USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 416 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 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 LYS NZ :NH3+ 170:sc= 0 (180deg=-0.0765) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 GLN :FLIP amide:sc= -0.18 F(o=-1.1,f=-0.18) USER MOD Single : A 29 THR OG1 : rot 69:sc= 1.18 USER MOD Single : A 34 LYS NZ :NH3+ 159:sc= -0.065 (180deg=-0.502) USER MOD Single : A 39 ASN : amide:sc= -0.363 X(o=-0.36,f=-0.25) USER MOD Single : A 40 MET CE :methyl -171:sc=-0.00386 (180deg=-0.153) USER MOD Single : A 41 TYR OH : rot 180:sc= 0.243 USER MOD Single : A 43 THR OG1 : rot 180:sc= 0.108 USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.137 K(o=-0.14,f=-1) USER MOD Single : A 57 THR OG1 : rot 113:sc= 0.168 USER MOD Single : A 60 GLN : amide:sc= -0.493 K(o=-0.49,f=-3.5!) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 GLN : amide:sc= -1.2 K(o=-1.2,f=-1.7) USER MOD Single : A 67 ASN : amide:sc= -0.14 K(o=-0.14,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 155 N THR A 25 3.903 -1.315 -8.970 1.00 0.00 N ATOM 156 CA THR A 25 3.509 -1.271 -10.368 1.00 0.00 C ATOM 157 C THR A 25 2.052 -0.825 -10.489 1.00 0.00 C ATOM 158 O THR A 25 1.275 -0.953 -9.537 1.00 0.00 O ATOM 159 CB THR A 25 3.710 -2.647 -11.048 1.00 0.00 C ATOM 160 OG1 THR A 25 3.530 -2.544 -12.464 1.00 0.00 O ATOM 161 CG2 THR A 25 2.745 -3.684 -10.494 1.00 0.00 C ATOM 0 HA THR A 25 4.145 -0.548 -10.879 1.00 0.00 H new ATOM 0 HB THR A 25 4.730 -2.967 -10.835 1.00 0.00 H new ATOM 0 HG1 THR A 25 3.663 -3.423 -12.875 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.912 -4.639 -10.992 1.00 0.00 H new ATOM 0 HG22 THR A 25 2.911 -3.800 -9.423 1.00 0.00 H new ATOM 0 HG23 THR A 25 1.720 -3.358 -10.669 1.00 0.00 H new ATOM 169 N LYS A 26 1.688 -0.300 -11.654 1.00 0.00 N ATOM 170 CA LYS A 26 0.330 0.171 -11.889 1.00 0.00 C ATOM 171 C LYS A 26 -0.668 -0.966 -11.709 1.00 0.00 C ATOM 172 O LYS A 26 -1.771 -0.751 -11.213 1.00 0.00 O ATOM 173 CB LYS A 26 0.194 0.787 -13.285 1.00 0.00 C ATOM 174 CG LYS A 26 -1.145 1.472 -13.523 1.00 0.00 C ATOM 175 CD LYS A 26 -1.525 2.392 -12.371 1.00 0.00 C ATOM 176 CE LYS A 26 -0.612 3.609 -12.286 1.00 0.00 C ATOM 177 NZ LYS A 26 -0.835 4.550 -13.415 1.00 0.00 N ATOM 0 H LYS A 26 2.316 -0.190 -12.450 1.00 0.00 H new ATOM 0 HA LYS A 26 0.111 0.947 -11.155 1.00 0.00 H new ATOM 0 HB2 LYS A 26 0.994 1.512 -13.432 1.00 0.00 H new ATOM 0 HB3 LYS A 26 0.330 0.005 -14.032 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -1.099 2.048 -14.447 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -1.920 0.717 -13.656 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -2.557 2.721 -12.495 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -1.478 1.838 -11.434 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -0.784 4.127 -11.342 1.00 0.00 H new ATOM 0 HE3 LYS A 26 0.428 3.283 -12.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -0.323 5.437 -13.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -0.487 4.123 -14.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -1.852 4.749 -13.505 1.00 0.00 H new ATOM 191 N TYR A 27 -0.271 -2.175 -12.097 1.00 0.00 N ATOM 192 CA TYR A 27 -1.130 -3.346 -11.948 1.00 0.00 C ATOM 193 C TYR A 27 -1.533 -3.508 -10.489 1.00 0.00 C ATOM 194 O TYR A 27 -2.708 -3.707 -10.171 1.00 0.00 O ATOM 195 CB TYR A 27 -0.408 -4.605 -12.435 1.00 0.00 C ATOM 196 CG TYR A 27 -1.277 -5.842 -12.445 1.00 0.00 C ATOM 197 CD1 TYR A 27 -2.417 -5.911 -13.239 1.00 0.00 C ATOM 198 CD2 TYR A 27 -0.956 -6.942 -11.661 1.00 0.00 C ATOM 199 CE1 TYR A 27 -3.211 -7.040 -13.245 1.00 0.00 C ATOM 200 CE2 TYR A 27 -1.744 -8.074 -11.664 1.00 0.00 C ATOM 201 CZ TYR A 27 -2.870 -8.119 -12.457 1.00 0.00 C ATOM 202 OH TYR A 27 -3.660 -9.248 -12.462 1.00 0.00 O ATOM 0 H TYR A 27 0.638 -2.369 -12.516 1.00 0.00 H new ATOM 0 HA TYR A 27 -2.025 -3.203 -12.554 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -0.031 -4.429 -13.442 1.00 0.00 H new ATOM 0 HB3 TYR A 27 0.458 -4.786 -11.798 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -2.685 -5.069 -13.860 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -0.074 -6.911 -11.038 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -4.095 -7.078 -13.864 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -1.480 -8.921 -11.048 1.00 0.00 H new ATOM 0 HH TYR A 27 -3.280 -9.916 -11.854 1.00 0.00 H new ATOM 212 N GLN A 28 -0.549 -3.393 -9.605 1.00 0.00 N ATOM 213 CA GLN A 28 -0.794 -3.507 -8.177 1.00 0.00 C ATOM 214 C GLN A 28 -1.579 -2.294 -7.698 1.00 0.00 C ATOM 215 O GLN A 28 -2.460 -2.407 -6.848 1.00 0.00 O ATOM 216 CB GLN A 28 0.527 -3.612 -7.409 1.00 0.00 C ATOM 217 CG GLN A 28 0.388 -4.289 -6.056 1.00 0.00 C ATOM 218 CD GLN A 28 0.143 -5.781 -6.176 1.00 0.00 C ATOM 219 OE1 GLN A 28 -1.116 -6.170 -6.292 1.00 0.00 O flip ATOM 220 NE2 GLN A 28 1.078 -6.580 -6.165 1.00 0.00 N flip ATOM 0 H GLN A 28 0.425 -3.221 -9.854 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.372 -4.412 -7.990 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.246 -4.167 -8.012 1.00 0.00 H new ATOM 0 HB3 GLN A 28 0.936 -2.612 -7.266 1.00 0.00 H new ATOM 0 HG2 GLN A 28 1.293 -4.118 -5.473 1.00 0.00 H new ATOM 0 HG3 GLN A 28 -0.435 -3.832 -5.507 1.00 0.00 H new ATOM 0 HE21 GLN A 28 2.036 -6.242 -6.074 1.00 0.00 H new ATOM 0 HE22 GLN A 28 0.895 -7.580 -6.247 1.00 0.00 H new ATOM 229 N THR A 29 -1.257 -1.139 -8.269 1.00 0.00 N ATOM 230 CA THR A 29 -1.918 0.111 -7.918 1.00 0.00 C ATOM 231 C THR A 29 -3.412 0.050 -8.224 1.00 0.00 C ATOM 232 O THR A 29 -4.238 0.354 -7.368 1.00 0.00 O ATOM 233 CB THR A 29 -1.302 1.307 -8.680 1.00 0.00 C ATOM 234 OG1 THR A 29 0.125 1.301 -8.551 1.00 0.00 O ATOM 235 CG2 THR A 29 -1.851 2.626 -8.157 1.00 0.00 C ATOM 0 H THR A 29 -0.535 -1.043 -8.983 1.00 0.00 H new ATOM 0 HA THR A 29 -1.773 0.254 -6.847 1.00 0.00 H new ATOM 0 HB THR A 29 -1.571 1.206 -9.732 1.00 0.00 H new ATOM 0 HG1 THR A 29 0.495 0.540 -9.045 1.00 0.00 H new ATOM 0 HG21 THR A 29 -1.402 3.452 -8.709 1.00 0.00 H new ATOM 0 HG22 THR A 29 -2.933 2.647 -8.288 1.00 0.00 H new ATOM 0 HG23 THR A 29 -1.612 2.725 -7.098 1.00 0.00 H new ATOM 243 N LEU A 30 -3.746 -0.367 -9.437 1.00 0.00 N ATOM 244 CA LEU A 30 -5.135 -0.450 -9.866 1.00 0.00 C ATOM 245 C LEU A 30 -5.949 -1.364 -8.964 1.00 0.00 C ATOM 246 O LEU A 30 -7.009 -0.974 -8.481 1.00 0.00 O ATOM 247 CB LEU A 30 -5.226 -0.943 -11.313 1.00 0.00 C ATOM 248 CG LEU A 30 -4.584 -0.032 -12.358 1.00 0.00 C ATOM 249 CD1 LEU A 30 -4.731 -0.632 -13.745 1.00 0.00 C ATOM 250 CD2 LEU A 30 -5.202 1.358 -12.310 1.00 0.00 C ATOM 0 H LEU A 30 -3.070 -0.655 -10.145 1.00 0.00 H new ATOM 0 HA LEU A 30 -5.552 0.555 -9.800 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -4.757 -1.925 -11.374 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -6.277 -1.076 -11.568 1.00 0.00 H new ATOM 0 HG LEU A 30 -3.522 0.058 -12.130 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -4.269 0.029 -14.478 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -4.241 -1.605 -13.774 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -5.789 -0.751 -13.980 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -4.731 1.992 -13.062 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -6.271 1.288 -12.512 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -5.047 1.791 -11.322 1.00 0.00 H new ATOM 262 N GLU A 31 -5.438 -2.566 -8.722 1.00 0.00 N ATOM 263 CA GLU A 31 -6.135 -3.539 -7.887 1.00 0.00 C ATOM 264 C GLU A 31 -6.296 -3.035 -6.454 1.00 0.00 C ATOM 265 O GLU A 31 -7.386 -3.097 -5.887 1.00 0.00 O ATOM 266 CB GLU A 31 -5.390 -4.876 -7.897 1.00 0.00 C ATOM 267 CG GLU A 31 -6.143 -6.005 -7.207 1.00 0.00 C ATOM 268 CD GLU A 31 -7.454 -6.351 -7.886 1.00 0.00 C ATOM 269 OE1 GLU A 31 -7.503 -6.359 -9.133 1.00 0.00 O ATOM 270 OE2 GLU A 31 -8.440 -6.631 -7.174 1.00 0.00 O ATOM 0 H GLU A 31 -4.544 -2.890 -9.092 1.00 0.00 H new ATOM 0 HA GLU A 31 -7.132 -3.682 -8.304 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.191 -5.163 -8.930 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.423 -4.746 -7.410 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.510 -6.892 -7.180 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.340 -5.723 -6.173 1.00 0.00 H new ATOM 277 N LEU A 32 -5.216 -2.521 -5.875 1.00 0.00 N ATOM 278 CA LEU A 32 -5.257 -2.020 -4.512 1.00 0.00 C ATOM 279 C LEU A 32 -6.204 -0.833 -4.393 1.00 0.00 C ATOM 280 O LEU A 32 -6.965 -0.733 -3.433 1.00 0.00 O ATOM 281 CB LEU A 32 -3.857 -1.626 -4.058 1.00 0.00 C ATOM 282 CG LEU A 32 -3.043 -2.739 -3.391 1.00 0.00 C ATOM 283 CD1 LEU A 32 -3.528 -2.982 -1.970 1.00 0.00 C ATOM 284 CD2 LEU A 32 -3.106 -4.028 -4.193 1.00 0.00 C ATOM 0 H LEU A 32 -4.306 -2.442 -6.329 1.00 0.00 H new ATOM 0 HA LEU A 32 -5.630 -2.815 -3.867 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -3.302 -1.262 -4.923 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -3.941 -0.793 -3.360 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.004 -2.411 -3.357 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -2.937 -3.776 -1.514 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.418 -2.068 -1.387 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -4.577 -3.276 -1.989 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -2.518 -4.797 -3.692 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.142 -4.357 -4.272 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -2.703 -3.856 -5.191 1.00 0.00 H new ATOM 296 N GLU A 33 -6.162 0.061 -5.377 1.00 0.00 N ATOM 297 CA GLU A 33 -7.016 1.224 -5.385 1.00 0.00 C ATOM 298 C GLU A 33 -8.467 0.804 -5.558 1.00 0.00 C ATOM 299 O GLU A 33 -9.362 1.351 -4.922 1.00 0.00 O ATOM 300 CB GLU A 33 -6.601 2.144 -6.520 1.00 0.00 C ATOM 301 CG GLU A 33 -5.759 3.327 -6.083 1.00 0.00 C ATOM 302 CD GLU A 33 -5.482 4.298 -7.213 1.00 0.00 C ATOM 303 OE1 GLU A 33 -5.881 4.011 -8.362 1.00 0.00 O ATOM 304 OE2 GLU A 33 -4.872 5.361 -6.954 1.00 0.00 O ATOM 0 H GLU A 33 -5.538 -0.007 -6.181 1.00 0.00 H new ATOM 0 HA GLU A 33 -6.917 1.752 -4.437 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -6.042 1.566 -7.256 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -7.497 2.514 -7.019 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -6.269 3.852 -5.275 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -4.813 2.965 -5.680 1.00 0.00 H new ATOM 311 N LYS A 34 -8.680 -0.183 -6.416 1.00 0.00 N ATOM 312 CA LYS A 34 -10.014 -0.700 -6.686 1.00 0.00 C ATOM 313 C LYS A 34 -10.629 -1.270 -5.415 1.00 0.00 C ATOM 314 O LYS A 34 -11.776 -0.965 -5.073 1.00 0.00 O ATOM 315 CB LYS A 34 -9.943 -1.778 -7.773 1.00 0.00 C ATOM 316 CG LYS A 34 -11.291 -2.363 -8.148 1.00 0.00 C ATOM 317 CD LYS A 34 -12.222 -1.301 -8.702 1.00 0.00 C ATOM 318 CE LYS A 34 -13.632 -1.835 -8.845 1.00 0.00 C ATOM 319 NZ LYS A 34 -14.227 -2.187 -7.531 1.00 0.00 N ATOM 0 H LYS A 34 -7.938 -0.646 -6.942 1.00 0.00 H new ATOM 0 HA LYS A 34 -10.645 0.116 -7.037 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -9.483 -1.352 -8.664 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -9.291 -2.582 -7.431 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -11.154 -3.151 -8.889 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -11.745 -2.825 -7.271 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -12.223 -0.434 -8.042 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -11.857 -0.963 -9.672 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -14.255 -1.088 -9.337 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -13.623 -2.716 -9.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -15.264 -2.204 -7.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -13.888 -3.125 -7.