682 CG GLN A 43 5.119 -28.614 14.061 1.00 0.00 C ATOM 683 CD GLN A 43 5.908 -29.262 15.182 1.00 0.00 C ATOM 684 OE1 GLN A 43 6.369 -28.588 16.103 1.00 0.00 O ATOM 685 NE2 GLN A 43 6.067 -30.579 15.109 1.00 0.00 N ATOM 0 H GLN A 43 4.836 -26.766 11.784 1.00 0.00 H new ATOM 0 HA GLN A 43 2.727 -27.110 13.802 1.00 0.00 H new ATOM 0 HB2 GLN A 43 5.698 -26.555 14.134 1.00 0.00 H new ATOM 0 HB3 GLN A 43 4.575 -27.030 15.393 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.186 -29.159 13.916 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.683 -28.694 13.132 1.00 0.00 H new ATOM 0 HE21 GLN A 43 5.668 -31.098 14.327 1.00 0.00 H new ATOM 0 HE22 GLN A 43 6.588 -31.071 15.835 1.00 0.00 H new ATOM 694 N TRP A 44 4.564 -24.364 13.580 1.00 0.00 N ATOM 695 CA TRP A 44 4.539 -22.921 13.790 1.00 0.00 C ATOM 696 C TRP A 44 5.108 -22.185 12.582 1.00 0.00 C ATOM 697 O TRP A 44 5.870 -22.754 11.800 1.00 0.00 O ATOM 698 CB TRP A 44 5.332 -22.553 15.046 1.00 0.00 C ATOM 699 CG TRP A 44 4.951 -23.365 16.247 1.00 0.00 C ATOM 700 CD1 TRP A 44 5.317 -24.654 16.515 1.00 0.00 C ATOM 701 CD2 TRP A 44 4.129 -22.944 17.341 1.00 0.00 C ATOM 702 NE1 TRP A 44 4.772 -25.059 17.709 1.00 0.00 N ATOM 703 CE2 TRP A 44 4.039 -24.028 18.236 1.00 0.00 C ATOM 704 CE3 TRP A 44 3.461 -21.756 17.652 1.00 0.00 C ATOM 705 CZ2 TRP A 44 3.308 -23.957 19.419 1.00 0.00 C ATOM 706 CZ3 TRP A 44 2.736 -21.688 18.826 1.00 0.00 C ATOM 707 CH2 TRP A 44 2.665 -22.782 19.699 1.00 0.00 C ATOM 0 H TRP A 44 5.470 -24.733 13.292 1.00 0.00 H new ATOM 0 HA TRP A 44 3.501 -22.617 13.922 1.00 0.00 H new ATOM 0 HB2 TRP A 44 6.395 -22.687 14.848 1.00 0.00 H new ATOM 0 HB3 TRP A 44 5.179 -21.497 15.267 1.00 0.00 H new ATOM 0 HD1 TRP A 44 5.943 -25.265 15.881 1.00 0.00 H new ATOM 0 HE1 TRP A 44 4.893 -25.978 18.134 1.00 0.00 H new ATOM 0 HE3 TRP A 44 3.511 -20.907 16.987 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.251 -24.800 20.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 2.215 -20.776 19.075 1.00 0.00 H new ATOM 0 HH2 TRP A 44 2.092 -22.696 20.610 1.00 0.00 H new ATOM 718 N TRP A 45 4.735 -20.919 12.436 1.00 0.00 N ATOM 719 CA TRP A 45 5.209 -20.105 11.322 1.00 0.00 C ATOM 720 C TRP A 45 6.274 -19.117 11.785 1.00 0.00 C ATOM 721 O TRP A 45 6.090 -18.413 12.778 1.00 0.00 O ATOM 722 CB TRP A 45 4.043 -19.354 10.679 1.00 0.00 C ATOM 723 CG TRP A 45 3.467 -20.058 9.488 1.00 0.00 C ATOM 724 CD1 TRP A 45 4.059 -20.222 8.268 1.00 0.00 C ATOM 725 CD2 TRP A 45 2.186 -20.691 9.403 1.00 0.00 C ATOM 726 NE1 TRP A 45 3.222 -20.918 7.430 1.00 0.00 N ATOM 727 CE2 TRP A 45 2.067 -21.219 8.102 1.00 0.00 C ATOM 728 CE3 TRP A 45 1.128 -20.866 10.300 1.00 0.00 C ATOM 729 CZ2 TRP A 45 0.933 -21.907 7.679 1.00 0.00 C ATOM 730 CZ3 TRP A 45 0.003 -21.548 9.878 1.00 0.00 C ATOM 731 CH2 TRP A 45 -0.087 -22.063 8.577 1.00 0.00 C ATOM 0 H TRP A 45 4.106 -20.433 13.075 1.00 0.00 H new ATOM 0 HA TRP A 45 5.654 -20.770 10.582 1.00 0.00 H new ATOM 0 HB2 TRP A 45 3.258 -19.211 11.422 1.00 0.00 H new ATOM 0 HB3 TRP A 45 4.381 -18.363 10.378 1.00 0.00 H new ATOM 0 HD1 TRP A 45 5.040 -19.858 8.001 1.00 0.00 H new ATOM 0 HE1 TRP A 45 3.428 -21.170 6.463 1.00 0.00 H new ATOM 0 HE3 TRP A 45 1.189 -20.475 11.305 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.861 -22.304 6.