USER MOD reduce.3.24.130724 H: found=0, std=0, add=455, rem=0, adj=9 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+ -153:sc= -0.124 (180deg=-0.639) USER MOD Single : A 21 SER OG : rot 112:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= -0.0601 USER MOD Single : A 28 SER OG : rot 49:sc= 0.53 USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 40 LYS NZ :NH3+ 164:sc=-0.00794 (180deg=-0.158) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.293 K(o=-0.29,f=-1.9!) USER MOD Single : A 61 TYR OH : rot -51:sc= 0.105 USER MOD Single : A 64 HIS : no HD1:sc= -0.061 X(o=-0.061,f=-0.061) USER MOD Single : A 65 ASN : amide:sc= -0.0138 X(o=-0.014,f=0) USER MOD Single : A 66 TYR OH : rot 88:sc= 1.97 USER MOD ----------------------------------------------------------------- ATOM 165 N LYS A 12 1.372 -8.439 3.171 1.00 0.00 N ATOM 166 CA LYS A 12 1.974 -8.476 4.498 1.00 0.00 C ATOM 167 C LYS A 12 1.094 -9.252 5.473 1.00 0.00 C ATOM 168 O LYS A 12 -0.072 -9.529 5.187 1.00 0.00 O ATOM 169 CB LYS A 12 2.200 -7.055 5.018 1.00 0.00 C ATOM 170 CG LYS A 12 3.635 -6.578 4.879 1.00 0.00 C ATOM 171 CD LYS A 12 4.108 -6.644 3.436 1.00 0.00 C ATOM 172 CE LYS A 12 5.457 -5.964 3.260 1.00 0.00 C ATOM 173 NZ LYS A 12 5.732 -5.638 1.833 1.00 0.00 N ATOM 0 HA LYS A 12 2.935 -8.984 4.420 1.00 0.00 H new ATOM 0 HB2 LYS A 12 1.545 -6.371 4.479 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.911 -7.011 6.068 1.00 0.00 H new ATOM 0 HG2 LYS A 12 3.716 -5.554 5.243 1.00 0.00 H new ATOM 0 HG3 LYS A 12 4.285 -7.190 5.504 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.181 -7.686 3.123 1.00 0.00 H new ATOM 0 HD3 LYS A 12 3.372 -6.167 2.789 1.00 0.00 H new ATOM 0 HE2 LYS A 12 5.483 -5.050 3.853 1.00 0.00 H new ATOM 0 HE3 LYS A 12 6.244 -6.614 3.642 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 6.660 -5.176 1.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.733 -6.513 1.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 4.995 -4.997 1.475 1.00 0.00 H new ATOM 187 N TYR A 13 1.658 -9.598 6.625 1.00 0.00 N ATOM 188 CA TYR A 13 0.924 -10.342 7.642 1.00 0.00 C ATOM 189 C TYR A 13 0.976 -9.623 8.986 1.00 0.00 C ATOM 190 O TYR A 13 2.029 -9.147 9.409 1.00 0.00 O ATOM 191 CB TYR A 13 1.497 -11.754 7.783 1.00 0.00 C ATOM 192 CG TYR A 13 1.107 -12.682 6.656 1.00 0.00 C ATOM 193 CD1 TYR A 13 1.618 -12.505 5.376 1.00 0.00 C ATOM 194 CD2 TYR A 13 0.226 -13.734 6.869 1.00 0.00 C ATOM 195 CE1 TYR A 13 1.264 -13.350 4.342 1.00 0.00 C ATOM 196 CE2 TYR A 13 -0.133 -14.585 5.842 1.00 0.00 C ATOM 197 CZ TYR A 13 0.388 -14.389 4.580 1.00 0.00 C ATOM 198 OH TYR A 13 0.032 -15.233 3.553 1.00 0.00 O ATOM 0 H TYR A 13 2.621 -9.375 6.878 1.00 0.00 H new ATOM 0 HA TYR A 13 -0.117 -10.409 7.327 1.00 0.00 H new ATOM 0 HB2 TYR A 13 2.584 -11.692 7.832 1.00 0.00 H new ATOM 0 HB3 TYR A 13 1.159 -12.181 8.727 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.304 -11.693 5.186 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.186 -13.890 7.855 1.00 0.00 H new ATOM 0 HE1 TYR A 13 1.671 -13.198 3.353 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.818 -15.399 6.026 1.00 0.00 H new ATOM 0 HH TYR A 13 -0.591 -15.911 3.888 1.00 0.00 H new ATOM 208 N VAL A 14 -0.171 -9.549 9.654 1.00 0.00 N ATOM 209 CA VAL A 14 -0.259 -8.890 10.952 1.00 0.00 C ATOM 210 C VAL A 14 -1.192 -9.645 11.890 1.00 0.00 C ATOM 211 O VAL A 14 -2.073 -10.381 11.447 1.00 0.00 O ATOM 212 CB VAL A 14 -0.754 -7.438 10.812 1.00 0.00 C ATOM 213 CG1 VAL A 14 -2.267 -7.402 10.658 1.00 0.00 C ATOM 214 CG2 VAL A 14 -0.312 -6.607 12.007 1.00 0.00 C ATOM 0 H VAL A 14 -1.052 -9.937 9.318 1.00 0.00 H new ATOM 0 HA VAL A 14 0.747 -8.884 11.372 1.00 0.00 H new ATOM 0 HB VAL A 14 -0.311 -7.007 9.914 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -2.598 -6.368 10.560 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -2.556 -7.961 9.768 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -2.733 -7.851 11.535 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -0.670 -5.584 11.891 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -0.725 -7.035 12.920 1.00 0.00 H new ATOM 0 HG23 VAL A 14 0.776 -6.606 12.067 1.00 0.00 H new ATOM 224 N GLY A 15 -0.994 -9.458 13.192 1.00 0.00 N ATOM 225 CA GLY A 15 -1.826 -10.129 14.173 1.00 0.00 C ATOM 226 C GLY A 15 -1.150 -10.244 15.525 1.00 0.00 C ATOM 227 O GLY A 15 -1.223 -11.286 16.177 1.00 0.00 O ATOM 0 H GLY A 15 -0.272 -8.854 13.584 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -2.763 -9.584 14.284 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -2.078 -11.125 13.810 1.00 0.00 H new ATOM 231 N LEU A 16 -0.488 -9.173 15.947 1.00 0.00 N ATOM 232 CA LEU A 16 0.206 -9.158 17.230 1.00 0.00 C ATOM 233 C LEU A 16 -0.405 -8.122 18.168 1.00 0.00 C ATOM 234 O LEU A 16 0.247 -7.149 18.544 1.00 0.00 O ATOM 235 CB LEU A 16 1.693 -8.862 17.024 1.00 0.00 C ATOM 236 CG LEU A 16 2.583 -10.070 16.730 1.00 0.00 C ATOM 237 CD1 LEU A 16 2.519 -11.071 17.872 1.00 0.00 C ATOM 238 CD2 LEU A 16 2.175 -10.726 15.419 1.00 0.00 C ATOM 0 H LEU A 16 -0.417 -8.303 15.419 1.00 0.00 H new ATOM 0 HA LEU A 16 0.097 -10.142 17.686 1.00 0.00 H new ATOM 0 HB2 LEU A 16 1.791 -8.154 16.201 1.00 0.00 H new ATOM 0 HB3 LEU A 16 2.071 -8.366 17.918 1.00 0.00 H new ATOM 0 HG LEU A 16 3.612 -9.724 16.635 1.00 0.00 H new ATOM 0 HD11 LEU A 16 3.159 -11.924 17.645 1.00 0.00 H new ATOM 0 HD12 LEU A 16 2.861 -10.596 18.792 1.00 0.00 H new ATOM 0 HD13 LEU A 16 1.492 -11.412 18.000 1.00 0.00 H new ATOM 0 HD21 LEU A 16 2.819 -11.584 15.226 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.139 -11.058 15.485 1.00 0.00 H new ATOM 0 HD23 LEU A 16 2.275 -10.007 14.606 1.00 0.00 H new ATOM 250 N TRP A 17 -1.660 -8.340 18.544 1.00 0.00 N ATOM 251 CA TRP A 17 -2.359 -7.426 19.440 1.00 0.00 C ATOM 252 C TRP A 17 -1.611 -7.281 20.761 1.00 0.00 C ATOM 253 O TRP A 17 -1.799 -8.077 21.682 1.00 0.00 O ATOM 254 CB TRP A 17 -3.783 -7.922 19.698 1.00 0.00 C ATOM 255 CG TRP A 17 -4.732 -6.827 20.083 1.00 0.00 C ATOM 256 CD1 TRP A 17 -5.241 -6.583 21.326 1.00 0.00 C ATOM 257 CD2 TRP A 17 -5.287 -5.831 19.217 1.00 0.00 C ATOM 258 NE1 TRP A 17 -6.079 -5.495 21.286 1.00 0.00 N ATOM 259 CE2 TRP A 17 -6.124 -5.015 20.004 1.00 0.00 C ATOM 260 CE3 TRP A 17 -5.157 -5.547 17.855 1.00 0.00 C ATOM 261 CZ2 TRP A 17 -6.826 -3.937 19.471 1.00 0.00 C ATOM 262 CZ3 TRP A 17 -5.855 -4.478 17.328 1.00 0.00 C ATOM 263 CH2 TRP A 17 -6.680 -3.682 18.134 1.00 0.00 C ATOM 0 H TRP A 17 -2.214 -9.141 18.242 1.00 0.00 H new ATOM 0 HA TRP A 17 -2.404 -6.449 18.960 1.00 0.00 H new ATOM 0 HB2 TRP A 17 -4.156 -8.418 18.802 1.00 0.00 H new ATOM 0 HB3 TRP A 17 -3.762 -8.670 20.490 1.00 0.00 H new ATOM 0 HD1 TRP A 17 -5.018 -7.160 22.211 1.00 0.00 H new ATOM 0 HE1 TRP A 17 -6.586 -5.108 22.082 1.00 0.00 H new ATOM 0 HE3 TRP A 17 -4.522 -6.153 17.226 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 -7.463 -3.324 20.