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -13.947 -1.479 -6.822 1.00 0.00 H new ATOM 333 N GLU A 35 -9.852 -2.084 -4.710 1.00 0.00 N ATOM 334 CA GLU A 35 -10.308 -2.695 -3.474 1.00 0.00 C ATOM 335 C GLU A 35 -10.555 -1.628 -2.412 1.00 0.00 C ATOM 336 O GLU A 35 -11.536 -1.694 -1.680 1.00 0.00 O ATOM 337 CB GLU A 35 -9.282 -3.713 -2.970 1.00 0.00 C ATOM 338 CG GLU A 35 -9.895 -4.829 -2.138 1.00 0.00 C ATOM 339 CD GLU A 35 -10.854 -5.689 -2.937 1.00 0.00 C ATOM 340 OE1 GLU A 35 -10.402 -6.375 -3.873 1.00 0.00 O ATOM 341 OE2 GLU A 35 -12.064 -5.685 -2.631 1.00 0.00 O ATOM 0 H GLU A 35 -8.900 -2.335 -4.977 1.00 0.00 H new ATOM 0 HA GLU A 35 -11.246 -3.214 -3.673 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -8.765 -4.149 -3.824 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -8.531 -3.196 -2.373 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -9.100 -5.456 -1.735 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -10.422 -4.396 -1.288 1.00 0.00 H new ATOM 348 N PHE A 36 -9.668 -0.638 -2.359 1.00 0.00 N ATOM 349 CA PHE A 36 -9.778 0.451 -1.395 1.00 0.00 C ATOM 350 C PHE A 36 -11.016 1.303 -1.662 1.00 0.00 C ATOM 351 O PHE A 36 -11.683 1.751 -0.733 1.00 0.00 O ATOM 352 CB PHE A 36 -8.519 1.318 -1.444 1.00 0.00 C ATOM 353 CG PHE A 36 -8.569 2.526 -0.549 1.00 0.00 C ATOM 354 CD1 PHE A 36 -8.562 2.388 0.829 1.00 0.00 C ATOM 355 CD2 PHE A 36 -8.617 3.799 -1.092 1.00 0.00 C ATOM 356 CE1 PHE A 36 -8.600 3.501 1.650 1.00 0.00 C ATOM 357 CE2 PHE A 36 -8.656 4.913 -0.277 1.00 0.00 C ATOM 358 CZ PHE A 36 -8.647 4.764 1.096 1.00 0.00 C ATOM 0 H PHE A 36 -8.860 -0.568 -2.977 1.00 0.00 H new ATOM 0 HA PHE A 36 -9.878 0.017 -0.400 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -7.660 0.708 -1.165 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -8.357 1.646 -2.471 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -8.527 1.402 1.267 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -8.624 3.922 -2.165 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -8.593 3.381 2.723 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -8.694 5.900 -0.713 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.677 5.634 1.735 1.00 0.00 H new ATOM 368 N LEU A 37 -11.316 1.530 -2.933 1.00 0.00 N ATOM 369 CA LEU A 37 -12.478 2.324 -3.306 1.00 0.00 C ATOM 370 C LEU A 37 -13.766 1.593 -2.946 1.00 0.00 C ATOM 371 O LEU A 37 -14.718 2.190 -2.436 1.00 0.00 O ATOM 372 CB LEU A 37 -12.443 2.648 -4.802 1.00 0.00 C ATOM 373 CG LEU A 37 -11.363 3.649 -5.220 1.00 0.00 C ATOM 374 CD1 LEU A 37 -11.339 3.806 -6.732 1.00 0.00 C ATOM 375 CD2 LEU A 37 -11.587 4.993 -4.543 1.00 0.00 C ATOM 0 H LEU A 37 -10.773 1.177 -3.721 1.00 0.00 H new ATOM 0 HA LEU A 37 -12.450 3.260 -2.748 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -12.293 1.721 -5.356 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.416 3.041 -5.096 1.00 0.00 H new ATOM 0 HG LEU A 37 -10.395 3.264 -4.900 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -10.565 4.521 -7.011 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -11.126 2.842 -7.195 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.308 4.167 -7.076 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -10.809 5.691 -4.853 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.562 5.387 -4.829 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -11.550 4.866 -3.461 1.00 0.00 H new ATOM 387 N PHE A 38 -13.778 0.294 -3.200 1.00 0.00 N ATOM 388 CA PHE A 38 -14.937 -0.541 -2.901 1.00 0.00 C ATOM 389 C PHE A 38 -15.091 -0.714 -1.401 1.00 0.00 C ATOM 390 O PHE A 38 -16.161 -0.483 -0.834 1.00 0.00 O ATOM 391 CB PHE A 38 -14.783 -1.915 -3.543 1.00 0.00 C ATOM 392 CG PHE A 38 -16.094 -2.542 -3.932 1.00 0.00 C ATOM 393 CD1 PHE A 38 -16.702 -2.218 -5.131 1.00 0.00 C ATOM 394 CD2 PHE A 38 -16.718 -3.449 -3.092 1.00 0.00 C ATOM 395 CE1 PHE A 38 -17.909 -2.788 -5.486 1.00 0.00 C ATOM 396 CE2 PHE A 38 -17.923 -4.024 -3.443 1.00 0.00 C ATOM 397 CZ PHE A 38 -18.520 -3.691 -4.642 1.00 0.00 C ATOM 0 H PHE A 38 -12.994 -0.210 -3.615 1.00 0.00 H new ATOM 0 HA PHE A 38 -15.821 -0.047 -3.305 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -14.154 -1.826 -4.429 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -14.264 -2.576 -2.849 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -16.228 -1.512 -5.797 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -16.256 -3.710 -2.151 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -18.374 -2.526 -6.425 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -18.398 -4.733 -2.781 1.00 0.00 H new ATOM 0 HZ PHE A 38 -19.464 -4.137 -4.919 1.00 0.00 H new ATOM 407 N ASN A 39 -14.004 -1.120 -0.773 1.00 0.00 N ATOM 408 CA ASN A 39 -13.968 -1.342 0.664 1.00 0.00 C ATOM 409 C ASN A 39 -12.773 -0.617 1.264 1.00 0.00 C ATOM 410 O ASN A 39 -11.667 -1.154 1.304 1.00 0.00 O ATOM 411 CB ASN A 39 -13.874 -2.837 1.006 1.00 0.00 C ATOM 412 CG ASN A 39 -14.611 -3.740 0.032 1.00 0.00 C ATOM 413 OD1 ASN A 39 -15.808 -3.999 0.183 1.00 0.00 O ATOM 414 ND2 ASN A 39 -13.897 -4.244 -0.964 1.00 0.00 N ATOM 0 H ASN A 39 -13.118 -1.306 -1.244 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.896 -0.954 1.083 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -12.824 -3.128 1.032 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -14.274 -2.996 2.007 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -14.335 -4.870 -1.640 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.909 -4.006 -1.055 1.00 0.00 H new ATOM 421 N MET A 40 -13.001 0.613 1.705 1.00 0.00 N ATOM 422 CA MET A 40 -11.952 1.424 2.310 1.00 0.00 C ATOM 423 C MET A 40 -11.351 0.722 3.520 1.00 0.00 C ATOM 424 O MET A 40 -10.177 0.909 3.844 1.00 0.00 O ATOM 425 CB MET A 40 -12.502 2.791 2.713 1.00 0.00 C ATOM 426 CG MET A 40 -12.497 3.803 1.579 1.00 0.00 C ATOM 427 SD MET A 40 -12.783 5.493 2.142 1.00 0.00 S ATOM 428 CE MET A 40 -14.430 5.348 2.830 1.00 0.00 C ATOM 0 H MET A 40 -13.910 1.074 1.655 1.00 0.00 H new ATOM 0 HA MET A 40 -11.164 1.565 1.570 1.00 0.00 H new ATOM 0 HB2 MET A 40 -13.522 2.671 3.078 1.00 0.00 H new ATOM 0 HB3 MET A 40 -11.911 3.182 3.541 1.00 0.00 H new ATOM 0 HG2 MET A 40 -11.539 3.756 1.061 1.00 0.00 H new ATOM 0 HG3 MET A 40 -13.265 3.532 0.854 1.00 0.00 H new ATOM 0 HE1 MET A 40 -14.811 6.340 3.074 1.00 0.00 H new ATOM 0 HE2 MET A 40 -15.088 4.875 2.101 1.00 0.00 H new ATOM 0 HE3 MET A 40 -14.394 4.741 3.734 1.00 0.00 H new ATOM 438 N TYR A 41 -12.166 -0.076 4.190 1.00 0.00 N ATOM 439 CA TYR A 41 -11.715 -0.825 5.345 1.00 0.00 C ATOM 440 C TYR A 41 -11.976 -2.302 5.141 1.00 0.00 C ATOM 441 O TYR A 41 -12.955 -2.701 4.507 1.00 0.00 O ATOM 442 CB TYR A 41 -12.398 -0.327 6.613 1.00 0.00 C ATOM 443 CG TYR A 41 -12.138 -1.155 7.855 1.00 0.00 C ATOM 444 CD1 TYR A 41 -10.913 -1.104 8.507 1.00 0.00 C ATOM 445 CD2 TYR A 41 -13.126 -1.976 8.384 1.00 0.00 C ATOM 446 CE1 TYR A 41 -10.679 -1.847 9.647 1.00 0.00 C ATOM 447 CE2 TYR A 41 -12.900 -2.724 9.523 1.00 0.00 C ATOM 448 CZ TYR A 41 -11.677 -2.655 10.151 1.00 0.00 C ATOM 449 OH TYR A 41 -11.451 -3.398 11.289 1.00 0.00 O ATOM 0 H TYR A 41 -13.147 -0.220 3.950 1.00 0.00 H new ATOM 0 HA TYR A 41 -10.642 -0.673 5.460 