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 -0.821 -21.687 10.562 1.00 0.00 H new ATOM 0 HH2 TRP A 45 -0.979 -22.593 8.278 1.00 0.00 H new ATOM 742 N TRP A 46 7.385 -19.069 11.060 1.00 0.00 N ATOM 743 CA TRP A 46 8.479 -18.165 11.397 1.00 0.00 C ATOM 744 C TRP A 46 8.265 -16.792 10.768 1.00 0.00 C ATOM 745 O TRP A 46 8.162 -16.667 9.548 1.00 0.00 O ATOM 746 CB TRP A 46 9.813 -18.750 10.931 1.00 0.00 C ATOM 747 CG TRP A 46 10.342 -19.819 11.838 1.00 0.00 C ATOM 748 CD1 TRP A 46 9.909 -21.112 11.921 1.00 0.00 C ATOM 749 CD2 TRP A 46 11.402 -19.687 12.791 1.00 0.00 C ATOM 750 NE1 TRP A 46 10.636 -21.791 12.869 1.00 0.00 N ATOM 751 CE2 TRP A 46 11.559 -20.940 13.416 1.00 0.00 C ATOM 752 CE3 TRP A 46 12.236 -18.634 13.176 1.00 0.00 C ATOM 753 CZ2 TRP A 46 12.513 -21.164 14.405 1.00 0.00 C ATOM 754 CZ3 TRP A 46 13.183 -18.858 14.157 1.00 0.00 C ATOM 755 CH2 TRP A 46 13.316 -20.115 14.762 1.00 0.00 C ATOM 0 H TRP A 46 7.553 -19.645 10.235 1.00 0.00 H new ATOM 0 HA TRP A 46 8.500 -18.048 12.481 1.00 0.00 H new ATOM 0 HB2 TRP A 46 9.691 -19.161 9.929 1.00 0.00 H new ATOM 0 HB3 TRP A 46 10.548 -17.948 10.859 1.00 0.00 H new ATOM 0 HD1 TRP A 46 9.113 -21.538 11.329 1.00 0.00 H new ATOM 0 HE1 TRP A 46 10.509 -22.770 13.124 1.00 0.00 H new ATOM 0 HE3 TRP A 46 12.142 -17.662 12.715 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 12.616 -22.131 14.874 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 13.832 -18.051 14.463 1.00 0.00 H new ATOM 0 HH2 TRP A 46 14.067 -20.259 15.525 1.00 0.00 H new ATOM 766 N ALA A 47 8.197 -15.765 11.609 1.00 0.00 N ATOM 767 CA ALA A 47 7.997 -14.402 11.135 1.00 0.00 C ATOM 768 C ALA A 47 9.219 -13.536 11.422 1.00 0.00 C ATOM 769 O ALA A 47 9.977 -13.802 12.355 1.00 0.00 O ATOM 770 CB ALA A 47 6.757 -13.796 11.776 1.00 0.00 C ATOM 0 H ALA A 47 8.278 -15.852 12.622 1.00 0.00 H new ATOM 0 HA ALA A 47 7.854 -14.437 10.055 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.620 -12.778 11.412 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.884 -14.394 11.516 1.00 0.00 H new ATOM 0 HB3 ALA A 47 6.878 -13.781 12.859 1.00 0.00 H new ATOM 776 N THR A 48 9.406 -12.497 10.613 1.00 0.00 N ATOM 777 CA THR A 48 10.537 -11.593 10.779 1.00 0.00 C ATOM 778 C THR A 48 10.088 -10.137 10.741 1.00 0.00 C ATOM 779 O THR A 48 9.544 -9.670 9.739 1.00 0.00 O ATOM 780 CB THR A 48 11.601 -11.819 9.688 1.00 0.00 C ATOM 781 OG1 THR A 48 11.971 -13.201 9.642 1.00 0.00 O ATOM 782 CG2 THR A 48 12.834 -10.967 9.950 1.00 0.00 C ATOM 0 H THR A 48 8.788 -12.261 9.836 1.00 0.00 H new ATOM 0 HA THR A 48 10.974 -11.810 11.754 1.00 0.00 H new ATOM 0 HB THR A 48 11.173 -11.526 8.729 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.646 -13.336 8.945 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.571 -11.143 9.167 1.00 0.00 H new ATOM 0 HG22 THR A 48 12.554 -9.914 9.954 1.00 0.00 H new ATOM 0 HG23 THR A 48 13.261 -11.233 10.917 1.00 0.00 H new ATOM 790 N LEU A 49 10.317 -9.423 11.837 1.00 0.00 N ATOM 791 CA LEU A 49 9.936 -8.018 11.929 1.00 0.00 C ATOM 792 C LEU A 49 10.950 -7.131 11.215 1.00 0.00 C ATOM 793 O LEU A 49 12.107 -7.036 11.626 1.00 0.00 O ATOM 794 CB LEU A 49 9.816 -7.597 13.395 1.00 0.00 C ATOM 795 CG LEU A 49 8.465 -7.019 13.819 1.00 0.00 C ATOM 796 CD1 LEU A 49 8.284 -5.618 13.256 1.00 0.00 C ATOM 797 CD2 LEU A 49 7.331 -7.927 13.367 1.00 0.00 C ATOM 0 H LEU A 49 10.765 -9.794 12.675 1.00 0.00 H new ATOM 0 HA LEU A 49 8.968 -7.897 11.442 1.00 0.00 H new ATOM 0 HB2 LEU A 49 10.030 -8.464 14.020 1.00 0.00 H new ATOM 0 HB3 LEU A 49 10.587 -6.856 13.604 1.00 0.00 H new ATOM 0 HG LEU A 49 8.443 -6.957 14.907 1.00 0.00 H new ATOM 0 HD11 LEU A 49 7.317 -5.223 13.568 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.078 -4.971 13.628 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.327 -5.655 12.167 1.00 0.00 H new ATOM 0 HD21 LEU A 49 6.377 -7.500 13.677 1.00 0.00 H new ATOM 0 HD22 LEU A 49 7.351 -8.021 12.281 1.00 0.00 H new ATOM 0 HD23 LEU A 49 7.452 -8.912 13.818 1.00 0.00 H new ATOM 809 N LEU A 50 10.509 -6.480 10.144 1.00 0.00 N ATOM 810 CA LEU A 50 11.377 -5.598 9.373 1.00 0.00 C ATOM 811 C LEU A 50 10.959 -4.140 9.541 1.00 0.00 C ATOM 812 O LEU A 50 9.810 -3.848 9.871 1.00 0.00 O ATOM 813 CB LEU A 50 11.343 -5.983 7.893 1.00 0.00 C ATOM 814 CG LEU A 50 10.908 -7.415 7.581 1.00 0.00 C ATOM 815 CD1 LEU A 50 10.835 -7.636 6.078 1.00 0.00 C ATOM 816 CD2 LEU A 50 11.861 -8.413 8.223 1.00 0.00 C ATOM 0 H LEU A 50 9.555 -6.547 9.790 1.00 0.00 H new ATOM 0 HA LEU A 50 12.394 -5.711 9.748 1.00 0.00 H new ATOM 0 HB2 LEU A 50 10.670 -5.299 7.376 1.00 0.00 H new ATOM 0 HB3 LEU A 50 12.338 -5.828 7.475 1.00 0.00 H new ATOM 0 HG LEU A 50 9.913 -7.571 7.999 1.00 0.00 H new ATOM 0 HD11 LEU A 50 10.524 -8.661 5.876 1.00 0.00 H new ATOM 0 HD12 LEU A 50 10.113 -6.945 5.643 1.00 0.00 H new ATOM 0 HD13 LEU A 50 11.816 -7.461 5.636 1.00 0.00 H new ATOM 0 HD21 LEU A 50 11.536 -9.427 7.991 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.867 -8.256 7.835 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.863 -8.271 9.304 1.00 0.00 H new ATOM 828 N ASP A 51 11.899 -3.231 9.309 1.00 0.00 N ATOM 829 CA ASP A 51 11.629 -1.803 9.432 1.00 0.00 C ATOM 830 C ASP A 51 10.770 -1.311 8.271 1.00 0.00 C ATOM 831 O ASP A 51 10.454 -2.071 7.355 1.00 0.00 O ATOM 832 CB ASP A 51 12.939 -1.016 9.482 1.00 0.00 C ATOM 833 CG ASP A 51 12.859 0.185 10.404 1.00 0.00 C ATOM 834 OD1 ASP A 51 12.950 -0.006 11.635 1.00 0.00 O ATOM 835 OD2 ASP A 51 12.705 1.314 9.895 1.00 0.00 O ATOM 0 H ASP A 51 12.855 -3.457 9.035 1.00 0.00 H new ATOM 0 HA ASP A 51 11.082 -1.641 10.361 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.742 -1.674 9.816 1.00 0.00 H new ATOM 0 HB3 ASP A 51 13.197 -0.682 8.477 1.00 0.00 H new ATOM 840 N GLU A 52 10.394 -0.037 8.317 1.00 0.00 N ATOM 841 CA GLU A 52 9.570 0.554 7.270 1.00 0.00 C ATOM 842 C GLU A 52 10.249 0.432 5.909 1.00 0.00 C ATOM 843 O GLU A 52 9.587 0.429 4.871 1.00 0.00 O ATOM 844 CB GLU A 52 9.288 2.026 7.581 1.00 0.00 C ATOM 845 CG GLU A 52 10.510 2.919 7.454 1.00 0.00 C ATOM 846 CD GLU A 