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 -5.763 -4.252 16.276 1.00 0.00 H new ATOM 0 HH2 TRP A 17 -7.211 -2.852 17.692 1.00 0.00 H new ATOM 274 N ASP A 18 -0.764 -6.262 20.847 1.00 0.00 N ATOM 275 CA ASP A 18 0.011 -6.012 22.057 1.00 0.00 C ATOM 276 C ASP A 18 0.679 -7.292 22.548 1.00 0.00 C ATOM 277 O ASP A 18 0.134 -8.006 23.389 1.00 0.00 O ATOM 278 CB ASP A 18 -0.886 -5.437 23.154 1.00 0.00 C ATOM 279 CG ASP A 18 -0.102 -5.008 24.378 1.00 0.00 C ATOM 280 OD1 ASP A 18 0.963 -4.378 24.210 1.00 0.00 O ATOM 281 OD2 ASP A 18 -0.553 -5.302 25.505 1.00 0.00 O ATOM 0 H ASP A 18 -0.596 -5.595 20.093 1.00 0.00 H new ATOM 0 HA ASP A 18 0.788 -5.286 21.817 1.00 0.00 H new ATOM 0 HB2 ASP A 18 -1.434 -4.582 22.759 1.00 0.00 H new ATOM 0 HB3 ASP A 18 -1.625 -6.184 23.443 1.00 0.00 H new ATOM 286 N PHE A 19 1.863 -7.577 22.016 1.00 0.00 N ATOM 287 CA PHE A 19 2.606 -8.773 22.398 1.00 0.00 C ATOM 288 C PHE A 19 4.079 -8.448 22.626 1.00 0.00 C ATOM 289 O PHE A 19 4.776 -8.001 21.715 1.00 0.00 O ATOM 290 CB PHE A 19 2.469 -9.850 21.320 1.00 0.00 C ATOM 291 CG PHE A 19 2.624 -11.248 21.847 1.00 0.00 C ATOM 292 CD1 PHE A 19 1.861 -11.687 22.918 1.00 0.00 C ATOM 293 CD2 PHE A 19 3.531 -12.123 21.272 1.00 0.00 C ATOM 294 CE1 PHE A 19 2.001 -12.973 23.405 1.00 0.00 C ATOM 295 CE2 PHE A 19 3.675 -13.410 21.755 1.00 0.00 C ATOM 296 CZ PHE A 19 2.909 -13.835 22.823 1.00 0.00 C ATOM 0 H PHE A 19 2.329 -6.996 21.319 1.00 0.00 H new ATOM 0 HA PHE A 19 2.187 -9.149 23.331 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.492 -9.755 20.845 1.00 0.00 H new ATOM 0 HB3 PHE A 19 3.218 -9.676 20.547 1.00 0.00 H new ATOM 0 HD1 PHE A 19 1.149 -11.017 23.377 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.132 -11.796 20.437 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.401 -13.303 24.240 1.00 0.00 H new ATOM 0 HE2 PHE A 19 4.386 -14.083 21.298 1.00 0.00 H new ATOM 0 HZ PHE A 19 3.020 -14.840 23.202 1.00 0.00 H new ATOM 306 N LYS A 20 4.548 -8.677 23.848 1.00 0.00 N ATOM 307 CA LYS A 20 5.938 -8.411 24.197 1.00 0.00 C ATOM 308 C LYS A 20 6.535 -9.577 24.979 1.00 0.00 C ATOM 309 O LYS A 20 6.303 -9.715 26.180 1.00 0.00 O ATOM 310 CB LYS A 20 6.041 -7.125 25.021 1.00 0.00 C ATOM 311 CG LYS A 20 5.207 -5.981 24.470 1.00 0.00 C ATOM 312 CD LYS A 20 5.707 -5.532 23.108 1.00 0.00 C ATOM 313 CE LYS A 20 6.696 -4.382 23.229 1.00 0.00 C ATOM 314 NZ LYS A 20 6.062 -3.164 23.804 1.00 0.00 N ATOM 0 H LYS A 20 3.985 -9.047 24.614 1.00 0.00 H new ATOM 0 HA LYS A 20 6.502 -8.289 23.272 1.00 0.00 H new ATOM 0 HB2 LYS A 20 5.727 -7.333 26.044 1.00 0.00 H new ATOM 0 HB3 LYS A 20 7.085 -6.814 25.065 1.00 0.00 H new ATOM 0 HG2 LYS A 20 4.166 -6.294 24.391 1.00 0.00 H new ATOM 0 HG3 LYS A 20 5.236 -5.141 25.164 1.00 0.00 H new ATOM 0 HD2 LYS A 20 6.183 -6.370 22.599 1.00 0.00 H new ATOM 0 HD3 LYS A 20 4.862 -5.223 22.492 1.00 0.00 H new ATOM 0 HE2 LYS A 20 7.533 -4.687 23.857 1.00 0.00 H new ATOM 0 HE3 LYS A 20 7.104 -4.149 22.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 6.566 -2.319 23.468 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 5.067 -3.116 23.504 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 6.109 -3.205 24.842 1.00 0.00 H new ATOM 328 N SER A 21 7.306 -10.412 24.290 1.00 0.00 N ATOM 329 CA SER A 21 7.935 -11.567 24.919 1.00 0.00 C ATOM 330 C SER A 21 9.430 -11.332 25.116 1.00 0.00 C ATOM 331 O SER A 21 9.991 -10.368 24.595 1.00 0.00 O ATOM 332 CB SER A 21 7.712 -12.821 24.071 1.00 0.00 C ATOM 333 OG SER A 21 6.388 -13.305 24.216 1.00 0.00 O ATOM 0 H SER A 21 7.510 -10.310 23.296 1.00 0.00 H new ATOM 0 HA SER A 21 7.476 -11.712 25.897 1.00 0.00 H new ATOM 0 HB2 SER A 21 7.907 -12.595 23.023 1.00 0.00 H new ATOM 0 HB3 SER A 21 8.420 -13.595 24.367 1.00 0.00 H new ATOM 0 HG SER A 21 5.904 -13.191 23.372 1.00 0.00 H new ATOM 339 N ARG A 22 10.068 -12.220 25.871 1.00 0.00 N ATOM 340 CA ARG A 22 11.497 -12.110 26.138 1.00 0.00 C ATOM 341 C ARG A 22 12.234 -13.366 25.683 1.00 0.00 C ATOM 342 O ARG A 22 13.237 -13.760 26.277 1.00 0.00 O ATOM 343 CB ARG A 22 11.741 -11.874 27.630 1.00 0.00 C ATOM 344 CG ARG A 22 10.929 -12.788 28.532 1.00 0.00 C ATOM 345 CD ARG A 22 11.492 -14.201 28.547 1.00 0.00 C ATOM 346 NE ARG A 22 11.062 -14.949 29.725 1.00 0.00 N ATOM 347 CZ ARG A 22 11.639 -16.074 30.132 1.00 0.00 C ATOM 348 NH1 ARG A 22 12.664 -16.578 29.459 1.00 0.00 N ATOM 349 NH2 ARG A 22 11.191 -16.698 31.215 1.00 0.00 N ATOM 0 H ARG A 22 9.618 -13.024 26.309 1.00 0.00 H new ATOM 0 HA ARG A 22 11.882 -11.260 25.574 1.00 0.00 H new ATOM 0 HB2 ARG A 22 12.801 -12.015 27.843 1.00 0.00 H new ATOM 0 HB3 ARG A 22 11.503 -10.837 27.869 1.00 0.00 H new ATOM 0 HG2 ARG A 22 10.922 -12.387 29.546 1.00 0.00 H new ATOM 0 HG3 ARG A 22 9.894 -12.811 28.191 1.00 0.00 H new ATOM 0 HD2 ARG A 22 11.174 -14.728 27.647 1.00 0.00 H new ATOM 0 HD3 ARG A 22 12.581 -14.158 28.523 1.00 0.00 H new ATOM 0 HE ARG A 22 10.276 -14.588 30.265 1.00 0.00 H new ATOM 0 HH11 ARG A 22 13.011 -16.102 28.627 1.00 0.00 H new ATOM 0 HH12 ARG A 22 13.105 -17.442 29.774 1.00 0.00 H new ATOM 0 HH21 ARG A 22 10.403 -16.314 31.736 1.00 0.00 H new ATOM 0 HH22 ARG A 22 11.635 -17.562 31.526 1.00 0.00 H new ATOM 363 N THR A 23 11.728 -13.991 24.624 1.00 0.00 N ATOM 364 CA THR A 23 12.337 -15.203 24.090 1.00 0.00 C ATOM 365 C THR A 23 12.385 -15.168 22.567 1.00 0.00 C ATOM 366 O THR A 23 11.546 -14.537 21.924 1.00 0.00 O ATOM 367 CB THR A 23 11.570 -16.461 24.539 1.00 0.00 C ATOM 368 OG1 THR A 23 10.160 -16.251 24.403 1.00 0.00 O ATOM 369 CG2 THR A 23 11.899 -16.808 25.983 1.00 0.00 C ATOM 0 H THR A 23 10.899 -13.678 24.120 1.00 0.00 H new ATOM 0 HA THR A 23 13.353 -15.246 24.482 1.00 0.00 H new ATOM 0 HB THR A 23 11.876 -17.292 23.903 1.00 0.00 H new ATOM 0 HG1 THR A 23 9.680 -17.056 24.689 1.00 0.00 H new ATOM 0 HG21 THR A 23 11.346 -17.700 26.278 1.00 0.00 H new ATOM 0 HG22 THR A 23 12.968 -16.997 26.077 1.00 0.00 H new ATOM 0 HG23 THR A 23 11.619 -15.977 26.630 1.00 0.00 H new ATOM 377 N ASP A 24 13.372 -15.850 21.995 1.00 0.00 N ATOM 378 CA ASP A 24 13.528 -15.899 20.546 1.00 0.00 C ATOM 379 C ASP A 24 12.367 -16.647 19.899 1.00 0.00 C ATOM 380 O ASP A 24 12.119 -16.509 18.702 1.00 0.00 O ATOM 381 CB ASP A 24 14.852 -16.570 20.177 1.00 0.00 C ATOM 382 CG ASP A 24 16.017 -16.039 20.990 1.00 0.00 C ATOM 383 OD1 ASP A 24 16.323 -14.833 20.872 1.00 0.00 O ATOM 384 OD2 ASP A 24 16.622 -16.828 21.745 1.00 0.00 O ATOM 0 H ASP A 24 14.076 -16.376 22.513 1.00 0.00 H new ATOM 0 HA ASP A 24 13.531 -14.876 20.171 1.00 0.00 H new ATOM 0 HB2 ASP A 24 14.766 -17.646 20.331 1.00 0.00 H new ATOM 0 HB3 ASP A 24 15.052 -16.414 19.117 1.00 0.00 H new ATOM 389 N GLU A 25 11.660 -17.439 20.699 1.00 0.00 N ATOM 390 CA GLU A 25 10.527 -18.210 20.202 1.00 0.00 C ATOM 