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -12.073 0.696 6.803 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -13.473 -0.293 6.438 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -10.130 -0.472 8.116 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -14.088 -2.030 7.896 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -9.720 -1.796 10.141 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -13.678 -3.359 9.919 1.00 0.00 H new ATOM 0 HH TYR A 41 -12.256 -3.911 11.510 1.00 0.00 H new ATOM 459 N LEU A 42 -11.102 -3.098 5.706 1.00 0.00 N ATOM 460 CA LEU A 42 -11.178 -4.533 5.606 1.00 0.00 C ATOM 461 C LEU A 42 -10.811 -5.161 6.935 1.00 0.00 C ATOM 462 O LEU A 42 -10.242 -4.505 7.808 1.00 0.00 O ATOM 463 CB LEU A 42 -10.212 -5.043 4.539 1.00 0.00 C ATOM 464 CG LEU A 42 -10.556 -4.694 3.088 1.00 0.00 C ATOM 465 CD1 LEU A 42 -9.463 -5.191 2.153 1.00 0.00 C ATOM 466 CD2 LEU A 42 -11.899 -5.288 2.694 1.00 0.00 C ATOM 0 H LEU A 42 -10.310 -2.763 6.254 1.00 0.00 H new ATOM 0 HA LEU A 42 -12.198 -4.805 5.334 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -9.220 -4.649 4.759 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -10.150 -6.128 4.624 1.00 0.00 H new ATOM 0 HG LEU A 42 -10.624 -3.609 3.003 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -9.720 -4.936 1.125 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -8.516 -4.720 2.417 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.369 -6.273 2.246 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -12.123 -5.027 1.660 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -11.861 -6.373 2.795 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -12.678 -4.890 3.345 1.00 0.00 H new ATOM 478 N THR A 43 -11.128 -6.426 7.070 1.00 0.00 N ATOM 479 CA THR A 43 -10.822 -7.173 8.273 1.00 0.00 C ATOM 480 C THR A 43 -9.413 -7.742 8.179 1.00 0.00 C ATOM 481 O THR A 43 -8.818 -7.744 7.103 1.00 0.00 O ATOM 482 CB THR A 43 -11.831 -8.315 8.476 1.00 0.00 C ATOM 483 OG1 THR A 43 -12.437 -8.654 7.219 1.00 0.00 O ATOM 484 CG2 THR A 43 -12.906 -7.914 9.473 1.00 0.00 C ATOM 0 H THR A 43 -11.605 -6.970 6.351 1.00 0.00 H new ATOM 0 HA THR A 43 -10.887 -6.498 9.127 1.00 0.00 H new ATOM 0 HB THR A 43 -11.300 -9.181 8.871 1.00 0.00 H new ATOM 0 HG1 THR A 43 -13.078 -9.383 7.351 1.00 0.00 H new ATOM 0 HG21 THR A 43 -13.609 -8.737 9.601 1.00 0.00 H new ATOM 0 HG22 THR A 43 -12.444 -7.679 10.432 1.00 0.00 H new ATOM 0 HG23 THR A 43 -13.437 -7.038 9.102 1.00 0.00 H new ATOM 492 N ARG A 44 -8.887 -8.229 9.292 1.00 0.00 N ATOM 493 CA ARG A 44 -7.541 -8.794 9.325 1.00 0.00 C ATOM 494 C ARG A 44 -7.424 -9.967 8.359 1.00 0.00 C ATOM 495 O ARG A 44 -6.476 -10.058 7.579 1.00 0.00 O ATOM 496 CB ARG A 44 -7.197 -9.263 10.740 1.00 0.00 C ATOM 497 CG ARG A 44 -6.547 -8.198 11.612 1.00 0.00 C ATOM 498 CD ARG A 44 -7.489 -7.036 11.879 1.00 0.00 C ATOM 499 NE ARG A 44 -8.732 -7.470 12.515 1.00 0.00 N ATOM 500 CZ ARG A 44 -9.912 -6.884 12.317 1.00 0.00 C ATOM 501 NH1 ARG A 44 -10.022 -5.878 11.462 1.00 0.00 N ATOM 502 NH2 ARG A 44 -10.989 -7.309 12.959 1.00 0.00 N ATOM 0 H ARG A 44 -9.372 -8.246 10.189 1.00 0.00 H new ATOM 0 HA ARG A 44 -6.841 -8.016 9.022 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -8.109 -9.608 11.227 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -6.527 -10.120 10.673 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -6.239 -8.642 12.559 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -5.644 -7.830 11.124 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -6.991 -6.306 12.517 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -7.719 -6.533 10.940 1.00 0.00 H new ATOM 0 HE ARG A 44 -8.693 -8.269 13.148 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -9.202 -5.550 10.953 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -10.927 -5.432 11.313 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -10.919 -8.090 13.611 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -11.889 -6.855 12.802 1.00 0.00 H new ATOM 516 N ASP A 45 -8.401 -10.857 8.418 1.00 0.00 N ATOM 517 CA ASP A 45 -8.427 -12.038 7.562 1.00 0.00 C ATOM 518 C ASP A 45 -8.600 -11.660 6.102 1.00 0.00 C ATOM 519 O ASP A 45 -7.853 -12.128 5.243 1.00 0.00 O ATOM 520 CB ASP A 45 -9.546 -12.987 7.994 1.00 0.00 C ATOM 521 CG ASP A 45 -9.395 -14.369 7.393 1.00 0.00 C ATOM 522 OD1 ASP A 45 -9.629 -14.526 6.179 1.00 0.00 O ATOM 523 OD2 ASP A 45 -9.041 -15.308 8.138 1.00 0.00 O ATOM 0 H ASP A 45 -9.194 -10.785 9.055 1.00 0.00 H new ATOM 0 HA ASP A 45 -7.468 -12.545 7.669 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -9.553 -13.065 9.081 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -10.508 -12.568 7.699 1.00 0.00 H new ATOM 528 N ARG A 46 -9.569 -10.800 5.831 1.00 0.00 N ATOM 529 CA ARG A 46 -9.839 -10.362 4.465 1.00 0.00 C ATOM 530 C ARG A 46 -8.633 -9.625 3.887 1.00 0.00 C ATOM 531 O ARG A 46 -8.279 -9.816 2.728 1.00 0.00 O ATOM 532 CB ARG A 46 -11.087 -9.476 4.411 1.00 0.00 C ATOM 533 CG ARG A 46 -11.504 -9.116 2.996 1.00 0.00 C ATOM 534 CD ARG A 46 -12.965 -8.699 2.923 1.00 0.00 C ATOM 535 NE ARG A 46 -13.358 -8.341 1.561 1.00 0.00 N ATOM 536 CZ ARG A 46 -14.612 -8.111 1.175 1.00 0.00 C ATOM 537 NH1 ARG A 46 -15.616 -8.199 2.041 1.00 0.00 N ATOM 538 NH2 ARG A 46 -14.860 -7.797 -0.086 1.00 0.00 N ATOM 0 H ARG A 46 -10.182 -10.390 6.536 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.025 -11.248 3.858 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -11.911 -9.990 4.906 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -10.899 -8.560 4.972 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -10.876 -8.304 2.628 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -11.337 -9.970 2.340 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -13.594 -9.514 3.281 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -13.135 -7.850 3.586 1.00 0.00 H new ATOM 0 HE ARG A 46 -12.622 -8.262 0.859 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -15.431 -8.445 3.013 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -16.572 -8.021 1.733 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.093 -7.732 -0.756 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -15.818 -7.620 -0.389 1.00 0.00 H new ATOM 552 N ARG A 47 -7.999 -8.795 4.707 1.00 0.00 N ATOM 