52 10.238 4.346 7.888 1.00 0.00 C ATOM 847 OE1 GLU A 52 9.429 4.539 8.819 1.00 0.00 O ATOM 848 OE2 GLU A 52 10.834 5.270 7.295 1.00 0.00 O ATOM 0 H GLU A 52 10.647 0.605 9.068 1.00 0.00 H new ATOM 0 HA GLU A 52 8.626 0.010 7.236 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.512 2.389 6.907 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.894 2.106 8.594 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.320 2.508 8.057 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.851 2.917 6.419 1.00 0.00 H new ATOM 855 N ALA A 53 11.574 0.331 5.922 1.00 0.00 N ATOM 856 CA ALA A 53 12.343 0.207 4.690 1.00 0.00 C ATOM 857 C ALA A 53 12.404 -1.243 4.225 1.00 0.00 C ATOM 858 O ALA A 53 12.709 -1.522 3.066 1.00 0.00 O ATOM 859 CB ALA A 53 13.747 0.760 4.887 1.00 0.00 C ATOM 0 H ALA A 53 12.137 0.333 6.772 1.00 0.00 H new ATOM 0 HA ALA A 53 11.841 0.788 3.917 1.00 0.00 H new ATOM 0 HB1 ALA A 53 14.310 0.661 3.959 1.00 0.00 H new ATOM 0 HB2 ALA A 53 13.688 1.812 5.165 1.00 0.00 H new ATOM 0 HB3 ALA A 53 14.250 0.203 5.678 1.00 0.00 H new ATOM 865 N GLY A 54 12.114 -2.166 5.138 1.00 0.00 N ATOM 866 CA GLY A 54 12.142 -3.577 4.801 1.00 0.00 C ATOM 867 C GLY A 54 13.295 -4.307 5.462 1.00 0.00 C ATOM 868 O GLY A 54 13.346 -5.537 5.454 1.00 0.00 O ATOM 0 H GLY A 54 11.860 -1.961 6.104 1.00 0.00 H new ATOM 0 HA2 GLY A 54 11.202 -4.039 5.104 1.00 0.00 H new ATOM 0 HA3 GLY A 54 12.218 -3.688 3.719 1.00 0.00 H new ATOM 872 N GLY A 55 14.224 -3.548 6.035 1.00 0.00 N ATOM 873 CA GLY A 55 15.370 -4.149 6.693 1.00 0.00 C ATOM 874 C GLY A 55 14.982 -4.934 7.930 1.00 0.00 C ATOM 875 O GLY A 55 14.361 -4.396 8.846 1.00 0.00 O ATOM 0 H GLY A 55 14.204 -2.528 6.055 1.00 0.00 H new ATOM 0 HA2 GLY A 55 15.882 -4.809 5.993 1.00 0.00 H new ATOM 0 HA3 GLY A 55 16.078 -3.367 6.970 1.00 0.00 H new ATOM 879 N ALA A 56 15.347 -6.212 7.956 1.00 0.00 N ATOM 880 CA ALA A 56 15.034 -7.073 9.089 1.00 0.00 C ATOM 881 C ALA A 56 15.471 -6.433 10.402 1.00 0.00 C ATOM 882 O ALA A 56 16.390 -5.613 10.430 1.00 0.00 O ATOM 883 CB ALA A 56 15.694 -8.433 8.917 1.00 0.00 C ATOM 0 H ALA A 56 15.860 -6.673 7.205 1.00 0.00 H new ATOM 0 HA ALA A 56 13.953 -7.208 9.123 1.00 0.00 H new ATOM 0 HB1 ALA A 56 15.452 -9.066 9.771 1.00 0.00 H new ATOM 0 HB2 ALA A 56 15.329 -8.902 8.003 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.775 -8.307 8.854 1.00 0.00 H new ATOM 889 N VAL A 57 14.808 -6.811 11.490 1.00 0.00 N ATOM 890 CA VAL A 57 15.128 -6.274 12.807 1.00 0.00 C ATOM 891 C VAL A 57 14.949 -7.331 13.891 1.00 0.00 C ATOM 892 O VAL A 57 15.913 -7.746 14.533 1.00 0.00 O ATOM 893 CB VAL A 57 14.250 -5.055 13.145 1.00 0.00 C ATOM 894 CG1 VAL A 57 14.750 -4.369 14.408 1.00 0.00 C ATOM 895 CG2 VAL A 57 14.219 -4.081 11.977 1.00 0.00 C ATOM 0 H VAL A 57 14.045 -7.488 11.485 1.00 0.00 H new ATOM 0 HA VAL A 57 16.172 -5.963 12.776 1.00 0.00 H new ATOM 0 HB VAL A 57 13.233 -5.402 13.327 1.00 0.00 H new ATOM 0 HG11 VAL A 57 14.117 -3.510 14.631 1.00 0.00 H new ATOM 0 HG12 VAL A 57 14.715 -5.071 15.241 1.00 0.00 H new ATOM 0 HG13 VAL A 57 15.776 -4.034 14.258 1.00 0.00 H new ATOM 0 HG21 VAL A 