391 C GLU A 25 9.285 -17.332 20.077 1.00 0.00 C ATOM 392 O GLU A 25 8.229 -17.793 19.645 1.00 0.00 O ATOM 393 CB GLU A 25 10.238 -19.391 21.132 1.00 0.00 C ATOM 394 CG GLU A 25 10.078 -18.993 22.589 1.00 0.00 C ATOM 395 CD GLU A 25 9.111 -19.892 23.336 1.00 0.00 C ATOM 396 OE1 GLU A 25 9.544 -20.960 23.817 1.00 0.00 O ATOM 397 OE2 GLU A 25 7.922 -19.526 23.440 1.00 0.00 O ATOM 0 H GLU A 25 11.852 -17.563 21.693 1.00 0.00 H new ATOM 0 HA GLU A 25 10.784 -18.590 19.213 1.00 0.00 H new ATOM 0 HB2 GLU A 25 9.329 -19.891 20.799 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.049 -20.115 21.049 1.00 0.00 H new ATOM 0 HG2 GLU A 25 11.051 -19.025 23.080 1.00 0.00 H new ATOM 0 HG3 GLU A 25 9.727 -17.963 22.644 1.00 0.00 H new ATOM 404 N GLU A 26 9.421 -16.066 20.458 1.00 0.00 N ATOM 405 CA GLU A 26 8.310 -15.124 20.389 1.00 0.00 C ATOM 406 C GLU A 26 8.790 -13.749 19.934 1.00 0.00 C ATOM 407 O GLU A 26 9.968 -13.414 20.068 1.00 0.00 O ATOM 408 CB GLU A 26 7.622 -15.012 21.751 1.00 0.00 C ATOM 409 CG GLU A 26 6.915 -16.286 22.182 1.00 0.00 C ATOM 410 CD GLU A 26 5.446 -16.294 21.806 1.00 0.00 C ATOM 411 OE1 GLU A 26 5.142 -16.155 20.602 1.00 0.00 O ATOM 412 OE2 GLU A 26 4.601 -16.438 22.714 1.00 0.00 O ATOM 0 H GLU A 26 10.289 -15.669 20.817 1.00 0.00 H new ATOM 0 HA GLU A 26 7.594 -15.499 19.658 1.00 0.00 H new ATOM 0 HB2 GLU A 26 8.365 -14.746 22.503 1.00 0.00 H new ATOM 0 HB3 GLU A 26 6.898 -14.198 21.717 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.408 -17.143 21.724 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.010 -16.403 23.262 1.00 0.00 H new ATOM 419 N LEU A 27 7.870 -12.956 19.397 1.00 0.00 N ATOM 420 CA LEU A 27 8.198 -11.616 18.922 1.00 0.00 C ATOM 421 C LEU A 27 7.955 -10.577 20.012 1.00 0.00 C ATOM 422 O LEU A 27 7.163 -10.797 20.928 1.00 0.00 O ATOM 423 CB LEU A 27 7.368 -11.276 17.683 1.00 0.00 C ATOM 424 CG LEU A 27 7.856 -11.874 16.363 1.00 0.00 C ATOM 425 CD1 LEU A 27 9.284 -11.439 16.075 1.00 0.00 C ATOM 426 CD2 LEU A 27 7.755 -13.392 16.396 1.00 0.00 C ATOM 0 H LEU A 27 6.891 -13.217 19.279 1.00 0.00 H new ATOM 0 HA LEU A 27 9.256 -11.599 18.659 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.344 -11.610 17.853 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.337 -10.192 17.578 1.00 0.00 H new ATOM 0 HG LEU A 27 7.217 -11.504 15.561 1.00 0.00 H new ATOM 0 HD11 LEU A 27 9.614 -11.874 15.132 1.00 0.00 H new ATOM 0 HD12 LEU A 27 9.327 -10.352 16.007 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.937 -11.778 16.879 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.106 -13.801 15.449 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.369 -13.780 17.209 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.717 -13.684 16.554 1.00 0.00 H new ATOM 438 N SER A 28 8.640 -9.443 19.905 1.00 0.00 N ATOM 439 CA SER A 28 8.500 -8.370 20.882 1.00 0.00 C ATOM 440 C SER A 28 8.160 -7.051 20.196 1.00 0.00 C ATOM 441 O SER A 28 9.033 -6.214 19.967 1.00 0.00 O ATOM 442 CB SER A 28 9.788 -8.219 21.693 1.00 0.00 C ATOM 443 OG SER A 28 10.902 -7.997 20.845 1.00 0.00 O ATOM 0 H SER A 28 9.298 -9.244 19.151 1.00 0.00 H new ATOM 0 HA SER A 28 7.683 -8.630 21.555 1.00 0.00 H new ATOM 0 HB2 SER A 28 9.687 -7.388 22.391 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.954 -9.117 22.289 1.00 0.00 H new ATOM 0 HG SER A 28 10.688 -7.288 20.203 1.00 0.00 H new ATOM 449 N PHE A 29 6.884 -6.872 19.869 1.00 0.00 N ATOM 450 CA PHE A 29 6.427 -5.656 19.207 1.00 0.00 C ATOM 451 C PHE A 29 4.923 -5.474 19.383 1.00 0.00 C ATOM 452 O PHE A 29 4.212 -6.408 19.754 1.00 0.00 O ATOM 453 CB PHE A 29 6.777 -5.698 17.718 1.00 0.00 C ATOM 454 CG PHE A 29 7.486 -4.466 17.234 1.00 0.00 C ATOM 455 CD1 PHE A 29 8.839 -4.290 17.475 1.00 0.00 C ATOM 456 CD2 PHE A 29 6.800 -3.484 16.538 1.00 0.00 C ATOM 457 CE1 PHE A 29 9.494 -3.157 17.031 1.00 0.00 C ATOM 458 CE2 PHE A 29 7.450 -2.349 16.091 1.00 0.00 C ATOM 459 CZ PHE A 29 8.799 -2.186 16.337 1.00 0.00 C ATOM 0 H PHE A 29 6.148 -7.554 20.052 1.00 0.00 H new ATOM 0 HA PHE A 29 6.934 -4.808 19.668 1.00 0.00 H new ATOM 0 HB2 PHE A 29 7.404 -6.568 17.525 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.862 -5.831 17.141 1.00 0.00 H new ATOM 0 HD1 PHE A 29 9.388 -5.047 18.016 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.745 -3.607 16.342 1.00 0.00 H new ATOM 0 HE1 PHE A 29 10.549 -3.031 17.227 1.00 0.00 H new ATOM 0 HE2 PHE A 29 6.904 -1.591 15.550 1.00 0.00 H new ATOM 0 HZ PHE A 29 9.310 -1.301 15.987 1.00 0.00 H new ATOM 469 N ARG A 30 4.444 -4.263 19.115 1.00 0.00 N ATOM 470 CA ARG A 30 3.025 -3.957 19.245 1.00 0.00 C ATOM 471 C ARG A 30 2.302 -4.156 17.916 1.00 0.00 C ATOM 472 O ARG A 30 2.885 -3.978 16.848 1.00 0.00 O ATOM 473 CB ARG A 30 2.834 -2.519 19.731 1.00 0.00 C ATOM 474 CG ARG A 30 3.116 -1.473 18.664 1.00 0.00 C ATOM 475 CD ARG A 30 2.997 -0.063 19.221 1.00 0.00 C ATOM 476 NE ARG A 30 1.718 0.153 19.893 1.00 0.00 N ATOM 477 CZ ARG A 30 1.387 1.291 20.493 1.00 0.00 C ATOM 478 NH1 ARG A 30 2.235 2.310 20.505 1.00 0.00 N ATOM 479 NH2 ARG A 30 0.204 1.411 21.083 1.00 0.00 N ATOM 0 H ARG A 30 5.018 -3.478 18.807 1.00 0.00 H new ATOM 0 HA ARG A 30 2.597 -4.641 19.978 1.00 0.00 H new ATOM 0 HB2 ARG A 30 1.811 -2.397 20.086 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.490 -2.342 20.583 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.118 -1.623 18.262 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.418 -1.599 17.836 1.00 0.00 H new ATOM 0 HD2 ARG A 30 3.811 0.120 19.923 1.00 0.00 H new ATOM 0 HD3 ARG A 30 3.107 0.658 18.411 1.00 0.00 H new ATOM 0 HE ARG A 30 1.043 -0.611 19.902 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.145 2.222 20.053 1.00 0.00 H new ATOM 0 HH12 ARG A 30 1.978 3.182 20.967 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.451 0.629 21.076 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.050 2.285 21.544 1.00 0.00 H new ATOM 493 N ALA A 31 1.028 -4.528 17.992 1.00 0.00 N ATOM 494 CA ALA A 31 0.225 -4.750 16.796 1.00 0.00 C ATOM 495 C ALA A 31 0.302 -3.555 15.852 1.00 0.00 C ATOM 496 O ALA A 31 0.719 -2.466 16.247 1.00 0.00 O ATOM 497 CB ALA A 31 -1.221 -5.032 17.176 1.00 0.00 C ATOM 0 H ALA A 31 0.530 -4.682 18.869 1.00 0.00 H new ATOM 0 HA ALA A 31 0.628 -5.618 16.274 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -1.809 -5.196 16.273 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -1.265 -5.922 17.804 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -1.626 -4.181 17.723 1.00 0.00 H new ATOM 503 N GLY A 32 -0.101 -3.765 14.603 1.00 0.00 N ATOM 504 CA GLY A 32 -0.068 -2.696 13.622 1.00 0.00 C ATOM 505 C GLY A 32 1.154 -2.767 12.728 1.00 0.00 C ATOM 506 O GLY A 32 1.136 -2.270 11.601 1.00 0.00 O ATOM 0 H GLY A 32 -0.450 -4.657 14.253 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -0.967 -2.743 13.008 