553 CA ARG A 47 -6.823 -8.050 4.277 1.00 0.00 C ATOM 554 C ARG A 47 -5.698 -9.006 3.917 1.00 0.00 C ATOM 555 O ARG A 47 -5.016 -8.819 2.910 1.00 0.00 O ATOM 556 CB ARG A 47 -6.375 -7.086 5.379 1.00 0.00 C ATOM 557 CG ARG A 47 -5.110 -6.311 5.049 1.00 0.00 C ATOM 558 CD ARG A 47 -4.770 -5.312 6.144 1.00 0.00 C ATOM 559 NE ARG A 47 -4.586 -5.957 7.445 1.00 0.00 N ATOM 560 CZ ARG A 47 -4.766 -5.344 8.618 1.00 0.00 C ATOM 561 NH1 ARG A 47 -5.154 -4.075 8.658 1.00 0.00 N ATOM 562 NH2 ARG A 47 -4.560 -6.008 9.746 1.00 0.00 N ATOM 0 H ARG A 47 -8.280 -8.621 5.672 1.00 0.00 H new ATOM 0 HA ARG A 47 -7.080 -7.469 3.392 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -7.180 -6.379 5.578 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -6.213 -7.651 6.297 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -4.280 -7.005 4.917 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -5.240 -5.786 4.103 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -3.860 -4.776 5.874 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -5.566 -4.571 6.217 1.00 0.00 H new ATOM 0 HE ARG A 47 -4.302 -6.937 7.457 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -5.316 -3.564 7.790 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -5.290 -3.611 9.556 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -4.265 -6.984 9.717 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -4.696 -5.543 10.644 1.00 0.00 H new ATOM 576 N TYR A 48 -5.519 -10.037 4.734 1.00 0.00 N ATOM 577 CA TYR A 48 -4.483 -11.020 4.480 1.00 0.00 C ATOM 578 C TYR A 48 -4.833 -11.839 3.247 1.00 0.00 C ATOM 579 O TYR A 48 -3.958 -12.193 2.462 1.00 0.00 O ATOM 580 CB TYR A 48 -4.285 -11.941 5.681 1.00 0.00 C ATOM 581 CG TYR A 48 -3.076 -12.833 5.534 1.00 0.00 C ATOM 582 CD1 TYR A 48 -1.810 -12.284 5.380 1.00 0.00 C ATOM 583 CD2 TYR A 48 -3.197 -14.216 5.533 1.00 0.00 C ATOM 584 CE1 TYR A 48 -0.699 -13.085 5.230 1.00 0.00 C ATOM 585 CE2 TYR A 48 -2.088 -15.026 5.387 1.00 0.00 C ATOM 586 CZ TYR A 48 -0.843 -14.455 5.234 1.00 0.00 C ATOM 587 OH TYR A 48 0.264 -15.257 5.079 1.00 0.00 O ATOM 0 H TYR A 48 -6.075 -10.210 5.571 1.00 0.00 H new ATOM 0 HA TYR A 48 -3.548 -10.487 4.306 1.00 0.00 H new ATOM 0 HB2 TYR A 48 -4.180 -11.338 6.583 1.00 0.00 H new ATOM 0 HB3 TYR A 48 -5.174 -12.558 5.812 1.00 0.00 H new ATOM 0 HD1 TYR A 48 -1.694 -11.210 5.378 1.00 0.00 H new ATOM 0 HD2 TYR A 48 -4.173 -14.665 5.648 1.00 0.00 H new ATOM 0 HE1 TYR A 48 0.278 -12.642 5.110 1.00 0.00 H new ATOM 0 HE2 TYR A 48 -2.196 -16.101 5.393 1.00 0.00 H new ATOM 0 HH TYR A 48 -0.008 -16.198 5.106 1.00 0.00 H new ATOM 597 N GLU A 49 -6.119 -12.131 3.081 1.00 0.00 N ATOM 598 CA GLU A 49 -6.583 -12.894 1.930 1.00 0.00 C ATOM 599 C GLU A 49 -6.295 -12.123 0.658 1.00 0.00 C ATOM 600 O GLU A 49 -5.680 -12.649 -0.266 1.00 0.00 O ATOM 601 CB GLU A 49 -8.083 -13.176 2.037 1.00 0.00 C ATOM 602 CG GLU A 49 -8.571 -14.265 1.096 1.00 0.00 C ATOM 603 CD GLU A 49 -8.271 -15.656 1.611 1.00 0.00 C ATOM 604 OE1 GLU A 49 -7.109 -16.102 1.498 1.00 0.00 O ATOM 605 OE2 GLU A 49 -9.201 -16.316 2.127 1.00 0.00 O ATOM 0 H GLU A 49 -6.856 -11.851 3.728 1.00 0.00 H new ATOM 0 HA GLU A 49 -6.053 -13.846 1.907 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -8.317 -13.463 3.062 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -8.632 -12.257 1.830 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -9.646 -14.159 0.950 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -8.103 -14.134 0.120 1.00 0.00 H new ATOM 612 N VAL A 50 -6.739 -10.874 0.626 1.00 0.00 N ATOM 613 CA VAL A 50 -6.512 -10.005 -0.521 1.00 0.00 C ATOM 614 C VAL A 50 -5.018 -9.923 -0.813 1.00 0.00 C ATOM 615 O VAL A 50 -4.585 -10.026 -1.963 1.00 0.00 O ATOM 616 CB VAL A 50 -7.080 -8.586 -0.268 1.00 0.00 C ATOM 617 CG1 VAL A 50 -6.563 -7.591 -1.295 1.00 0.00 C ATOM 618 CG2 VAL A 50 -8.602 -8.611 -0.276 1.00 0.00 C ATOM 0 H VAL A 50 -7.261 -10.438 1.386 1.00 0.00 H new ATOM 0 HA VAL A 50 -7.031 -10.428 -1.381 1.00 0.00 H new ATOM 0 HB VAL A 50 -6.738 -8.262 0.715 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -6.981 -6.605 -1.089 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.475 -7.543 -1.240 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.862 -7.910 -2.293 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -8.983 -7.606 -0.097 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -8.955 -8.966 -1.244 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -8.959 -9.280 0.507 1.00 0.00 H new ATOM 628 N ALA A 51 -4.241 -9.755 0.247 1.00 0.00 N ATOM 629 CA ALA A 51 -2.794 -9.687 0.140 1.00 0.00 C ATOM 630 C ALA A 51 -2.223 -10.978 -0.447 1.00 0.00 C ATOM 631 O ALA A 51 -1.364 -10.946 -1.331 1.00 0.00 O ATOM 632 CB ALA A 51 -2.188 -9.428 1.507 1.00 0.00 C ATOM 0 H ALA A 51 -4.595 -9.663 1.199 1.00 0.00 H new ATOM 0 HA ALA A 51 -2.540 -8.867 -0.532 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -1.103 -9.378 1.420 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.565 -8.483 1.899 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -2.461 -10.237 2.185 1.00 0.00 H new ATOM 638 N ARG A 52 -2.729 -12.106 0.041 1.00 0.00 N ATOM 639 CA ARG A 52 -2.286 -13.420 -0.395 1.00 0.00 C ATOM 640 C ARG A 52 -2.630 -13.658 -1.856 1.00 0.00 C ATOM 641 O ARG A 52 -1.793 -14.119 -2.634 1.00 0.00 O ATOM 642 CB ARG A 52 -2.964 -14.476 0.462 1.00 0.00 C ATOM 643 CG ARG A 52 -2.100 -15.689 0.745 1.00 0.00 C ATOM 644 CD ARG A 52 -2.824 -16.657 1.658 1.00 0.00 C ATOM 645 NE ARG A 52 -1.958 -17.731 2.138 1.00 0.00 N ATOM 646 CZ ARG A 52 -2.122 -18.344 3.308 1.00 0.00 C ATOM 647 NH1 ARG A 52 -3.119 -17.990 4.110 1.00 0.00 N ATOM 648 NH2 ARG A 52 -1.304 -19.323 3.665 1.00 0.00 N ATOM 0 H ARG A 52 -3.460 -12.132 0.752 1.00 0.00 H new ATOM 0 HA ARG A 52 -1.203 -13.478 -0.287 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -3.260 -14.025 1.409 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -3.877 -14.802 -0.036 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -1.843 -16.186 -0.191 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -1.164 -15.376 1.207 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -3.228 -16.113 2.511 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -3.671 -17.089 1.125 1.00 0.00 H new ATOM 0 HE ARG A 52 -1.184 -18.028 1.543 