USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 397 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 Set 1.1: A 401 LYS NZ :NH3+ -176:sc= 0.743 (180deg=0) USER MOD Set 1.2: A 403 CYS SG : rot 180:sc= 0.652 USER MOD Single : A 385 HIS : no HD1:sc= -1.43 K(o=-1.4,f=-0.24) USER MOD Single : A 386 THR OG1 : rot 180:sc= -0.0907 USER MOD Single : A 387 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.000689) USER MOD Single : A 391 THR OG1 : rot 150:sc= -0.834 USER MOD Single : A 396 THR OG1 : rot 180:sc= 0 USER MOD Single : A 397 HIS : no HD1:sc= -1.74 K(o=-1.7,f=-2.4!) USER MOD Single : A 398 TYR OH : rot -126:sc= 0.0532 USER MOD Single : A 404 SER OG : rot 180:sc= 0 USER MOD Single : A 407 TYR OH : rot 180:sc= 0 USER MOD Single : A 410 SER OG : rot 69:sc= 1.27 USER MOD Single : A 411 THR OG1 : rot 180:sc= -0.0748 USER MOD Single : A 422 LYS NZ :NH3+ -106:sc= -1.6! (180deg=-4.4!) USER MOD Single : A 424 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 428 SER OG : rot -27:sc= 1.23 USER MOD ----------------------------------------------------------------- ATOM 158 N VAL A 377 14.291 3.408 9.638 1.00 0.00 N ATOM 159 CA VAL A 377 14.210 2.997 8.241 1.00 0.00 C ATOM 160 C VAL A 377 15.528 3.249 7.517 1.00 0.00 C ATOM 161 O VAL A 377 16.044 4.366 7.517 1.00 0.00 O ATOM 162 CB VAL A 377 13.081 3.739 7.502 1.00 0.00 C ATOM 163 CG1 VAL A 377 13.175 3.498 6.003 1.00 0.00 C ATOM 164 CG2 VAL A 377 11.723 3.309 8.035 1.00 0.00 C ATOM 0 HA VAL A 377 13.995 1.928 8.237 1.00 0.00 H new ATOM 0 HB VAL A 377 13.194 4.808 7.682 1.00 0.00 H new ATOM 0 HG11 VAL A 377 12.369 4.030 5.498 1.00 0.00 H new ATOM 0 HG12 VAL A 377 14.135 3.860 5.636 1.00 0.00 H new ATOM 0 HG13 VAL A 377 13.088 2.431 5.800 1.00 0.00 H new ATOM 0 HG21 VAL A 377 10.937 3.843 7.501 1.00 0.00 H new ATOM 0 HG22 VAL A 377 11.597 2.236 7.887 1.00 0.00 H new ATOM 0 HG23 VAL A 377 11.660 3.539 9.099 1.00 0.00 H new ATOM 174 N ASP A 378 16.068 2.203 6.901 1.00 0.00 N ATOM 175 CA ASP A 378 17.326 2.310 6.171 1.00 0.00 C ATOM 176 C ASP A 378 17.104 2.929 4.795 1.00 0.00 C ATOM 177 O ASP A 378 17.708 3.946 4.456 1.00 0.00 O ATOM 178 CB ASP A 378 17.976 0.933 6.027 1.00 0.00 C ATOM 179 CG ASP A 378 19.364 1.008 5.422 1.00 0.00 C ATOM 180 OD1 ASP A 378 20.206 1.755 5.962 1.00 0.00 O ATOM 181 OD2 ASP