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -0.083 -1.735 14.136 1.00 0.00 H new ATOM 510 N ASP A 33 2.218 -3.383 13.230 1.00 0.00 N ATOM 511 CA ASP A 33 3.454 -3.517 12.468 1.00 0.00 C ATOM 512 C ASP A 33 3.347 -4.650 11.453 1.00 0.00 C ATOM 513 O ASP A 33 2.598 -5.607 11.651 1.00 0.00 O ATOM 514 CB ASP A 33 4.633 -3.769 13.409 1.00 0.00 C ATOM 515 CG ASP A 33 5.377 -2.495 13.758 1.00 0.00 C ATOM 516 OD1 ASP A 33 4.840 -1.690 14.548 1.00 0.00 O ATOM 517 OD2 ASP A 33 6.498 -2.302 13.242 1.00 0.00 O ATOM 0 H ASP A 33 2.250 -3.798 14.161 1.00 0.00 H new ATOM 0 HA ASP A 33 3.622 -2.585 11.928 1.00 0.00 H new ATOM 0 HB2 ASP A 33 4.270 -4.237 14.324 1.00 0.00 H new ATOM 0 HB3 ASP A 33 5.322 -4.473 12.943 1.00 0.00 H new ATOM 522 N VAL A 34 4.100 -4.535 10.363 1.00 0.00 N ATOM 523 CA VAL A 34 4.090 -5.550 9.316 1.00 0.00 C ATOM 524 C VAL A 34 5.164 -6.604 9.562 1.00 0.00 C ATOM 525 O VAL A 34 6.283 -6.284 9.962 1.00 0.00 O ATOM 526 CB VAL A 34 4.309 -4.924 7.926 1.00 0.00 C ATOM 527 CG1 VAL A 34 3.114 -4.072 7.529 1.00 0.00 C ATOM 528 CG2 VAL A 34 5.590 -4.103 7.908 1.00 0.00 C ATOM 0 H VAL A 34 4.725 -3.749 10.182 1.00 0.00 H new ATOM 0 HA VAL A 34 3.108 -6.023 9.343 1.00 0.00 H new ATOM 0 HB VAL A 34 4.409 -5.728 7.196 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.288 -3.638 6.544 1.00 0.00 H new ATOM 0 HG12 VAL A 34 2.218 -4.693 7.500 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.978 -3.273 8.258 1.00 0.00 H new ATOM 0 HG21 VAL A 34 5.729 -3.668 6.918 1.00 0.00 H new ATOM 0 HG22 VAL A 34 5.522 -3.306 8.649 1.00 0.00 H new ATOM 0 HG23 VAL A 34 6.438 -4.746 8.144 1.00 0.00 H new ATOM 538 N PHE A 35 4.815 -7.863 9.320 1.00 0.00 N ATOM 539 CA PHE A 35 5.749 -8.966 9.516 1.00 0.00 C ATOM 540 C PHE A 35 5.753 -9.896 8.306 1.00 0.00 C ATOM 541 O PHE A 35 4.736 -10.062 7.633 1.00 0.00 O ATOM 542 CB PHE A 35 5.385 -9.753 10.777 1.00 0.00 C ATOM 543 CG PHE A 35 5.003 -8.880 11.938 1.00 0.00 C ATOM 544 CD1 PHE A 35 5.834 -7.852 12.352 1.00 0.00 C ATOM 545 CD2 PHE A 35 3.812 -9.089 12.616 1.00 0.00 C ATOM 546 CE1 PHE A 35 5.485 -7.047 13.421 1.00 0.00 C ATOM 547 CE2 PHE A 35 3.458 -8.287 13.684 1.00 0.00 C ATOM 548 CZ PHE A 35 4.295 -7.266 14.088 1.00 0.00 C ATOM 0 H PHE A 35 3.893 -8.145 8.988 1.00 0.00 H new ATOM 0 HA PHE A 35 6.748 -8.547 9.634 1.00 0.00 H new ATOM 0 HB2 PHE A 35 4.557 -10.425 10.550 1.00 0.00 H new ATOM 0 HB3 PHE A 35 6.232 -10.376 11.064 1.00 0.00 H new ATOM 0 HD1 PHE A 35 6.765 -7.677 11.834 1.00 0.00 H new ATOM 0 HD2 PHE A 35 3.154 -9.887 12.306 1.00 0.00 H new ATOM 0 HE1 PHE A 35 6.142 -6.249 13.734 1.00 0.00 H new ATOM 0 HE2 PHE A 35 2.526 -8.459 14.203 1.00 0.00 H new ATOM 0 HZ PHE A 35 4.020 -6.640 14.924 1.00 0.00 H new ATOM 558 N HIS A 36 6.906 -10.500 8.036 1.00 0.00 N ATOM 559 CA HIS A 36 7.044 -11.414 6.907 1.00 0.00 C ATOM 560 C HIS A 36 7.435 -12.810 7.383 1.00 0.00 C ATOM 561 O HIS A 36 8.295 -12.963 8.251 1.00 0.00 O ATOM 562 CB HIS A 36 8.088 -10.888 5.922 1.00 0.00 C ATOM 563 CG HIS A 36 8.212 -11.716 4.681 1.00 0.00 C ATOM 564 ND1 HIS A 36 7.283 -11.689 3.662 1.00 0.00 N ATOM 565 CD2 HIS A 36 9.164 -12.599 4.296 1.00 0.00 C ATOM 566 CE1 HIS A 36 7.657 -12.519 2.705 1.00 0.00 C ATOM 567 NE2 HIS A 36 8.796 -13.084 3.065 1.00 0.00 N ATOM 0 H HIS A 36 7.758 -10.373 8.583 1.00 0.00 H new ATOM 0 HA HIS A 36 6.080 -11.477 6.403 1.00 0.00 H new ATOM 0 HB2 HIS A 36 7.830 -9.867 5.643 1.00 0.00 H new ATOM 0 HB3 HIS A 36 9.057 -10.847 6.420 1.00 0.00 H new ATOM 0 HD2 HIS A 36 10.048 -12.871 4.853 1.00 0.00 H new ATOM 0 HE1 HIS A 36 7.123 -12.704 1.785 1.00 0.00 H new ATOM 0 HE2 HIS A 36 9.317 -13.769 2.518 1.00 0.00 H new ATOM 575 N VAL A 37 6.797 -13.826 6.810 1.00 0.00 N ATOM 576 CA VAL A 37 7.078 -15.209 7.176 1.00 0.00 C ATOM 577 C VAL A 37 8.217 -15.778 6.338 1.00 0.00 C ATOM 578 O VAL A 37 8.225 -15.651 5.114 1.00 0.00 O ATOM 579 CB VAL A 37 5.833 -16.099 7.002 1.00 0.00 C ATOM 580 CG1 VAL A 37 4.701 -15.614 7.894 1.00 0.00 C ATOM 581 CG2 VAL A 37 5.399 -16.130 5.544 1.00 0.00 C ATOM 0 H VAL A 37 6.082 -13.717 6.091 1.00 0.00 H new ATOM 0 HA VAL A 37 7.370 -15.206 8.226 1.00 0.00 H new ATOM 0 HB VAL A 37 6.090 -17.115 7.302 1.00 0.00 H new ATOM 0 HG11 VAL A 37 3.830 -16.255 7.757 1.00 0.00 H new ATOM 0 HG12 VAL A 37 5.018 -15.650 8.936 1.00 0.00 H new ATOM 0 HG13 VAL A 37 4.442 -14.589 7.629 1.00 0.00 H new ATOM 0 HG21 VAL A 37 4.518 -16.764 5.440 1.00 0.00 H new ATOM 0 HG22 VAL A 37 5.160 -15.119 5.214 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.208 -16.530 4.932 1.00 0.00 H new ATOM 591 N ALA A 38 9.179 -16.407 7.006 1.00 0.00 N ATOM 592 CA ALA A 38 10.323 -16.998 6.322 1.00 0.00 C ATOM 593 C ALA A 38 10.153 -18.507 6.174 1.00 0.00 C ATOM 594 O ALA A 38 10.613 -19.099 5.197 1.00 0.00 O ATOM 595 CB ALA A 38 11.608 -16.681 7.072 1.00 0.00 C ATOM 0 H ALA A 38 9.189 -16.520 8.020 1.00 0.00 H new ATOM 0 HA ALA A 38 10.382 -16.565 5.324 1.00 0.00 H new ATOM 0 HB1 ALA A 38 12.454 -17.128 6.550 1.00 0.00 H new ATOM 0 HB2 ALA A 38 11.743 -15.601 7.122 1.00 0.00 H new ATOM 0 HB3 ALA A 38 11.549 -17.087 8.082 1.00 0.00 H new ATOM 601 N ARG A 39 9.492 -19.122 7.149 1.00 0.00 N ATOM 602 CA ARG A 39 9.264 -20.562 7.127 1.00 0.00 C ATOM 603 C ARG A 39 7.982 -20.921 7.873 1.00 0.00 C ATOM 604 O ARG A 39 7.823 -20.593 9.049 1.00 0.00 O ATOM 605 CB ARG A 39 10.452 -21.297 7.749 1.00 0.00 C ATOM 606 CG ARG A 39 11.695 -21.299 6.873 1.00 0.00 C ATOM 607 CD ARG A 39 11.458 -22.051 5.573 1.00 0.00 C ATOM 608 NE ARG A 39 12.707 -22.511 4.971 1.00 0.00 N ATOM 609 CZ ARG A 39 13.411 -23.537 5.434 1.00 0.00 C ATOM 610 NH1 ARG A 39 12.991 -24.208 6.498 1.00 0.00 N ATOM 611 NH2 ARG A 39 14.538 -23.896 4.832 1.00 0.00 N ATOM 0 H ARG A 39 9.105 -18.646 7.964 1.00 0.00 H new ATOM 0 HA ARG A 39 9.158 -20.872 6.087 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.693 -20.835 8.706 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.163 -22.327 7.956 1.00 0.00 H new ATOM 0 HG2 ARG A 39 11.988 -20.272 6.653 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.522 -21.758 7.414 1.00 0.00 H new ATOM 0 HD2 ARG A 39 10.810 -22.907 5.762 1.00 0.00 H new ATOM 0 HD3 ARG A 39 10.934 -21.404 4.870 1.00 0.00 H new ATOM 0 HE ARG A 39 13.057 -22.017 4.150 1.00 0.00 H new ATOM 0 HH11 ARG A 39 12.125 -23.936 6.963 1.00 0.00 H new ATOM 0 HH12 ARG A 39 13.534 -24.996 6.851 1.00 0.00 H new ATOM 0 HH21 ARG A 39 14.864 -23.383 4.013 1.00 0.00 H new ATOM 0 HH22 ARG A 39 15.078 -24.684 5.189 1.00 0.00 H new ATOM 625 N LYS A 40 7.071 -21.596 7.181 1.00 0.00 N ATOM 626 CA LYS A 40 5.803 -22.001 7.776 1.00 0.00 C ATOM 627 C LYS A 40 5.791 -23.499 8.065 1.00 0.00 C ATOM 628 O LYS A 40 5.820 -24.317 7.146 1.00 0.00 O ATOM 629 CB LYS A 40 4.641 -21.641 6.847 1.00 0.00 C ATOM 630 CG LYS A 40 4.871 -22.046 5.401 1.00 0.00 C ATOM 631 CD LYS A 40 3.692 -21.665 