57 13.594 -3.226 12.233 1.00 0.00 H new ATOM 0 HG22 VAL A 57 15.231 -3.739 11.761 1.00 0.00 H new ATOM 0 HG23 VAL A 57 13.809 -4.579 11.098 1.00 0.00 H new ATOM 905 N ALA A 58 13.708 -7.764 14.088 1.00 0.00 N ATOM 906 CA ALA A 58 13.402 -8.776 15.092 1.00 0.00 C ATOM 907 C ALA A 58 13.057 -10.110 14.439 1.00 0.00 C ATOM 908 O ALA A 58 12.662 -10.157 13.275 1.00 0.00 O ATOM 909 CB ALA A 58 12.258 -8.309 15.980 1.00 0.00 C ATOM 0 H ALA A 58 12.898 -7.430 13.566 1.00 0.00 H new ATOM 0 HA ALA A 58 14.289 -8.922 15.708 1.00 0.00 H new ATOM 0 HB1 ALA A 58 12.040 -9.074 16.725 1.00 0.00 H new ATOM 0 HB2 ALA A 58 12.541 -7.384 16.482 1.00 0.00 H new ATOM 0 HB3 ALA A 58 11.372 -8.134 15.370 1.00 0.00 H new ATOM 915 N GLN A 59 13.209 -11.191 15.197 1.00 0.00 N ATOM 916 CA GLN A 59 12.915 -12.526 14.691 1.00 0.00 C ATOM 917 C GLN A 59 12.076 -13.315 15.691 1.00 0.00 C ATOM 918 O GLN A 59 12.040 -12.992 16.877 1.00 0.00 O ATOM 919 CB GLN A 59 14.212 -13.279 14.390 1.00 0.00 C ATOM 920 CG GLN A 59 15.218 -12.462 13.595 1.00 0.00 C ATOM 921 CD GLN A 59 16.326 -13.314 13.006 1.00 0.00 C ATOM 922 OE1 GLN A 59 17.487 -13.204 13.401 1.00 0.00 O ATOM 923 NE2 GLN A 59 15.971 -14.171 12.055 1.00 0.00 N ATOM 0 H GLN A 59 13.534 -11.168 16.164 1.00 0.00 H new ATOM 0 HA GLN A 59 12.344 -12.419 13.769 1.00 0.00 H new ATOM 0 HB2 GLN A 59 14.669 -13.589 15.330 1.00 0.00 H new ATOM 0 HB3 GLN A 59 13.975 -14.187 13.836 1.00 0.00 H new ATOM 0 HG2 GLN A 59 14.701 -11.938 12.791 1.00 0.00 H new ATOM 0 HG3 GLN A 59 15.655 -11.701 14.242 1.00 0.00 H new ATOM 0 HE21 GLN A 59 14.997 -14.229 11.758 1.00 0.00 H new ATOM 0 HE22 GLN A 59 16.673 -14.771 11.622 1.00 0.00 H new ATOM 932 N GLY A 60 11.401 -14.352 15.203 1.00 0.00 N ATOM 933 CA GLY A 60 10.571 -15.170 16.067 1.00 0.00 C ATOM 934 C GLY A 60 9.388 -15.771 15.335 1.00 0.00 C ATOM 935 O GLY A 60 9.092 -15.391 14.202 1.00 0.00 O ATOM 0 H GLY A 60 11.415 -14.640 14.224 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.175 -15.971 16.494 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.210 -14.565 16.899 1.00 0.00 H new ATOM 939 N TYR A 61 8.711 -16.713 15.982 1.00 0.00 N ATOM 940 CA TYR A 61 7.556 -17.372 15.384 1.00 0.00 C ATOM 941 C TYR A 61 6.348 -17.303 16.313 1.00 0.00 C ATOM 942 O TYR A 61 6.492 -17.211 17.532 1.00 0.00 O ATOM 943 CB TYR A 61 7.884 -18.831 15.062 1.00 0.00 C ATOM 944 CG TYR A 61 8.379 -19.617 16.255 1.00 0.00 C ATOM 945 CD1 TYR A 61 7.506 -20.011 17.262 1.00 0.00 C ATOM 946 CD2 TYR A 61 9.718 -19.966 16.375 1.00 0.00 C ATOM 947 CE1 TYR A 61 7.954 -20.730 18.354 1.00 0.00 C ATOM 948 CE2 TYR A 61 10.174 -20.685 17.463 1.00 0.00 C ATOM 949 CZ TYR A 61 9.288 -21.064 18.449 1.00 0.00 C ATOM 950 OH TYR A 61 9.739 -21.780 19.535 1.00 0.00 O ATOM 0 H TYR A 61 8.942 -17.038 16.921 1.00 0.00 H new ATOM 0 HA TYR A 61 7.310 -16.850 14.459 1.00 0.00 H new ATOM 0 HB2 TYR A 61 6.993 -19.315 14.662 1.00 0.00 H new ATOM 0 HB3 TYR A 61 8.641 -18.860 14.278 1.00 0.00 H new ATOM 0 HD1 TYR A 61 6.460 -19.751 17.190 1.00 0.00 H new ATOM 0 HD2 TYR A 61 10.415 -19.670 15.605 1.00 0.00 H new ATOM 0 HE1 TYR A 61 7.263 -21.028 19.128 1.00 0.00 H new ATOM 0 HE2 TYR A 61 11.218 -20.949 17.541 1.00 0.00 H new ATOM 0 HH TYR A 61 10.703 -21.934 19.448 1.00 0.00 H new ATOM 960 N VAL A 62 5.155 -17.350 15.727 1.00 0.00 N ATOM 961 CA VAL A 62 3.921 -17.295 16.501 1.00 0.00 C ATOM 962 C VAL A 62 2.844 -18.180 15.882 1.00 0.00 C ATOM 963 O VAL A 62 2.866 -18.485 14.689 1.00 0.00 O ATOM 964 CB VAL A 62 3.387 -15.854 16.606 1.00 0.00 C ATOM 965 CG1 VAL A 62 4.173 -15.068 17.645 1.00 0.00 C ATOM 966 CG2 VAL A 62 3.443 -15.166 15.250 1.00 0.00 C ATOM 0 H VAL A 62 5.018 -17.426 14.719 1.00 0.00 H new ATOM 0 HA VAL A 62 4.158 -17.660 17.500 1.00 0.00 H new ATOM 0 HB VAL A 62 2.346 -15.892 16.926 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.782 -14.052 17.705 1.00 0.00 H new ATOM 0 HG12 VAL A 62 4.077 -15.552 18.617 1.00 0.00 H new ATOM 0 HG13 VAL A 62 5.224 -15.035 17.358 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.062 -14.149 15.342 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.475 -15.137 14.899 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.832 -15.719 14.536 1.00 0.00 H new ATOM 976 N PRO A 63 1.878 -18.603 16.710 1.00 0.00 N ATOM 977 CA PRO A 63 0.773 -19.458 16.266 1.00 0.00 C ATOM 978 C PRO A 63 -0.198 -18.721 15.350 1.00 0.00 C ATOM 979 O PRO A 63 -0.478 -17.538 15.548 1.00 0.00 O ATOM 980 CB PRO A 63 0.082 -19.852 17.574 1.00 0.00 C ATOM 981 CG PRO A 63 0.413 -18.753 18.523 1.00 0.00 C ATOM 982 CD PRO A 63 1.789 -18.279 18.144 1.00 0.00 C ATOM 0 HA PRO A 63 1.124 -20.308 15.681 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.995 -19.948 17.439 1.00 0.00 H new ATOM 0 HB3 PRO A 63 0.444 -20.813 17.939 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -0.313 -17.943 18.450 1.00 0.00 H new ATOM 0 HG3 PRO A 63 0.392 -19.108 19.553 1.00 0.00 H new ATOM 0 HD2 PRO A 63 1.909 -17.211 18.323 1.00 0.00 H new ATOM 0 HD3 PRO A 63 2.562 -18.788 18.720 1.00 0.00 H new ATOM 990 N HIS A 64 -0.711 -19.428 14.348 1.00 0.00 N ATOM 991 CA HIS A 64 -1.653 -18.840 13.402 1.00 0.00 C ATOM 992 C HIS A 64 -2.942 -18.427 14.105 1.00 0.00 C ATOM 993 O HIS A 64 -3.681 -17.574 13.615 1.00 0.00 O ATOM 994 CB HIS A 64 -1.965 -19.830 12.279 1.00 0.00 C ATOM 995 CG HIS A 64 -2.781 -21.004 12.726 1.00 0.00 C ATOM 996 ND1 HIS A 64 -2.296 -21.980 13.571 1.00 0.00 N ATOM 997 CD2 HIS A 64 -4.056 -21.356 12.441 1.00 0.00 C ATOM 998 CE1 HIS A 64 -3.237 -22.881 13.786 1.00 0.00 C ATOM 999 NE2 HIS A 64 -4.316 -22.526 13.111 1.00 0.00 N ATOM 0 H HIS A 64 -0.491 -20.408 14.170 1.00 0.00 H new ATOM 0 HA HIS A 64 -1.192 -17.950 12.974 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -2.498 -19.309 11.484 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -1.029 -20.190 11.852 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -4.742 -20.817 11.805 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -3.141 -23.759 14.408 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -5.198 -23.038 13.091 1.00 0.00 H new ATOM 1007 N ASN A 65 -3.206 -19.038 15.255 1.00 0.00 N ATOM 1008 CA ASN A 65 -4.407 -18.735 16.024 1.00 0.00 C ATOM 1009 C ASN A 65 -4.361 -17.308 16.564 