A 378 19.607 0.321 4.408 1.00 0.00 O ATOM 0 H ASP A 378 15.654 1.271 6.893 1.00 0.00 H new ATOM 0 HA ASP A 378 17.993 2.959 6.738 1.00 0.00 H new ATOM 0 HB2 ASP A 378 18.035 0.458 7.006 1.00 0.00 H new ATOM 0 HB3 ASP A 378 17.345 0.300 5.403 1.00 0.00 H new ATOM 186 N ARG A 379 16.235 2.306 4.005 1.00 0.00 N ATOM 187 CA ARG A 379 15.935 2.794 2.664 1.00 0.00 C ATOM 188 C ARG A 379 14.794 1.998 2.038 1.00 0.00 C ATOM 189 O ARG A 379 14.334 1.005 2.603 1.00 0.00 O ATOM 190 CB ARG A 379 17.178 2.707 1.777 1.00 0.00 C ATOM 191 CG ARG A 379 17.694 1.290 1.588 1.00 0.00 C ATOM 192 CD ARG A 379 18.691 1.208 0.443 1.00 0.00 C ATOM 193 NE ARG A 379 19.342 -0.098 0.377 1.00 0.00 N ATOM 194 CZ ARG A 379 20.350 -0.376 -0.442 1.00 0.00 C ATOM 195 NH1 ARG A 379 20.820 0.556 -1.260 1.00 0.00 N ATOM 196 NH2 ARG A 379 20.891 -1.588 -0.444 1.00 0.00 N ATOM 0 H ARG A 379 15.727 1.463 4.270 1.00 0.00 H new ATOM 0 HA ARG A 379 15.626 3.836 2.745 1.00 0.00 H new ATOM 0 HB2 ARG A 379 16.948 3.134 0.801 1.00 0.00 H new ATOM 0 HB3 ARG A 379 17.969 3.317 2.213 1.00 0.00 H new ATOM 0 HG2 ARG A 379 18.167 0.948 2.509 1.00 0.00 H new ATOM 0 HG3 ARG A 379 16.857 0.620 1.392 1.00 0.00 H new ATOM 0 HD2 ARG A 379 18.179 1.406 -0.499 1.00 0.00 H new ATOM 0 HD3 ARG A 379 19.447 1.984 0.564 1.00 0.00 H new ATOM 0 HE ARG A 379 19.004 -0.837 0.994 1.00 0.00 H new ATOM 0 HH11 ARG A 379 20.407 1.489 -1.261 1.00 0.00 H new ATOM 0 HH12 ARG A 379 21.594 0.340 -1.888 1.00 0.00 H new ATOM 0 HH21 ARG A 379 20.533 -2.307 0.184 1.00 0.00 H new ATOM 0 HH22 ARG A 379 21.665 -1.800 -1.074 1.00 0.00 H new ATOM 210 N ILE A 380 14.341 2.441 0.870 1.00 0.00 N ATOM 211 CA ILE A 380 13.255 1.770 0.168 1.00 0.00 C ATOM 212 C ILE A 380 13.792 0.834 -0.909 1.00 0.00 C ATOM 213 O ILE A 380 14.418 1.275 -1.874 1.00 0.00 O ATOM 214 CB ILE A 380 12.293 2.782 -0.480 1.00 0.00 C ATOM 215 CG1 ILE A 380 11.646 3.663 0.591 1.00 0.00 C ATOM 216 CG2 ILE A 380 11.229 2.058 -1.291 1.00 0.00 C ATOM 217 CD1 ILE A 380 10.922 4.866 0.028 1.00 0.00 C ATOM 0 H ILE A 380 14.710 3.262 0.390 1.00 0.00 H new ATOM 0 HA ILE A 380 12.710 1.189 0.912 1.00 0.00 H new ATOM 0 HB ILE A 380 12.863 3.421 -1.154 1.00 0.00 H new ATOM 0 HG12 ILE A 380 10.942 3.062 1.167 1.00 0.00 H new ATOM 0 HG13 ILE A 380 12.416 4.004 1.283 1.00 0.00 H new ATOM 0 HG21 