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -3.760 -17.248 3.830 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -3.244 -18.460 5.006 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -0.547 -19.608 3.043 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -1.431 -19.792 4.562 1.00 0.00 H new ATOM 662 N VAL A 53 -3.869 -13.344 -2.212 1.00 0.00 N ATOM 663 CA VAL A 53 -4.355 -13.514 -3.579 1.00 0.00 C ATOM 664 C VAL A 53 -3.511 -12.712 -4.574 1.00 0.00 C ATOM 665 O VAL A 53 -3.378 -13.091 -5.742 1.00 0.00 O ATOM 666 CB VAL A 53 -5.844 -13.100 -3.695 1.00 0.00 C ATOM 667 CG1 VAL A 53 -6.325 -13.133 -5.141 1.00 0.00 C ATOM 668 CG2 VAL A 53 -6.711 -14.007 -2.838 1.00 0.00 C ATOM 0 H VAL A 53 -4.563 -12.966 -1.567 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.265 -14.572 -3.825 1.00 0.00 H new ATOM 0 HB VAL A 53 -5.930 -12.074 -3.336 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -7.373 -12.837 -5.183 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.729 -12.443 -5.739 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -6.217 -14.143 -5.537 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -7.754 -13.705 -2.929 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -6.601 -15.038 -3.173 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -6.400 -13.929 -1.796 1.00 0.00 H new ATOM 678 N LEU A 54 -2.917 -11.623 -4.105 1.00 0.00 N ATOM 679 CA LEU A 54 -2.099 -10.787 -4.956 1.00 0.00 C ATOM 680 C LEU A 54 -0.635 -11.188 -4.848 1.00 0.00 C ATOM 681 O LEU A 54 -0.168 -12.075 -5.566 1.00 0.00 O ATOM 682 CB LEU A 54 -2.282 -9.320 -4.572 1.00 0.00 C ATOM 683 CG LEU A 54 -3.665 -8.745 -4.870 1.00 0.00 C ATOM 684 CD1 LEU A 54 -3.845 -7.410 -4.168 1.00 0.00 C ATOM 685 CD2 LEU A 54 -3.865 -8.593 -6.370 1.00 0.00 C ATOM 0 H LEU A 54 -2.990 -11.303 -3.139 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.413 -10.922 -5.991 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -2.081 -9.211 -3.506 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -1.536 -8.726 -5.100 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.418 -9.437 -4.492 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.835 -7.013 -4.390 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -3.742 -7.548 -3.092 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.086 -6.710 -4.518 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.856 -8.182 -6.565 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.107 -7.920 -6.772 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -3.776 -9.568 -6.850 1.00 0.00 H new ATOM 697 N ASN A 55 0.069 -10.544 -3.924 1.00 0.00 N ATOM 698 CA ASN A 55 1.489 -10.798 -3.687 1.00 0.00 C ATOM 699 C ASN A 55 1.979 -9.904 -2.556 1.00 0.00 C ATOM 700 O ASN A 55 3.129 -9.462 -2.543 1.00 0.00 O ATOM 701 CB ASN A 55 2.304 -10.514 -4.956 1.00 0.00 C ATOM 702 CG ASN A 55 3.672 -11.169 -4.932 1.00 0.00 C ATOM 703 OD1 ASN A 55 3.837 -12.274 -4.418 1.00 0.00 O ATOM 704 ND2 ASN A 55 4.664 -10.487 -5.486 1.00 0.00 N ATOM 0 H ASN A 55 -0.328 -9.828 -3.315 1.00 0.00 H new ATOM 0 HA ASN A 55 1.620 -11.845 -3.414 1.00 0.00 H new ATOM 0 HB2 ASN A 55 1.751 -10.869 -5.825 1.00 0.00 H new ATOM 0 HB3 ASN A 55 2.423 -9.437 -5.073 1.00 0.00 H new ATOM 0 HD21 ASN A 55 5.607 -10.876 -5.497 1.00 0.00 H new ATOM 0 HD22 ASN A 55 4.485 -9.573 -5.902 1.00 0.00 H new ATOM 711 N LEU A 56 1.101 -9.636 -1.600 1.00 0.00 N ATOM 712 CA LEU A 56 1.450 -8.762 -0.489 1.00 0.00 C ATOM 713 C LEU A 56 1.199 -9.432 0.852 1.00 0.00 C ATOM 714 O LEU A 56 0.862 -10.615 0.926 1.00 0.00 O ATOM 715 CB LEU A 56 0.634 -7.467 -0.555 1.00 0.00 C ATOM 716 CG LEU A 56 0.714 -6.697 -1.876 1.00 0.00 C ATOM 717 CD1 LEU A 56 -0.249 -5.520 -1.860 1.00 0.00 C ATOM 718 CD2 LEU A 56 2.134 -6.214 -2.135 1.00 0.00 C ATOM 0 H LEU A 56 0.151 -10.007 -1.570 1.00 0.00 H new ATOM 0 HA LEU A 56 2.514 -8.540 -0.575 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -0.411 -7.708 -0.359 1.00 0.00 H new ATOM 0 HB3 LEU A 56 0.966 -6.809 0.248 1.00 0.00 H new ATOM 0 HG LEU A 56 0.430 -7.372 -2.683 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.181 -4.982 -2.805 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -1.267 -5.885 -1.722 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.010 -4.849 -1.041 1.00 0.00 H new ATOM 0 HD21 LEU A 56 2.167 -5.670 -3.079 1.00 0.00 H new ATOM 0 HD22 LEU A 56 2.448 -5.555 -1.325 1.00 0.00 H new ATOM 0 HD23 LEU A 56 2.806 -7.071 -2.187 1.00 0.00 H new ATOM 730 N THR A 57 1.372 -8.653 1.905 1.00 0.00 N ATOM 731 CA THR A 57 1.149 -9.100 3.265 1.00 0.00 C ATOM 732 C THR A 57 0.089 -8.213 3.899 1.00 0.00 C ATOM 733 O THR A 57 -0.423 -7.297 3.245 1.00 0.00 O ATOM 734 CB THR A 57 2.435 -8.996 4.101 1.00 0.00 C ATOM 735 OG1 THR A 57 2.941 -7.656 4.025 1.00 0.00 O ATOM 736 CG2 THR A 57 3.492 -9.976 3.614 1.00 0.00 C ATOM 0 H THR A 57 1.675 -7.681 1.837 1.00 0.00 H new ATOM 0 HA THR A 57 0.830 -10.142 3.241 1.00 0.00 H new ATOM 0 HB THR A 57 2.197 -9.247 5.135 1.00 0.00 H new ATOM 0 HG1 THR A 57 2.869 -7.229 4.904 1.00 0.00 H new ATOM 0 HG21 THR A 57 4.389 -9.877 4.226 1.00 0.00 H new ATOM 0 HG22 THR A 57 3.109 -10.993 3.693 1.00 0.00 H new ATOM 0 HG23 THR A 57 3.737 -9.760 2.574 1.00 0.00 H new ATOM 744 N GLU A 58 -0.239 -8.465 5.157 1.00 0.00 N ATOM 745 CA GLU A 58 -1.225 -7.649 5.845 1.00 0.00 C ATOM 746 C GLU A 58 -0.732 -6.214 5.946 1.00 0.00 C ATOM 747 O GLU A 58 -1.483 -5.275 5.695 1.00 0.00 O ATOM 748 CB GLU A 58 -1.516 -8.199 7.240 1.00 0.00 C ATOM 749 CG GLU A 58 -2.681 -9.168 7.277 1.00 0.00 C ATOM 750 CD GLU A 58 -3.166 -9.423 8.685 1.00 0.00 C ATOM 751 OE1 GLU A 58 -3.767 -8.509 9.281 1.00 0.00 O ATOM 752 OE2 GLU A 58 -2.939 -10.533 9.204 1.00 0.00 O ATOM 0 H GLU A 58 0.159 -9.220 5.716 1.00 0.00 H new ATOM 0 HA GLU A 58 -2.150 -7.674 5.269 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -0.625 -8.700 7.617 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -1.724 -7.368 7.914 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.501 -8.771 6.678 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.381 -10.112 6.821 1.00 0.00 H new ATOM 759 N ARG A 59 0.541 -6.057 6.285 1.00 0.00 N ATOM 760 CA ARG A 59 1.135 -4.739 6.416 1.00 0.00 C ATOM 761 C ARG A 59 1.252 -4.060 5.060 1.00 0.00 C ATOM 762 O ARG A 59 1.032 -2.855 