1.00 0.00 C ATOM 1010 O ASN A 65 -5.382 -16.755 16.972 1.00 0.00 O ATOM 1011 CB ASN A 65 -4.561 -19.725 17.181 1.00 0.00 C ATOM 1012 CG ASN A 65 -4.779 -21.146 16.700 1.00 0.00 C ATOM 1013 OD1 ASN A 65 -4.056 -22.063 17.090 1.00 0.00 O ATOM 1014 ND2 ASN A 65 -5.781 -21.335 15.848 1.00 0.00 N ATOM 0 H ASN A 65 -2.604 -19.746 15.675 1.00 0.00 H new ATOM 0 HA ASN A 65 -5.266 -18.826 15.360 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.670 -19.689 17.808 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -5.402 -19.422 17.805 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -5.977 -22.270 15.490 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -6.355 -20.545 15.552 1.00 0.00 H new ATOM 1021 N TYR A 66 -3.170 -16.719 16.562 1.00 0.00 N ATOM 1022 CA TYR A 66 -2.990 -15.358 17.053 1.00 0.00 C ATOM 1023 C TYR A 66 -2.715 -14.396 15.902 1.00 0.00 C ATOM 1024 O TYR A 66 -3.226 -13.275 15.878 1.00 0.00 O ATOM 1025 CB TYR A 66 -1.842 -15.305 18.062 1.00 0.00 C ATOM 1026 CG TYR A 66 -2.068 -14.318 19.185 1.00 0.00 C ATOM 1027 CD1 TYR A 66 -2.303 -12.974 18.918 1.00 0.00 C ATOM 1028 CD2 TYR A 66 -2.045 -14.727 20.512 1.00 0.00 C ATOM 1029 CE1 TYR A 66 -2.509 -12.068 19.940 1.00 0.00 C ATOM 1030 CE2 TYR A 66 -2.252 -13.829 21.541 1.00 0.00 C ATOM 1031 CZ TYR A 66 -2.483 -12.500 21.250 1.00 0.00 C ATOM 1032 OH TYR A 66 -2.687 -11.602 22.272 1.00 0.00 O ATOM 0 H TYR A 66 -2.315 -17.163 16.226 1.00 0.00 H new ATOM 0 HA TYR A 66 -3.913 -15.052 17.546 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -1.696 -16.298 18.486 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -0.922 -15.044 17.539 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -2.325 -12.632 17.894 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -1.862 -15.766 20.744 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -2.689 -11.027 19.715 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -2.233 -14.165 22.567 1.00 0.00 H new ATOM 0 HH TYR A 66 -2.638 -12.069 23.132 1.00 0.00 H new ATOM 1042 N LEU A 67 -1.905 -14.841 14.948 1.00 0.00 N ATOM 1043 CA LEU A 67 -1.560 -14.021 13.792 1.00 0.00 C ATOM 1044 C LEU A 67 -2.510 -14.293 12.629 1.00 0.00 C ATOM 1045 O LEU A 67 -2.882 -15.438 12.374 1.00 0.00 O ATOM 1046 CB LEU A 67 -0.118 -14.292 13.361 1.00 0.00 C ATOM 1047 CG LEU A 67 0.712 -13.064 12.985 1.00 0.00 C ATOM 1048 CD1 LEU A 67 -0.051 -12.183 12.008 1.00 0.00 C ATOM 1049 CD2 LEU A 67 1.094 -12.276 14.230 1.00 0.00 C ATOM 0 H LEU A 67 -1.475 -15.766 14.952 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.656 -12.974 14.079 1.00 0.00 H new ATOM 0 HB2 LEU A 67 0.390 -14.815 14.171 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -0.136 -14.969 12.507 1.00 0.00 H new ATOM 0 HG LEU A 67 1.627 -13.403 12.499 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.555 -11.314 11.752 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.273 -12.750 11.104 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -0.983 -11.853 12.467 1.00 0.00 H new ATOM 0 HD21 LEU A 67 1.684 -11.406 13.943 1.00 0.00 H new ATOM 0 HD22 LEU A 67 0.191 -11.948 14.744 1.00 0.00 H new ATOM 