ILE A 380 10.557 2.787 -1.743 1.00 0.00 H new ATOM 0 HG22 ILE A 380 11.706 1.470 -2.075 1.00 0.00 H new ATOM 0 HG23 ILE A 380 10.660 1.397 -0.637 1.00 0.00 H new ATOM 0 HD11 ILE A 380 10.488 5.444 0.844 1.00 0.00 H new ATOM 0 HD12 ILE A 380 11.626 5.489 -0.524 1.00 0.00 H new ATOM 0 HD13 ILE A 380 10.129 4.533 -0.642 1.00 0.00 H new ATOM 229 N LEU A 381 13.542 -0.460 -0.740 1.00 0.00 N ATOM 230 CA LEU A 381 13.999 -1.460 -1.699 1.00 0.00 C ATOM 231 C LEU A 381 13.209 -1.366 -3.001 1.00 0.00 C ATOM 232 O LEU A 381 13.712 -0.867 -4.007 1.00 0.00 O ATOM 233 CB LEU A 381 13.862 -2.863 -1.106 1.00 0.00 C ATOM 234 CG LEU A 381 14.902 -3.253 -0.056 1.00 0.00 C ATOM 235 CD1 LEU A 381 14.457 -4.493 0.702 1.00 0.00 C ATOM 236 CD2 LEU A 381 16.258 -3.481 -0.707 1.00 0.00 C ATOM 0 H LEU A 381 13.025 -0.841 0.052 1.00 0.00 H new ATOM 0 HA LEU A 381 15.049 -1.266 -1.918 1.00 0.00 H new ATOM 0 HB2 LEU A 381 12.872 -2.951 -0.658 1.00 0.00 H new ATOM 0 HB3 LEU A 381 13.909 -3.586 -1.920 1.00 0.00 H new ATOM 0 HG LEU A 381 14.997 -2.433 0.655 1.00 0.00 H new ATOM 0 HD11 LEU A 381 15.210 -4.755 1.445 1.00 0.00 H new ATOM 0 HD12 LEU A 381 13.509 -4.294 1.201 1.00 0.00 H new ATOM 0 HD13 LEU A 381 14.332 -5.321 0.004 1.00 0.00 H new ATOM 0 HD21 LEU A 381 16.986 -3.758 0.056 1.00 0.00 H new ATOM 0 HD22 LEU A 381 16.179 -4.283 -1.441 1.00 0.00 H new ATOM 0 HD23 LEU A 381 16.582 -2.566 -1.203 1.00 0.00 H new ATOM 248 N GLU A 382 11.970 -1.846 -2.972 1.00 0.00 N ATOM 249 CA GLU A 382 11.111 -1.814 -4.150 1.00 0.00 C ATOM 250 C GLU A 382 9.684 -1.427 -3.772 1.00 0.00 C ATOM 251 O GLU A 382 9.355 -1.298 -2.593 1.00 0.00 O ATOM 252 CB GLU A 382 11.115 -3.176 -4.847 1.00 0.00 C ATOM 253 CG GLU A 382 12.222 -3.330 -5.877 1.00 0.00 C ATOM 254 CD GLU A 382 12.269 -4.720 -6.480 1.00 0.00 C ATOM 255 OE1 GLU A 382 12.227 -5.703 -5.710 1.00 0.00 O ATOM 256 OE2 GLU A 382 12.348 -4.825 -7.722 1.00 0.00 O ATOM 0 H GLU A 382 11.539 -2.261 -2.146 1.00 0.00 H new ATOM 0 HA GLU A 382 11.503 -1.062 -4.835 1.00 0.00 H new ATOM 0 HB2 GLU A 382 11.218 -3.959 -4.096 1.00 0.00 H new ATOM 0 HB3 GLU A 382 10.152 -3.328 -5.335 1.00 0.00 H new ATOM 0 HG2 GLU A 382 12.078 -2.598 -6.672 1.00 0.00 H new ATOM 0 HG3 GLU A 382 13.181 -3.108 -5.410 1.00 0.00 H new ATOM 263 N VAL A 383 8.840 -1.244 -4.783 1.00 0.00 N