4.950 1.00 0.00 O ATOM 763 CB ARG A 59 2.508 -4.831 7.084 1.00 0.00 C ATOM 764 CG ARG A 59 2.852 -3.615 7.926 1.00 0.00 C ATOM 765 CD ARG A 59 4.220 -3.751 8.572 1.00 0.00 C ATOM 766 NE ARG A 59 4.387 -2.836 9.700 1.00 0.00 N ATOM 767 CZ ARG A 59 5.552 -2.572 10.289 1.00 0.00 C ATOM 768 NH1 ARG A 59 6.672 -3.141 9.857 1.00 0.00 N ATOM 769 NH2 ARG A 59 5.591 -1.737 11.318 1.00 0.00 N ATOM 0 H ARG A 59 1.180 -6.829 6.474 1.00 0.00 H new ATOM 0 HA ARG A 59 0.481 -4.136 7.046 1.00 0.00 H new ATOM 0 HB2 ARG A 59 2.539 -5.720 7.714 1.00 0.00 H new ATOM 0 HB3 ARG A 59 3.270 -4.959 6.315 1.00 0.00 H new ATOM 0 HG2 ARG A 59 2.831 -2.722 7.302 1.00 0.00 H new ATOM 0 HG3 ARG A 59 2.095 -3.481 8.699 1.00 0.00 H new ATOM 0 HD2 ARG A 59 4.359 -4.777 8.914 1.00 0.00 H new ATOM 0 HD3 ARG A 59 4.993 -3.555 7.829 1.00 0.00 H new ATOM 0 HE ARG A 59 3.555 -2.368 10.060 1.00 0.00 H new ATOM 0 HH11 ARG A 59 6.645 -3.786 9.068 1.00 0.00 H new ATOM 0 HH12 ARG A 59 7.559 -2.932 10.315 1.00 0.00 H new ATOM 0 HH21 ARG A 59 4.732 -1.301 11.654 1.00 0.00 H new ATOM 0 HH22 ARG A 59 6.480 -1.530 11.774 1.00 0.00 H new ATOM 783 N GLN A 60 1.575 -4.833 4.026 1.00 0.00 N ATOM 784 CA GLN A 60 1.700 -4.285 2.686 1.00 0.00 C ATOM 785 C GLN A 60 0.380 -3.665 2.242 1.00 0.00 C ATOM 786 O GLN A 60 0.359 -2.590 1.643 1.00 0.00 O ATOM 787 CB GLN A 60 2.125 -5.368 1.698 1.00 0.00 C ATOM 788 CG GLN A 60 3.626 -5.600 1.646 1.00 0.00 C ATOM 789 CD GLN A 60 4.343 -4.581 0.784 1.00 0.00 C ATOM 790 OE1 GLN A 60 3.759 -4.004 -0.133 1.00 0.00 O ATOM 791 NE2 GLN A 60 5.619 -4.370 1.057 1.00 0.00 N ATOM 0 H GLN A 60 1.753 -5.835 4.094 1.00 0.00 H new ATOM 0 HA GLN A 60 2.467 -3.511 2.705 1.00 0.00 H new ATOM 0 HB2 GLN A 60 1.632 -6.303 1.965 1.00 0.00 H new ATOM 0 HB3 GLN A 60 1.775 -5.095 0.702 1.00 0.00 H new ATOM 0 HG2 GLN A 60 4.031 -5.564 2.657 1.00 0.00 H new ATOM 0 HG3 GLN A 60 3.822 -6.600 1.259 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.065 -4.869 1.826 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.157 -3.708 0.498 1.00 0.00 H new ATOM 800 N VAL A 61 -0.719 -4.345 2.557 1.00 0.00 N ATOM 801 CA VAL A 61 -2.046 -3.863 2.191 1.00 0.00 C ATOM 802 C VAL A 61 -2.497 -2.741 3.124 1.00 0.00 C ATOM 803 O VAL A 61 -3.079 -1.749 2.682 1.00 0.00 O ATOM 804 CB VAL A 61 -3.092 -5.000 2.199 1.00 0.00 C ATOM 805 CG1 VAL A 61 -4.495 -4.462 1.961 1.00 0.00 C ATOM 806 CG2 VAL A 61 -2.746 -6.040 1.149 1.00 0.00 C ATOM 0 H VAL A 61 -0.716 -5.230 3.064 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.973 -3.474 1.175 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.072 -5.467 3.184 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.208 -5.287 1.972 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -4.750 -3.751 2.747 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.534 -3.962 0.993 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.491 -6.835 1.165 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.735 -5.573 0.164 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -1.763 -6.459 1.362 1.00 0.00 H new ATOM 816 N LYS A 62 -2.215 -2.900 4.415 1.00 0.00 N ATOM 817 CA LYS A 62 -2.596 -1.903 5.411 1.00 0.00 C ATOM 818 C LYS A 62 -1.969 -0.559 5.092 1.00 0.00 C ATOM 819 O LYS A 62 -2.642 0.468 5.081 1.00 0.00 O ATOM 820 CB LYS A 62 -2.135 -2.336 6.798 1.00 0.00 C ATOM 821 CG LYS A 62 -2.987 -1.763 7.918 1.00 0.00 C ATOM 822 CD LYS A 62 -2.166 -1.489 9.165 1.00 0.00 C ATOM 823 CE LYS A 62 -2.949 -0.656 10.162 1.00 0.00 C ATOM 824 NZ LYS A 62 -2.142 -0.330 11.364 1.00 0.00 N ATOM 0 H LYS A 62 -1.724 -3.709 4.795 1.00 0.00 H new ATOM 0 HA LYS A 62 -3.682 -1.813 5.392 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -2.153 -3.424 6.857 1.00 0.00 H new ATOM 0 HB3 LYS A 62 -1.100 -2.026 6.943 1.00 0.00 H new ATOM 0 HG2 LYS A 62 -3.457 -0.839 7.581 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -3.790 -2.460 8.157 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.873 -2.432 9.626 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -1.248 -0.968 8.893 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -3.279 0.267 9.685 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -3.846 -1.197 10.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.712 0.240 12.021 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -1.848 -1.210 11.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -1.299 0.209 11.080 1.00 0.00 H new ATOM 838 N ILE A 63 -0.679 -0.583 4.805 1.00 0.00 N ATOM 839 CA ILE A 63 0.054 0.630 4.477 1.00 0.00 C ATOM 840 C ILE A 63 -0.428 1.200 3.152 1.00 0.00 C ATOM 841 O ILE A 63 -0.479 2.413 2.970 1.00 0.00 O ATOM 842 CB ILE A 63 1.573 0.369 4.422 1.00 0.00 C ATOM 843 CG1 ILE A 63 2.079 -0.084 5.798 1.00 0.00 C ATOM 844 CG2 ILE A 63 2.326 1.607 3.951 1.00 0.00 C ATOM 845 CD1 ILE A 63 1.883 0.942 6.890 1.00 0.00 C ATOM 0 H ILE A 63 -0.115 -1.432 4.792 1.00 0.00 H new ATOM 0 HA ILE A 63 -0.136 1.358 5.266 1.00 0.00 H new ATOM 0 HB ILE A 63 1.759 -0.426 3.700 1.00 0.00 H new ATOM 0 HG12 ILE A 63 1.564 -1.003 6.079 1.00 0.00 H new ATOM 0 HG13 ILE A 63 3.140 -0.323 5.724 1.00 0.00 H new ATOM 0 HG21 ILE A 63 3.395 1.394 3.922 1.00 0.00 H new ATOM 0 HG22 ILE A 63 1.984 1.883 2.954 1.00 0.00 H new ATOM 0 HG23 ILE A 63 2.139 2.431 4.640 1.00 0.00 H new ATOM 0 HD11 ILE A 63 2.265 0.548 7.832 1.00 0.00 H new ATOM 0 HD12 ILE A 63 2.421 1.854 6.633 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.821 1.164 6.994 1.00 0.00 H new ATOM 857 N TRP A 64 -0.797 0.319 2.233 1.00 0.00 N ATOM 858 CA TRP A 64 -1.296 0.742 0.935 1.00 0.00 C ATOM 859 C TRP A 64 -2.608 1.506 1.113 1.00 0.00 C ATOM 860 O TRP A 64 -2.805 2.579 0.540 1.00 0.00 O ATOM 861 CB TRP A 64 -1.512 -0.470 0.031 1.00 0.00 C ATOM 862 CG TRP A 64 -1.024 -0.278 -1.373 1.00 0.00 C ATOM 863 CD1 TRP A 64 0.058 -0.877 -1.955 1.00 0.00 C ATOM 864 CD2 TRP A 64 -1.606 0.562 -2.379 1.00 0.00 C ATOM 865 NE1 TRP A 64 0.183 -0.460 -3.260 1.00 0.00 N ATOM 866 CE2 TRP A 64 -0.827 0.421 -3.541 1.00 0.00 C ATOM 867 CE3 TRP A 64 -2.711 1.420 -2.408 1.00 0.00 C ATOM 868 CZ2 TRP A 64 -1.117 1.104 -4.719 1.00 0.00 C ATOM 869 CZ3 TRP A 64 -2.997 2.093 -3.581 1.00 0.00 C ATOM 870 CH2 TRP A 64 -2.204 1.932 -4.719 1.00 0.00 C ATOM 0 H TRP A 64 -0.760 -0.692 2.363 1.00 0.00 H new ATOM 0 HA TRP A 64 -0.561 1.397 0.467 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -1.004 -1.330 0.467 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -2.576 -0.707 0.006 1.00 0.00 H new ATOM 0 HD1 TRP A 64 0.718 -1.575 -1.462 1.00 0.00 H new ATOM 0 HE1 TRP A 64 0.909 -0.758 -3.911 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -3.328 1.554 -1.