4.522 1.00 0.00 C ATOM 632 CE LYS A 40 3.727 -20.190 4.151 1.00 0.00 C ATOM 633 NZ LYS A 40 4.809 -19.890 3.172 1.00 0.00 N ATOM 0 H LYS A 40 7.187 -21.874 6.207 1.00 0.00 H new ATOM 0 HA LYS A 40 5.686 -21.466 8.718 1.00 0.00 H new ATOM 0 HB2 LYS A 40 3.733 -22.123 7.211 1.00 0.00 H new ATOM 0 HB3 LYS A 40 4.471 -20.565 6.892 1.00 0.00 H new ATOM 0 HG2 LYS A 40 5.775 -21.566 5.027 1.00 0.00 H new ATOM 0 HG3 LYS A 40 5.035 -23.122 5.345 1.00 0.00 H new ATOM 0 HD2 LYS A 40 3.702 -22.270 3.615 1.00 0.00 H new ATOM 0 HD3 LYS A 40 2.761 -21.888 5.043 1.00 0.00 H new ATOM 0 HE2 LYS A 40 2.765 -19.899 3.730 1.00 0.00 H new ATOM 0 HE3 LYS A 40 3.875 -19.593 5.051 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 4.639 -18.959 2.741 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 5.727 -19.883 3.661 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 4.818 -20.619 2.430 1.00 0.00 H new ATOM 647 N GLU A 41 5.748 -23.850 9.346 1.00 0.00 N ATOM 648 CA GLU A 41 5.731 -25.250 9.754 1.00 0.00 C ATOM 649 C GLU A 41 4.300 -25.768 9.862 1.00 0.00 C ATOM 650 O GLU A 41 3.342 -25.008 9.724 1.00 0.00 O ATOM 651 CB GLU A 41 6.451 -25.422 11.093 1.00 0.00 C ATOM 652 CG GLU A 41 7.367 -26.634 11.140 1.00 0.00 C ATOM 653 CD GLU A 41 8.393 -26.633 10.024 1.00 0.00 C ATOM 654 OE1 GLU A 41 9.252 -25.727 10.009 1.00 0.00 O ATOM 655 OE2 GLU A 41 8.337 -27.539 9.166 1.00 0.00 O ATOM 0 H GLU A 41 5.724 -23.185 10.119 1.00 0.00 H new ATOM 0 HA GLU A 41 6.252 -25.831 8.993 1.00 0.00 H new ATOM 0 HB2 GLU A 41 7.037 -24.526 11.299 1.00 0.00 H new ATOM 0 HB3 GLU A 41 5.709 -25.507 11.887 1.00 0.00 H new ATOM 0 HG2 GLU A 41 7.881 -26.659 12.101 1.00 0.00 H new ATOM 0 HG3 GLU A 41 6.766 -27.541 11.076 1.00 0.00 H new ATOM 662 N GLU A 42 4.165 -27.067 10.110 1.00 0.00 N ATOM 663 CA GLU A 42 2.851 -27.688 10.236 1.00 0.00 C ATOM 664 C GLU A 42 2.191 -27.301 11.556 1.00 0.00 C ATOM 665 O GLU A 42 0.996 -27.518 11.750 1.00 0.00 O ATOM 666 CB GLU A 42 2.970 -29.210 10.139 1.00 0.00 C ATOM 667 CG GLU A 42 3.727 -29.837 11.298 1.00 0.00 C ATOM 668 CD GLU A 42 3.642 -31.351 11.299 1.00 0.00 C ATOM 669 OE1 GLU A 42 2.512 -31.882 11.278 1.00 0.00 O ATOM 670 OE2 GLU A 42 4.706 -32.004 11.322 1.00 0.00 O ATOM 0 H GLU A 42 4.948 -27.709 10.228 1.00 0.00 H new ATOM 0 HA GLU A 42 2.227 -27.327 9.418 1.00 0.00 H new ATOM 0 HB2 GLU A 42 1.970 -29.642 10.093 1.00 0.00 H new ATOM 0 HB3 GLU A 42 3.472 -29.468 9.206 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.773 -29.536 11.249 1.00 0.00 H new ATOM 0 HG3 GLU A 42 3.328 -29.454 12.237 1.00 0.00 H new ATOM 677 N GLN A 43 2.980 -26.729 12.460 1.00 0.00 N ATOM 678 CA GLN A 43 2.473 -26.314 13.763 1.00 0.00 C ATOM 679 C GLN A 43 2.637 -24.810 13.957 1.00 0.00 C ATOM 680 O GLN A 43 1.664 -24.058 13.902 1.00 0.00 O ATOM 681 CB GLN A 43 3.199 -27.066 14.880 1.00 0.00 C ATOM 682 CG GLN A 43 4.563 -27.597 14.469 1.00 0.00 C ATOM 683 CD GLN A 43 5.477 -27.836 15.655 1.00 0.00 C ATOM 684 OE1 GLN A 43 5.021 -28.186 16.744 1.00 0.00 O ATOM 685 NE2 GLN A 43 6.775 -27.649 15.449 1.00 0.00 N ATOM 0 H GLN A 43 3.972 -26.542 12.314 1.00 0.00 H new ATOM 0 HA GLN A 43 1.411 -26.554 13.804 1.00 0.00 H new ATOM 0 HB2 GLN A 43 3.320 -26.401 15.735 1.00 0.00 H new ATOM 0 HB3 GLN A 43 2.578 -27.899 15.209 1.00 0.00 H new ATOM 0 HG2 GLN A 43 4.435 -28.530 13.920 1.00 0.00 H new ATOM 0 HG3 GLN A 43 5.035 -26.888 13.788 1.00 0.00 H new ATOM 0 HE21 GLN A 43 7.109 -27.359 14.530 1.00 0.00 H new ATOM 0 HE22 GLN A 43 7.438 -27.796 16.210 1.00 0.00 H new ATOM 694 N TRP A 44 3.873 -24.379 14.183 1.00 0.00 N ATOM 695 CA TRP A 44 4.164 -22.965 14.386 1.00 0.00 C ATOM 696 C TRP A 44 4.768 -22.348 13.130 1.00 0.00 C ATOM 697 O TRP A 44 5.329 -23.052 12.290 1.00 0.00 O ATOM 698 CB TRP A 44 5.118 -22.783 15.568 1.00 0.00 C ATOM 699 CG TRP A 44 4.417 -22.710 16.891 1.00 0.00 C ATOM 700 CD1 TRP A 44 3.402 -23.514 17.326 1.00 0.00 C ATOM 701 CD2 TRP A 44 4.679 -21.782 17.949 1.00 0.00 C ATOM 702 NE1 TRP A 44 3.017 -23.141 18.591 1.00 0.00 N ATOM 703 CE2 TRP A 44 3.785 -22.081 18.996 1.00 0.00 C ATOM 704 CE3 TRP A 44 5.582 -20.728 18.115 1.00 0.00 C ATOM 705 CZ2 TRP A 44 3.770 -21.364 20.189 1.00 0.00 C ATOM 706 CZ3 TRP A 44 5.565 -20.017 19.299 1.00 0.00 C ATOM 707 CH2 TRP A 44 4.665 -20.337 20.324 1.00 0.00 C ATOM 0 H TRP A 44 4.689 -24.989 14.230 1.00 0.00 H new ATOM 0 HA TRP A 44 3.226 -22.455 14.604 1.00 0.00 H new ATOM 0 HB2 TRP A 44 5.826 -23.612 15.585 1.00 0.00 H new ATOM 0 HB3 TRP A 44 5.697 -21.872 15.421 1.00 0.00 H new ATOM 0 HD1 TRP A 44 2.966 -24.324 16.759 1.00 0.00 H new ATOM 0 HE1 TRP A 44 2.279 -23.582 19.140 1.00 0.00 H new ATOM 0 HE3 TRP A 44 6.281 -20.474 17.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 3.077 -21.609 20.980 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 6.258 -19.200 19.437 1.00 0.00 H new ATOM 0 HH2 TRP A 44 4.678 -19.762 21.238 1.00 0.00 H new ATOM 718 N TRP A 45 4.650 -21.031 13.007 1.00 0.00 N ATOM 719 CA TRP A 45 5.186 -20.320 11.852 1.00 0.00 C ATOM 720 C TRP A 45 6.345 -19.416 12.258 1.00 0.00 C ATOM 721 O TRP A 45 6.413 -18.953 13.397 1.00 0.00 O ATOM 722 CB TRP A 45 4.088 -19.492 11.182 1.00 0.00 C ATOM 723 CG TRP A 45 3.251 -20.281 10.223 1.00 0.00 C ATOM 724 CD1 TRP A 45 3.032 -21.629 10.243 1.00 0.00 C ATOM 725 CD2 TRP A 45 2.522 -19.771 9.101 1.00 0.00 C ATOM 726 NE1 TRP A 45 2.211 -21.987 9.201 1.00 0.00 N ATOM 727 CE2 TRP A 45 1.884 -20.866 8.486 1.00 0.00 C ATOM 728 CE3 TRP A 45 2.345 -18.496 8.557 1.00 0.00 C ATOM 729 CZ2 TRP A 45 1.084 -20.722 7.355 1.00 0.00 C ATOM 730 CZ3 TRP A 45 1.552 -18.355 7.434 1.00 0.00 C ATOM 731 CH2 TRP A 45 0.929 -19.462 6.843 1.00 0.00 C ATOM 0 H TRP A 45 4.188 -20.434 13.693 1.00 0.00 H new ATOM 0 HA TRP A 45 5.558 -21.059 11.143 1.00 0.00 H new ATOM 0 HB2 TRP A 45 3.443 -19.067 11.951 1.00 0.00 H new ATOM 0 HB3 TRP A 45 4.545 -18.657 10.652 1.00 0.00 H new ATOM 0 HD1 TRP A 45 3.444 -22.313 10.971 1.00 0.00 H new ATOM 0 HE1 TRP A 45 1.896 -22.935 8.994 1.00 0.00 H new ATOM 0 HE3 TRP A 45 2.820 -17.636 9.006 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 0.603 -21.574 6.898 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 1.410 -17.374 7.004 1.00 0.00 H new ATOM 0 HH2 TRP A 45 0.315 -19.318 5.966 1.00 0.00 H new ATOM 742 N TRP A 46 7.254 -19.170 11.321 1.00 0.00 N ATOM 743 CA TRP A 46 8.410 -18.320 11.583 1.00 0.00 C ATOM 744 C TRP A 46 8.161 -16.896 11.098 1.00 0.00 C ATOM 745 O TRP A 46 7.978 -16.661 9.905 1.00 0.00 O ATOM 746 CB TRP A 46 9.654 -18.894 10.903 1.00 0.00 C ATOM 747 CG TRP A 46 10.194 -20.115 11.583 1.00 0.00 C ATOM 748 CD1 TRP A 46 9.491 -21.009 12.340 1.00 0.00 C ATOM 749 CD2 TRP A 46 11.549 -20.576 11.570 1.00 0.00 C ATOM 750 NE1 TRP A 46 10.329 -21.998 12.798 1.00 0.00 N ATOM 751 CE2 TRP A 46 11.596 -21.755 12.339 1.00 0.00 C ATOM 752 CE3 TRP A 46 12.727 -20.108 10.981 1.00 0.00 C ATOM 753 CZ2 TRP A 46 12.776 -22.469 12.534 1.00 0.00 C ATOM 754 CZ3 TRP A 46 13.897 -20.818 11.176 1.00 0.00 C ATOM 755 CH2 TRP A 46 13.914 -21.988 11.946 1.00 0.00 C ATOM 0 H TRP A 46 7.213 -19.547 10.374 1.00 0.00 H new ATOM 0 HA TRP A 46 8.573 -18.292 12.660 1.00 0.00 H new ATOM 0 HB2 TRP A 46 9.413 -19.140 9.869 1.00 0.00 H new ATOM 0 HB3 TRP A 46 10.430 -18.129 10.876 1.00 0.00 H new ATOM 0 HD1 TRP A 46 8.433 -20.948 12.548 1.00 0.00 H new ATOM 0 HE1 TRP A 46 10.052 -22.785 13.385 1.00 0.00 H new ATOM 0 HE3 TRP A 46 12.723 -19.208 10.384 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 12.792 -23.371 13.128 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 14.813 -20.465 10.727 1.00 0.00 H new ATOM 0 HH2 TRP A 46 14.844 -22.521 12.078 1.00 0.00 H new ATOM 766 N ALA A 47 8.156 -15.950 12.032 1.00 0.00 N ATOM 767 CA ALA A 47 7.931 -14.549 11.698 1.00 0.00 C ATOM 768 C ALA A 47 9.219 -13.743 11.821 1.00 0.00 C ATOM 769 O ALA A 47 10.088 -14.059 12.634 1.00 0.00 O ATOM 770 CB ALA A 47 6.850 -13.960 12.592 1.00 0.00 C ATOM 0 H ALA A 47 8.305 -16.128 13.025 1.00 0.00 H new ATOM 0 HA ALA A 47 7.598 -14.497 10.662 1.00 0.00 H new ATOM 0 HB1 ALA A 47 6.693 -12.913 12.331 1.00 0.00 H new ATOM 0 HB2 ALA A 47 5.921 -14.513 12.452 1.00 0.00 H new ATOM 0 HB3 ALA A 47 7.161 -14.031 13.634 1.00 0.00 H new ATOM 776 N THR A 48 9.338 -12.698 11.007 1.00 0.00 N ATOM 777 CA THR A 48 10.521 -11.847 11.023 1.00 0.00 C ATOM 778 C THR A 48 10.140 -10.379 11.180 1.00 0.00 C ATOM 779 O THR A 48 9.332 -9.851 10.416 1.00 0.00 O ATOM 780 CB THR A 48 11.351 -12.015 9.736 1.00 0.00 C ATOM 781 OG1 THR A 48 11.640 -13.400 9.517 1.00 0.00 O ATOM 782 CG2 THR A 48 12.650 -11.229 9.824 1.00 0.00 C ATOM 0 H THR A 48 8.629 -12.421 10.328 1.00 0.00 H new ATOM 0 HA THR A 48 11.122 -12.157 11.878 1.00 0.00 H new ATOM 0 HB THR A 48 10.767 -11.629 8.900 1.00 0.00 H new ATOM 0 HG1 THR A 48 12.166 -13.499 8.696 1.00 0.00 H new ATOM 0 HG21 THR A 48 13.219 -11.363 8.904 1.00 0.00 H new ATOM 0 HG22 THR A 48 12.427 -10.171 9.962 1.00 0.00 H new ATOM 0 HG23 THR A 48 13.237 -11.589 10.669 1.00 0.00 H new ATOM 790 N LEU A 49 10.728 -9.724 12.176 1.00 0.00 N ATOM 791 CA LEU A 49 10.451 -8.316 12.434 1.00 0.00 C ATOM 792 C LEU A 49 11.242 -7.422 11.483 1.00 0.00 C ATOM 793 O LEU A 49 12.473 -7.405 11.511 1.00 0.00 O ATOM 794 CB LEU A 49 10.791 -7.965 13.883 1.00 0.00 C ATOM 795 CG LEU A 49 9.607 -7.620 14.786 1.00 0.00 C ATOM 796 CD1 LEU A 49 9.060 -6.242 14.446 1.00 0.00 C ATOM 797 CD2 LEU A 49 8.516 -8.674 14.663 1.00 0.00 C ATOM 0 H LEU A 49 11.399 -10.146 12.818 1.00 0.00 H new ATOM 0 HA LEU A 49 9.388 -8.144 12.266 1.00 0.00 H new ATOM 0 HB2 LEU A 49 11.325 -8.807 14.324 1.00 0.00 H new ATOM 0 HB3 LEU A 49 11.478 -7.119 13.879 1.00 0.00 H new ATOM 0 HG LEU A 49 9.955 -7.606 15.819 1.00 0.00 H new ATOM 0 HD11 LEU A 49 8.218 -6.014 15.099 1.00 0.00 H new ATOM 0 HD12 LEU A 49 9.841 -5.495 14.587 1.00 0.00 H new ATOM 0 HD13 LEU A 49 8.728 -6.228 13.408 1.00 0.00 H new ATOM 0 HD21 LEU A 49 7.681 -8.411 15.313 1.00 0.00 H new ATOM 0 HD22 LEU A 49 8.171 -8.721 13.630 1.00 0.00 H new ATOM 0 HD23 LEU A 49 8.914 -9.645 14.957 1.00 0.00 H new ATOM 809 N LEU A 50 10.527 -6.680 10.645 1.00 0.00 N ATOM 810 CA LEU A 50 11.162 -5.781 9.687 1.00 0.00 C ATOM 811 C LEU A 50 10.849 -4.325 10.016 1.00 0.00 C ATOM 812 O LEU A 50 9.860 -4.029 10.687 1.00 0.00 O ATOM 813 CB LEU A 50 10.696 -6.106 8.267 1.00 0.00 C ATOM 814 CG LEU A 50 10.161 -7.521 8.044 1.00 0.00 C ATOM 815 CD1 LEU A 50 9.649 -7.680 6.620 1.00 0.00 C ATOM 816 CD2 LEU A 50 11.239 -8.553 8.343 1.00 0.00 C ATOM 0 H LEU A 50 9.508 -6.683 10.609 1.00 0.00 H new ATOM 0 HA LEU A 50 12.241 -5.925 9.751 1.00 0.00 H new ATOM 0 HB2 LEU A 50 9.916 -5.396 7.991 1.00 0.00 H new ATOM 0 HB3 LEU A 50 11.531 -5.943 7.586 1.00 0.00 H new ATOM 0 HG LEU A 50 9.329 -7.686 8.728 1.00 0.00 H new ATOM 0 HD11 LEU A 50 9.272 -8.693 6.480 1.00 0.00 H new ATOM 0 HD12 LEU A 50 8.845 -6.966 6.440 1.00 0.00 H new ATOM 0 HD13 LEU A 50 10.462 -7.495 5.918 1.00 0.00 H new ATOM 0 HD21 LEU A 50 10.840 -9.554 8.179 1.00 0.00 H new ATOM 0 HD22 LEU A 50 12.092 -8.390 7.684 1.00 0.00 H new ATOM 0 HD23 LEU A 50 11.558 -8.455 9.381 1.00 0.00 H new ATOM 828 N ASP A 51 11.697 -3.421 9.539 1.00 0.00 N ATOM 829 CA ASP A 51 11.509 -1.995 9.780 1.00 0.00 C ATOM 830 C ASP A 51 10.369 -1.445 8.929 1.00 0.00 C ATOM 831 O ASP A 51 9.753 -2.176 8.153 1.00 0.00 O ATOM 832 CB ASP A 51 12.800 -1.231 9.479 1.00 0.00 C ATOM 833 CG ASP A 51 13.034 -0.086 10.445 1.00 0.00 C ATOM 834 OD1 ASP A 51 12.986 -0.324 11.670 1.00 0.00 O ATOM 835 OD2 ASP A 51 13.265 1.047 9.976 1.00 0.00 O ATOM 0 H ASP A 51 12.521 -3.650 8.983 1.00 0.00 H new ATOM 0 HA ASP A 51 11.252 -1.860 10.831 1.00 0.00 H new ATOM 0 HB2 ASP A 51 13.645 -1.919 9.524 1.00 0.00 H new ATOM 0 HB3 ASP A 51 12.760 -0.842 8.462 1.00 0.00 H new ATOM 840 N GLU A 52 10.093 -0.154 9.080 1.00 0.00 N ATOM 841 CA GLU A 52 9.025 0.492 8.326 1.00 0.00 C ATOM 842 C GLU A 52 9.264 0.364 6.825 1.00 0.00 C ATOM 843 O GLU A 52 8.320 0.299 6.038 1.00 0.00 O ATOM 844 CB GLU A 52 8.919 1.969 8.713 1.00 0.00 C ATOM 845 CG GLU A 52 10.211 2.744 8.518 1.00 0.00 C ATOM 846 CD GLU A 52 10.112 4.176 9.004 1.00 0.00 C ATOM 847 OE1 GLU A 52 9.950 4.377 10.226 1.00 0.00 O ATOM 848 OE2 GLU A 52 10.195 5.096 8.164 1.00 0.00 O ATOM 0 H GLU A 52 10.594 0.465 9.717 1.00 0.00 H new ATOM 0 HA GLU A 52 8.088 -0.009 8.571 1.00 0.00 H new ATOM 0 HB2 GLU A 52 8.132 2.436 8.120 1.00 0.00 H new ATOM 0 HB3 GLU A 52 8.616 2.041 9.758 1.00 0.00 H new ATOM 0 HG2 GLU A 52 11.017 2.239 9.050 1.00 0.00 H new ATOM 0 HG3 GLU A 52 10.476 2.741 7.461 1.00 0.00 H new ATOM 855 N ALA A 53 10.534 0.329 6.435 1.00 0.00 N ATOM 856 CA ALA A 53 10.899 0.207 5.029 1.00 0.00 C ATOM 857 C ALA A 53 10.786 -1.238 4.555 1.00 0.00 C ATOM 858 O ALA A 53 10.722 -1.505 3.356 1.00 0.00 O ATOM 859 CB ALA A 53 12.310 0.730 4.802 1.00 0.00 C ATOM 0 H ALA A 53 11.328 0.383 7.073 1.00 0.00 H new ATOM 0 HA ALA A 53 10.202 0.809 4.446 1.00 0.00 H new ATOM 0 HB1 ALA A 53 12.569 0.633 3.748 1.00 0.00 H new ATOM 0 HB2 ALA A 53 12.360 1.779 5.093 1.00 0.00 H new ATOM 0 HB3 ALA A 53 13.013 0.153 5.403 1.00 0.00 H new ATOM 865 N GLY A 54 10.762 -2.167 5.506 1.00 0.00 N ATOM 866 CA GLY A 54 10.658 -3.574 5.165 1.00 0.00 C ATOM 867 C GLY A 54 11.938 -4.335 5.446 1.00 0.00 C ATOM 868 O GLY A 54 11.966 -5.563 5.379 1.00 0.00 O ATOM 0 H GLY A 54 10.813 -1.971 6.506 1.00 0.00 H new ATOM 0 HA2 GLY A 54 9.841 -4.022 5.730 1.00 0.00 H new ATOM 0 HA3 GLY A 54 10.406 -3.671 4.109 1.00 0.00 H new ATOM 872 N GLY A 55 13.003 -3.604 5.761 1.00 0.00 N ATOM 873 CA GLY A 55 14.278 -4.235 6.046 1.00 0.00 C ATOM 874 C GLY A 55 14.238 -5.080 7.304 1.00 0.00 C ATOM 875 O GLY A 55 13.921 -4.583 8.384 1.00 0.00 O ATOM 0 H GLY