0 HD23 LEU A 67 1.681 -12.909 14.895 1.00 0.00 H new ATOM 1061 N ALA A 68 -2.896 -13.233 11.927 1.00 0.00 N ATOM 1062 CA ALA A 68 -3.798 -13.359 10.789 1.00 0.00 C ATOM 1063 C ALA A 68 -3.161 -12.805 9.519 1.00 0.00 C ATOM 1064 O ALA A 68 -2.604 -11.708 9.522 1.00 0.00 O ATOM 1065 CB ALA A 68 -5.112 -12.647 11.076 1.00 0.00 C ATOM 0 H ALA A 68 -2.598 -12.278 12.126 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.998 -14.419 10.631 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.776 -12.749 10.218 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -5.582 -13.091 11.954 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.920 -11.590 11.263 1.00 0.00 H new ATOM 1071 N GLU A 69 -3.246 -13.572 8.437 1.00 0.00 N ATOM 1072 CA GLU A 69 -2.675 -13.157 7.161 1.00 0.00 C ATOM 1073 C GLU A 69 -3.451 -11.981 6.574 1.00 0.00 C ATOM 1074 O GLU A 69 -4.682 -11.980 6.562 1.00 0.00 O ATOM 1075 CB GLU A 69 -2.675 -14.325 6.173 1.00 0.00 C ATOM 1076 CG GLU A 69 -4.051 -14.651 5.615 1.00 0.00 C ATOM 1077 CD GLU A 69 -4.155 -16.079 5.117 1.00 0.00 C ATOM 1078 OE1 GLU A 69 -3.122 -16.782 5.108 1.00 0.00 O ATOM 1079 OE2 GLU A 69 -5.269 -16.495 4.737 1.00 0.00 O ATOM 0 H GLU A 69 -3.704 -14.483 8.418 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.647 -12.840 7.338 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.003 -14.091 5.347 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.275 -15.209 6.669 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.801 -14.484 6.388 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -4.279 -13.967 4.797 1.00 0.00 H new ATOM 1086 N ARG A 70 -2.722 -10.981 6.090 1.00 0.00 N ATOM 1087 CA ARG A 70 -3.341 -9.798 5.505 1.00 0.00 C ATOM 1088 C ARG A 70 -3.117 -9.758 3.996 1.00 0.00 C ATOM 1089 O ARG A 70 -2.761 -8.720 3.439 1.00 0.00 O ATOM 1090 CB ARG A 70 -2.777 -8.529 6.148 1.00 0.00 C ATOM 1091 CG ARG A 70 -2.864 -8.526 7.665 1.00 0.00 C ATOM 1092 CD ARG A 70 -4.279 -8.233 8.142 1.00 0.00 C ATOM 1093 NE ARG A 70 -5.101 -9.439 8.188 1.00 0.00 N ATOM 1094 CZ ARG A 70 -6.289 -9.496 8.780 1.00 0.00 C ATOM 1095 NH1 ARG A 70 -6.790 -8.422 9.373 1.00 0.00 N ATOM 1096 NH2 ARG A 70 -6.978 -10.630 8.780 1.00 0.00 N ATOM 0 H ARG A 70 -1.702 -10.966 6.091 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.413 -9.848 5.696 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.734 -8.414 5.852 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.316 -7.665 5.760 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.542 -9.493 8.051 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.181 -7.778 8.068 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.241 -7.782 9.134 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.742 -7.504 7.477 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.744 -10.284 7.741 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.263 -7.549 9.376 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -7.702 -8.469 9.827 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -6.596 -11.459 8.325 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -7.890 -10.673 9.235 1.00 0.00 H new