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -0.505 0.984 -5.601 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -3.849 2.755 -3.618 1.00 0.00 H new ATOM 0 HH2 TRP A 64 -2.455 2.474 -5.619 1.00 0.00 H new ATOM 881 N PHE A 65 -3.490 0.951 1.935 1.00 0.00 N ATOM 882 CA PHE A 65 -4.775 1.559 2.213 1.00 0.00 C ATOM 883 C PHE A 65 -4.596 2.847 2.997 1.00 0.00 C ATOM 884 O PHE A 65 -5.298 3.836 2.773 1.00 0.00 O ATOM 885 CB PHE A 65 -5.651 0.573 2.982 1.00 0.00 C ATOM 886 CG PHE A 65 -6.412 -0.377 2.096 1.00 0.00 C ATOM 887 CD1 PHE A 65 -5.836 -0.889 0.941 1.00 0.00 C ATOM 888 CD2 PHE A 65 -7.703 -0.760 2.417 1.00 0.00 C ATOM 889 CE1 PHE A 65 -6.533 -1.761 0.129 1.00 0.00 C ATOM 890 CE2 PHE A 65 -8.405 -1.632 1.608 1.00 0.00 C ATOM 891 CZ PHE A 65 -7.819 -2.134 0.464 1.00 0.00 C ATOM 0 H PHE A 65 -3.331 0.070 2.424 1.00 0.00 H new ATOM 0 HA PHE A 65 -5.265 1.806 1.271 1.00 0.00 H new ATOM 0 HB2 PHE A 65 -5.024 -0.002 3.663 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -6.359 1.131 3.595 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -4.830 -0.601 0.674 1.00 0.00 H new ATOM 0 HD2 PHE A 65 -8.167 -0.372 3.312 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -6.073 -2.151 -0.767 1.00 0.00 H new ATOM 0 HE2 PHE A 65 -9.412 -1.921 1.871 1.00 0.00 H new ATOM 0 HZ PHE A 65 -8.366 -2.818 -0.168 1.00 0.00 H new ATOM 901 N GLN A 66 -3.639 2.827 3.905 1.00 0.00 N ATOM 902 CA GLN A 66 -3.318 3.971 4.724 1.00 0.00 C ATOM 903 C GLN A 66 -2.768 5.097 3.857 1.00 0.00 C ATOM 904 O GLN A 66 -3.108 6.267 4.038 1.00 0.00 O ATOM 905 CB GLN A 66 -2.285 3.555 5.761 1.00 0.00 C ATOM 906 CG GLN A 66 -2.802 3.537 7.187 1.00 0.00 C ATOM 907 CD GLN A 66 -4.059 2.706 7.352 1.00 0.00 C ATOM 908 OE1 GLN A 66 -3.997 1.511 7.638 1.00 0.00 O ATOM 909 NE2 GLN A 66 -5.212 3.333 7.178 1.00 0.00 N ATOM 0 H GLN A 66 -3.060 2.008 4.093 1.00 0.00 H new ATOM 0 HA GLN A 66 -4.217 4.331 5.224 1.00 0.00 H new ATOM 0 HB2 GLN A 66 -1.915 2.561 5.509 1.00 0.00 H new ATOM 0 HB3 GLN A 66 -1.436 4.236 5.704 1.00 0.00 H new ATOM 0 HG2 GLN A 66 -2.025 3.145 7.844 1.00 0.00 H new ATOM 0 HG3 GLN A 66 -3.004 4.559 7.507 1.00 0.00 H new ATOM 0 HE21 GLN A 66 -5.222 4.325 6.941 1.00 0.00 H new ATOM 0 HE22 GLN A 66 -6.090 2.824 7.281 1.00 0.00 H new ATOM 918 N ASN A 67 -1.925 4.721 2.905 1.00 0.00 N ATOM 919 CA ASN A 67 -1.316 5.656 1.987 1.00 0.00 C ATOM 920 C ASN A 67 -2.368 6.272 1.077 1.00 0.00 C ATOM 921 O ASN A 67 -2.383 7.481 0.858 1.00 0.00 O ATOM 922 CB ASN A 67 -0.269 4.922 1.157 1.00 0.00 C ATOM 923 CG ASN A 67 1.148 5.254 1.574 1.00 0.00 C ATOM 924 OD1 ASN A 67 1.468 6.396 1.888 1.00 0.00 O ATOM 925 ND2 ASN A 67 2.006 4.246 1.587 1.00 0.00 N ATOM 0 H ASN A 67 -1.647 3.752 2.752 1.00 0.00 H new ATOM 0 HA ASN A 67 -0.843 6.460 2.551 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -0.427 3.847 1.248 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.402 5.176 0.105 1.00 0.00 H new ATOM 0 HD21 ASN A 67 2.974 4.404 1.866 1.00 0.00 H new ATOM 0 HD22 ASN A 67 1.699 3.311 1.318 1.00 0.00 H new ATOM 932 N ARG A 68 -3.263 5.431 0.568 1.00 0.00 N ATOM 933 CA ARG A 68 -4.326 5.887 -0.316 1.00 0.00 C ATOM 934 C ARG A 68 -5.195 6.936 0.371 1.00 0.00 C ATOM 935 O ARG A 68 -5.669 7.875 -0.269 1.00 0.00 O ATOM 936 CB ARG A 68 -5.190 4.708 -0.758 1.00 0.00 C ATOM 937 CG ARG A 68 -5.124 4.421 -2.253 1.00 0.00 C ATOM 938 CD ARG A 68 -5.223 5.693 -3.088 1.00 0.00 C ATOM 939 NE ARG A 68 -6.487 6.401 -2.882 1.00 0.00 N ATOM 940 CZ ARG A 68 -7.294 6.775 -3.872 1.00 0.00 C ATOM 941 NH1 ARG A 68 -6.967 6.522 -5.132 1.00 0.00 N ATOM 942 NH2 ARG A 68 -8.420 7.418 -3.603 1.00 0.00 N ATOM 0 H ARG A 68 -3.272 4.428 0.754 1.00 0.00 H new ATOM 0 HA ARG A 68 -3.864 6.341 -1.193 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -4.878 3.817 -0.213 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -6.226 4.905 -0.481 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.189 3.910 -2.482 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -5.933 3.744 -2.527 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.394 6.355 -2.836 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.120 5.440 -4.143 1.00 0.00 H new ATOM 0 HE ARG A 68 -6.765 6.620 -1.926 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.094 6.039 -5.345 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -7.588 6.810 -5.888 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -8.669 7.627 -2.636 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -9.038 7.704 -4.362 1.00 0.00 H new ATOM 956 N ARG A 69 -5.397 6.772 1.673 1.00 0.00 N ATOM 957 CA ARG A 69 -6.197 7.712 2.448 1.00 0.00 C ATOM 958 C ARG A 69 -5.518 9.076 2.495 1.00 0.00 C ATOM 959 O ARG A 69 -6.166 10.108 2.329 1.00 0.00 O ATOM 960 CB ARG A 69 -6.426 7.190 3.869 1.00 0.00 C ATOM 961 CG ARG A 69 -7.344 8.080 4.697 1.00 0.00 C ATOM 962 CD ARG A 69 -7.703 7.444 6.029 1.00 0.00 C ATOM 963 NE ARG A 69 -6.566 7.400 6.948 1.00 0.00 N ATOM 964 CZ ARG A 69 -6.413 6.474 7.893 1.00 0.00 C ATOM 965 NH1 ARG A 69 -7.320 5.514 8.039 1.00 0.00 N ATOM 966 NH2 ARG A 69 -5.351 6.506 8.693 1.00 0.00 N ATOM 0 H ARG A 69 -5.017 5.996 2.215 1.00 0.00 H new ATOM 0 HA ARG A 69 -7.165 7.816 1.958 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -6.853 6.188 3.816 1.00 0.00 H new ATOM 0 HB3 ARG A 69 -5.465 7.101 4.375 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -6.857 9.039 4.873 1.00 0.00 H new ATOM 0 HG3 ARG A 69 -8.255 8.283 4.135 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -8.517 8.004 6.489 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -8.069 6.431 5.859 1.00 0.00 H new ATOM 0 HE ARG A 69 -5.849 8.120 6.860 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -8.135 5.485 7.427 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -7.201 4.806 8.763 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.652 7.241 8.583 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -5.236 5.796 9.416 1.00 0.00 H new