A 55 13.005 -2.586 5.824 1.00 0.00 H new ATOM 0 HA2 GLY A 55 14.568 -4.860 5.201 1.00 0.00 H new ATOM 0 HA3 GLY A 55 15.044 -3.467 6.152 1.00 0.00 H new ATOM 879 N ALA A 56 14.559 -6.362 7.164 1.00 0.00 N ATOM 880 CA ALA A 56 14.559 -7.278 8.297 1.00 0.00 C ATOM 881 C ALA A 56 15.376 -6.718 9.456 1.00 0.00 C ATOM 882 O ALA A 56 16.317 -5.950 9.252 1.00 0.00 O ATOM 883 CB ALA A 56 15.098 -8.638 7.878 1.00 0.00 C ATOM 0 H ALA A 56 14.823 -6.790 6.276 1.00 0.00 H new ATOM 0 HA ALA A 56 13.530 -7.396 8.636 1.00 0.00 H new ATOM 0 HB1 ALA A 56 15.092 -9.312 8.735 1.00 0.00 H new ATOM 0 HB2 ALA A 56 14.471 -9.050 7.088 1.00 0.00 H new ATOM 0 HB3 ALA A 56 16.118 -8.528 7.511 1.00 0.00 H new ATOM 889 N VAL A 57 15.011 -7.106 10.674 1.00 0.00 N ATOM 890 CA VAL A 57 15.711 -6.642 11.866 1.00 0.00 C ATOM 891 C VAL A 57 15.764 -7.731 12.931 1.00 0.00 C ATOM 892 O VAL A 57 16.833 -8.251 13.250 1.00 0.00 O ATOM 893 CB VAL A 57 15.038 -5.390 12.461 1.00 0.00 C ATOM 894 CG1 VAL A 57 15.914 -4.775 13.541 1.00 0.00 C ATOM 895 CG2 VAL A 57 14.737 -4.377 11.366 1.00 0.00 C ATOM 0 H VAL A 57 14.235 -7.740 10.861 1.00 0.00 H new ATOM 0 HA VAL A 57 16.726 -6.389 11.558 1.00 0.00 H new ATOM 0 HB VAL A 57 14.095 -5.688 12.919 1.00 0.00 H new ATOM 0 HG11 VAL A 57 15.422 -3.892 13.949 1.00 0.00 H new ATOM 0 HG12 VAL A 57 16.074 -5.502 14.337 1.00 0.00 H new ATOM 0 HG13 VAL A 57 16.874 -4.489 13.112 1.00 0.00 H new ATOM 0 HG21 VAL A 57 14.262 -3.499 11.803 1.00 0.00 H new ATOM 0 HG22 VAL A 57 15.666 -4.082 10.878 1.00 0.00 H new ATOM 0 HG23 VAL A 57 14.067 -4.824 10.631 1.00 0.00 H new ATOM 905 N ALA A 58 14.602 -8.073 13.478 1.00 0.00 N ATOM 906 CA ALA A 58 14.515 -9.103 14.506 1.00 0.00 C ATOM 907 C ALA A 58 13.917 -10.389 13.946 1.00 0.00 C ATOM 908 O ALA A 58 13.285 -10.381 12.890 1.00 0.00 O ATOM 909 CB ALA A 58 13.690 -8.605 15.684 1.00 0.00 C ATOM 0 H ALA A 58 13.708 -7.652 13.226 1.00 0.00 H new ATOM 0 HA ALA A 58 15.525 -9.323 14.851 1.00 0.00 H new ATOM 0 HB1 ALA A 58 13.633 -9.384 16.444 1.00 0.00 H new ATOM 0 HB2 ALA A 58 14.160 -7.718 16.108 1.00 0.00 H new ATOM 0 HB3 ALA A 58 12.685 -8.356 15.345 1.00 0.00 H new ATOM 915 N GLN A 59 14.122 -11.492 14.659 1.00 0.00 N ATOM 916 CA GLN A 59 13.604 -12.785 14.231 1.00 0.00 C ATOM 917 C GLN A 59 12.927 -13.511 15.389 1.00 0.00 C ATOM 918 O GLN A 59 13.444 -13.538 16.505 1.00 0.00 O ATOM 919 CB GLN A 59 14.733 -13.648 13.663 1.00 0.00 C ATOM 920 CG GLN A 59 15.638 -12.904 12.694 1.00 0.00 C ATOM 921 CD GLN A 59 16.845 -12.291 13.376 1.00 0.00 C ATOM 922 OE1 GLN A 59 17.325 -12.800 14.389 1.00 0.00 O ATOM 923 NE2 GLN A 59 17.342 -11.190 12.823 1.00 0.00 N ATOM 0 H GLN A 59 14.643 -11.515 15.535 1.00 0.00 H new ATOM 0 HA GLN A 59 12.862 -12.611 13.452 1.00 0.00 H new ATOM 0 HB2 GLN A 59 15.334 -14.033 14.486 1.00 0.00 H new ATOM 0 HB3 GLN A 59 14.300 -14.510 13.155 1.00 0.00 H new ATOM 0 HG2 GLN A 59 15.974 -13.590 11.917 1.00 0.00 H new ATOM 0 HG3 GLN A 59 15.067 -12.118 12.200 1.00 0.00 H new ATOM 0 HE21 GLN A 59 16.912 -10.802 11.983 1.00 0.00 H new ATOM 0 HE22 GLN A 59 18.153 -10.732 13.238 1.00 0.00 H new ATOM 932 N GLY A 60 11.767 -14.100 15.115 1.00 0.00 N ATOM 933 CA GLY A 60 11.038 -14.817 16.144 1.00 0.00 C ATOM 934 C GLY A 60 10.081 -15.843 15.569 1.00 0.00 C ATOM 935 O GLY A 60 9.979 -15.992 14.351 1.00 0.00 O ATOM 0 H GLY A 60 11.319 -14.093 14.199 1.00 0.00 H new ATOM 0 HA2 GLY A 60 11.746 -15.316 16.806 1.00 0.00 H new ATOM 0 HA3 GLY A 60 10.480 -14.105 16.752 1.00 0.00 H new ATOM 939 N TYR A 61 9.379 -16.551 16.445 1.00 0.00 N ATOM 940 CA TYR A 61 8.428 -17.571 16.018 1.00 0.00 C ATOM 941 C TYR A 61 7.027 -17.261 16.536 1.00 0.00 C ATOM 942 O TYR A 61 6.855 -16.826 17.674 1.00 0.00 O ATOM 943 CB TYR A 61 8.872 -18.950 16.509 1.00 0.00 C ATOM 944 CG TYR A 61 10.290 -19.304 16.120 1.00 0.00 C ATOM 945 CD1 TYR A 61 10.780 -19.003 14.856 1.00 0.00 C ATOM 946 CD2 TYR A 61 11.139 -19.938 17.019 1.00 0.00 C ATOM 947 CE1 TYR A 61 12.074 -19.326 14.496 1.00 0.00 C ATOM 948 CE2 TYR A 61 12.436 -20.263 16.668 1.00 0.00 C ATOM 949 CZ TYR A 61 12.898 -19.955 15.406 1.00 0.00 C ATOM 950 OH TYR A 61 14.189 -20.276 15.052 1.00 0.00 O ATOM 0 H TYR A 61 9.450 -16.438 17.456 1.00 0.00 H new ATOM 0 HA TYR A 61 8.401 -17.572 14.928 1.00 0.00 H new ATOM 0 HB2 TYR A 61 8.782 -18.986 17.595 1.00 0.00 H new ATOM 0 HB3 TYR A 61 8.195 -19.704 16.108 1.00 0.00 H new ATOM 0 HD1 TYR A 61 10.138 -18.508 14.142 1.00 0.00 H new ATOM 0 HD2 TYR A 61 10.780 -20.181 18.008 1.00 0.00 H new ATOM 0 HE1 TYR A 61 12.438 -19.087 13.508 1.00 0.00 H new ATOM 0 HE2 TYR A 61 13.084 -20.755 17.378 1.00 0.00 H new ATOM 0 HH TYR A 61 14.183 -20.769 14.205 1.00 0.00 H new ATOM 960 N VAL A 62 6.027 -17.490 15.690 1.00 0.00 N ATOM 961 CA VAL A 62 4.640 -17.238 16.061 1.00 0.00 C ATOM 962 C VAL A 62 3.689 -18.137 15.278 1.00 0.00 C ATOM 963 O VAL A 62 3.833 -18.332 14.071 1.00 0.00 O ATOM 964 CB VAL A 62 4.253 -15.766 15.820 1.00 0.00 C ATOM 965 CG1 VAL A 62 4.482 -15.386 14.365 1.00 0.00 C ATOM 966 CG2 VAL A 62 2.806 -15.523 16.222 1.00 0.00 C ATOM 0 H VAL A 62 6.152 -17.849 14.744 1.00 0.00 H new ATOM 0 HA VAL A 62 4.552 -17.460 17.125 1.00 0.00 H new ATOM 0 HB VAL A 62 4.889 -15.134 16.440 1.00 0.00 H new ATOM 0 HG11 VAL A 62 4.203 -14.343 14.213 1.00 0.00 H new ATOM 0 HG12 VAL A 62 5.534 -15.521 14.115 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.873 -16.022 13.723 1.00 0.00 H new ATOM 0 HG21 VAL A 62 2.550 -14.478 16.045 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.152 -16.162 15.630 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.679 -15.754 17.280 1.00 0.00 H new ATOM 976 N PRO A 63 2.693 -18.698 15.980 1.00 0.00 N ATOM 977 CA PRO A 63 1.698 -19.585 15.370 1.00 0.00 C ATOM 978 C PRO A 63 0.751 -18.840 14.436 1.00 0.00 C ATOM 979 O PRO A 63 0.494 -17.649 14.618 1.00 0.00 O ATOM 980 CB PRO A 63 0.934 -20.141 16.575 1.00 0.00 C ATOM 981 CG PRO A 63 1.101 -19.111 17.637 1.00 0.00 C ATOM 982 CD PRO A 63 2.462 -18.510 17.422 1.00 0.00 C ATOM 0 HA PRO A 63 2.161 -20.352 14.750 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -0.118 -20.299 16.338 1.00 0.00 H new ATOM 0 HB3 PRO A 63 1.337 -21.103 16.890 1.00 0.00 H new ATOM 0 HG2 PRO A 63 0.323 -18.350 17.568 1.00 0.00 H new ATOM 0 HG3 PRO A 63 1.024 -19.557 18.629 1.00 0.00 H new ATOM 0 HD2 PRO A 63 2.484 -17.456 17.699 1.00 0.00 H new ATOM 0 HD3 PRO A 63 3.222 -19.013 18.020 1.00 0.00 H new ATOM 990 N HIS A 64 0.234 -19.547 13.437 1.00 0.00 N ATOM 991 CA HIS A 64 -0.686 -18.952 12.474 1.00 0.00 C ATOM 992 C HIS A 64 -1.967 -18.489 13.162 1.00 0.00 C ATOM 993 O HIS A 64 -2.706 -17.664 12.628 1.00 0.00 O ATOM 994 CB HIS A 64 -1.020 -19.954 11.369 1.00 0.00 C ATOM 995 CG HIS A 64 -1.997 -19.430 10.362 1.00 0.00 C ATOM 996 ND1 HIS A 64 -1.751 -18.321 9.581 1.00 0.00 N ATOM 997 CD2 HIS A 64 -3.226 -19.872 10.008 1.00 0.00 C ATOM 998 CE1 HIS A 64 -2.788 -18.102 8.792 1.00 0.00 C ATOM 999 NE2 HIS A 64 -3.697 -19.030 9.031 1.00 0.00 N ATOM 0 H HIS A 64 0.436 -20.533 13.273 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.198 -18.084 12.031 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -0.100 -20.238 10.857 1.00 0.00 H new ATOM 0 HB3 HIS A 64 -1.426 -20.859 11.821 1.00 0.00 H new ATOM 0 HD2 HIS A 64 -3.741 -20.728 10.418 1.00 0.00 H new ATOM 0 HE1 HIS A 64 -2.877 -17.300 8.074 1.00 0.00 H new ATOM 0 HE2 HIS A 64 -4.601 -19.108 8.566 1.00 0.00 H new ATOM 1007 N ASN A 65 -2.222 -19.027 14.350 1.00 0.00 N ATOM 1008 CA ASN A 65 -3.415 -18.671 15.110 1.00 0.00 C ATOM 1009 C ASN A 65 -3.291 -17.264 15.689 1.00 0.00 C ATOM 1010 O ASN A 65 -4.290 -16.634 16.037 1.00 0.00 O ATOM 1011 CB ASN A 65 -3.647 -19.679 16.238 1.00 0.00 C ATOM 1012 CG ASN A 65 -5.100 -19.740 16.668 1.00 0.00 C ATOM 1013 OD1 ASN A 65 -5.447 -19.338 17.779 1.00 0.00 O ATOM 1014 ND2 ASN A 65 -5.957 -20.244 15.789 1.00 0.00 N ATOM 0 H ASN A 65 -1.619 -19.711 14.807 1.00 0.00 H new ATOM 0 HA ASN A 65 -4.267 -18.693 14.431 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -3.326 -20.668 15.910 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -3.028 -19.411 17.094 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -6.948 -20.310 16.023 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -5.625 -20.565 14.880 1.00 0.00 H new ATOM 1021 N TYR A 66 -2.058 -16.778 15.788 1.00 0.00 N ATOM 1022 CA TYR A 66 -1.803 -15.447 16.326 1.00 0.00 C ATOM 1023 C TYR A 66 -1.761 -14.407 15.210 1.00 0.00 C ATOM 1024 O TYR A 66 -2.429 -13.375 15.281 1.00 0.00 O ATOM 1025 CB TYR A 66 -0.485 -15.432 17.102 1.00 0.00 C ATOM 1026 CG TYR A 66 -0.554 -14.655 18.397 1.00 0.00 C ATOM 1027 CD1 TYR A 66 -1.073 -15.231 19.549 1.00 0.00 C ATOM 1028 CD2 TYR A 66 -0.098 -13.344 18.468 1.00 0.00 C ATOM 1029 CE1 TYR A 66 -1.139 -14.524 20.734 1.00 0.00 C ATOM 1030 CE2 TYR A 66 -0.158 -12.630 19.649 1.00 0.00 C ATOM 1031 CZ TYR A 66 -0.679 -13.224 20.779 1.00 0.00 C ATOM 1032 OH TYR A 66 -0.742 -12.518 21.958 1.00 0.00 O ATOM 0 H TYR A 66 -1.220 -17.286 15.503 1.00 0.00 H new ATOM 0 HA TYR A 66 -2.619 -15.194 17.003 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -0.189 -16.458 17.319 1.00 0.00 H new ATOM 0 HB3 TYR A 66 0.293 -15.003 16.471 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -1.431 -16.249 19.518 1.00 0.00 H new ATOM 0 HD2 TYR A 66 0.310 -12.875 17.585 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -1.548 -14.986 21.620 1.00 0.00 H new ATOM 0 HE2 TYR A 66 0.201 -11.612 19.687 1.00 0.00 H new ATOM 0 HH TYR A 66 0.071 -12.681 22.481 1.00 0.00 H new ATOM 1042 N LEU A 67 -0.972 -14.688 14.178 1.00 0.00 N ATOM 1043 CA LEU A 67 -0.842 -13.779 13.045 1.00 0.00 C ATOM 1044 C LEU A 67 -1.841 -14.131 11.947 1.00 0.00 C ATOM 1045 O LEU A 67 -2.134 -15.303 11.714 1.00 0.00 O ATOM 1046 CB LEU A 67 0.582 -13.826 12.489 1.00 0.00 C ATOM 1047 CG LEU A 67 1.423 -12.565 12.690 1.00 0.00 C ATOM 1048 CD1 LEU A 67 2.813 -12.924 13.193 1.00 0.00 C ATOM 1049 CD2 LEU A 67 1.512 -11.770 11.395 1.00 0.00 C ATOM 0 H LEU A 67 -0.413 -15.538 14.103 1.00 0.00 H new ATOM 0 HA LEU A 67 -1.056 -12.769 13.395 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.104 -14.664 12.951 1.00 0.00 H new ATOM 0 HB3 LEU A 67 0.527 -14.035 11.421 1.00 0.00 H new ATOM 0 HG LEU A 67 0.936 -11.944 13.442 1.00 0.00 H new ATOM 0 HD11 LEU A 67 3.397 -12.014 13.330 1.00 0.00 H new ATOM 0 HD12 LEU A 67 2.731 -13.449 14.145 1.00 0.00 H new ATOM 0 HD13 LEU A 67 3.309 -13.567 12.465 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.114 -10.876 11.557 1.00 0.00 H new ATOM 0 HD22 LEU A 67 1.975 -12.384 10.622 1.00 0.00 H new ATOM 0 HD23 LEU A 67 0.511 -11.480 11.077 1.00 0.00 H new ATOM 1061 N ALA A 68 -2.357 -13.108 11.274 1.00 0.00 N ATOM 1062 CA ALA A 68 -3.319 -13.309 10.198 1.00 0.00 C ATOM 1063 C ALA A 68 -2.942 -12.495 8.965 1.00 0.00 C ATOM 1064 O ALA A 68 -2.438 -11.378 9.079 1.00 0.00 O ATOM 1065 CB ALA A 68 -4.720 -12.944 10.666 1.00 0.00 C ATOM 0 H ALA A 68 -2.125 -12.131 11.455 1.00 0.00 H new ATOM 0 HA ALA A 68 -3.303 -14.364 9.923 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -5.428 -13.099 9.852 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -4.997 -13.573 11.512 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -4.741 -11.898 10.970 1.00 0.00 H new ATOM 1071 N GLU A 69 -3.190 -13.061 7.788 1.00 0.00 N ATOM 1072 CA GLU A 69 -2.875 -12.386 6.535 1.00 0.00 C ATOM 1073 C GLU A 69 -3.679 -11.097 6.393 1.00 0.00 C ATOM 1074 O GLU A 69 -4.756 -10.959 6.973 1.00 0.00 O ATOM 1075 CB GLU A 69 -3.158 -13.309 5.347 1.00 0.00 C ATOM 1076 CG GLU A 69 -4.638 -13.493 5.059 1.00 0.00 C ATOM 1077 CD GLU A 69 -4.898 -14.528 3.981 1.00 0.00 C ATOM 1078 OE1 GLU A 69 -4.084 -14.622 3.039 1.00 0.00 O ATOM 1079 OE2 GLU A 69 -5.917 -15.244 4.080 1.00 0.00 O ATOM 0 H GLU A 69 -3.608 -13.985 7.676 1.00 0.00 H new ATOM 0 HA GLU A 69 -1.815 -12.133 6.546 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.671 -12.905 4.459 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.710 -14.284 5.540 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.148 -13.792 5.975 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -5.066 -12.539 4.752 1.00 0.00 H new ATOM 1086 N ARG A 70 -3.146 -10.156 5.620 1.00 0.00 N ATOM 1087 CA ARG A 70 -3.813 -8.878 5.404 1.00 0.00 C ATOM 1088 C ARG A 70 -3.967 -8.590 3.914 1.00 0.00 C ATOM 1089 O ARG A 70 -4.017 -7.433 3.497 1.00 0.00 O ATOM 1090 CB ARG A 70 -3.026 -7.749 6.074 1.00 0.00 C ATOM 1091 CG ARG A 70 -3.274 -7.638 7.569 1.00 0.00 C ATOM 1092 CD ARG A 70 -4.507 -6.802 7.869 1.00 0.00 C ATOM 1093 NE ARG A 70 -5.725 -7.608 7.886 1.00 0.00 N ATOM 1094 CZ ARG A 70 -6.948 -7.093 7.843 1.00 0.00 C ATOM 1095 NH1 ARG A 70 -7.116 -5.779 7.781 1.00 0.00 N ATOM 1096 NH2 ARG A 70 -8.007 -7.892 7.862 1.00 0.00 N ATOM 0 H ARG A 70 -2.255 -10.255 5.133 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.806 -8.935 5.850 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -1.961 -7.908 5.902 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.288 -6.803 5.600 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -3.397 -8.634 7.993 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -2.404 -7.191 8.051 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -4.385 -6.310 8.834 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -4.603 -6.016 7.120 1.00 0.00 H new ATOM 0 HE ARG A 70 -5.631 -8.623 7.934 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -6.304 -5.161 7.766 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.057 -5.386 7.748 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.882 -8.903 7.910 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.946 -7.495 7.829 1.00 0.00 H new