ATOM 264 CA VAL A 383 7.448 -0.873 -4.559 1.00 0.00 C ATOM 265 C VAL A 383 6.506 -1.768 -5.355 1.00 0.00 C ATOM 266 O VAL A 383 6.776 -2.102 -6.508 1.00 0.00 O ATOM 267 CB VAL A 383 7.190 0.596 -4.943 1.00 0.00 C ATOM 268 CG1 VAL A 383 7.529 0.833 -6.407 1.00 0.00 C ATOM 269 CG2 VAL A 383 5.746 0.977 -4.654 1.00 0.00 C ATOM 0 H VAL A 383 9.096 -1.347 -5.765 1.00 0.00 H new ATOM 0 HA VAL A 383 7.253 -1.002 -3.494 1.00 0.00 H new ATOM 0 HB VAL A 383 7.837 1.230 -4.337 1.00 0.00 H new ATOM 0 HG11 VAL A 383 7.340 1.876 -6.660 1.00 0.00 H new ATOM 0 HG12 VAL A 383 8.580 0.602 -6.579 1.00 0.00 H new ATOM 0 HG13 VAL A 383 6.910 0.190 -7.033 1.00 0.00 H new ATOM 0 HG21 VAL A 383 5.582 2.018 -4.931 1.00 0.00 H new ATOM 0 HG22 VAL A 383 5.078 0.338 -5.232 1.00 0.00 H new ATOM 0 HG23 VAL A 383 5.541 0.848 -3.591 1.00 0.00 H new ATOM 279 N ALA A 384 5.397 -2.153 -4.731 1.00 0.00 N ATOM 280 CA ALA A 384 4.412 -3.008 -5.382 1.00 0.00 C ATOM 281 C ALA A 384 3.072 -2.294 -5.522 1.00 0.00 C ATOM 282 O ALA A 384 2.710 -1.463 -4.689 1.00 0.00 O ATOM 283 CB ALA A 384 4.242 -4.305 -4.605 1.00 0.00 C ATOM 0 H ALA A 384 5.159 -1.886 -3.776 1.00 0.00 H new ATOM 0 HA ALA A 384 4.776 -3.242 -6.382 1.00 0.00 H new ATOM 0 HB1 ALA A 384 3.503 -4.933 -5.103 1.00 0.00 H new ATOM 0 HB2 ALA A 384 5.196 -4.831 -4.562 1.00 0.00 H new ATOM 0 HB3 ALA A 384 3.905 -4.081 -3.593 1.00 0.00 H new ATOM 289 N HIS A 385 2.339 -2.622 -6.582 1.00 0.00 N ATOM 290 CA HIS A 385 1.039 -2.011 -6.831 1.00 0.00 C ATOM 291 C HIS A 385 -0.056 -3.072 -6.899 1.00 0.00 C ATOM 292 O HIS A 385 -0.112 -3.861 -7.843 1.00 0.00 O ATOM 293 CB HIS A 385 1.069 -1.208 -8.132 1.00 0.00 C ATOM 294 CG HIS A 385 2.081 -0.105 -8.131 1.00 0.00 C ATOM 295 ND1 HIS A 385 1.792 1.182 -8.533 1.00 0.00 N ATOM 296 CD2 HIS A 385 3.387 -0.101 -7.772 1.00 0.00 C ATOM 297 CE1 HIS A 385 2.876 1.930 -8.423 1.00 0.00 C ATOM 298 NE2 HIS A 385 3.858 1.175 -7.963 1.00 0.00 N ATOM 0 H HIS A 385 2.624 -3.307 -7.282 1.00 0.00 H new ATOM 0 HA HIS A 385 0.817 -1.338 -6.003 1.00 0.00 H new ATOM 0 HB2 HIS A 385 1.280 -1.883 -8.961 1.00 0.00 H new ATOM 0 HB3 HIS A 385 0.081 -0.783 -8.310 1.00 0.00 H new ATOM 0 HD2 HIS A 385 3.953 -0.944 -7.404 1.00 0.00 H new ATOM 0 HE1 HIS A 385 2.947 2.980 -8.667 1.00 0.00 H new ATOM 0 HE2 HIS A 385 4.811 1.489 -7.780 1.00 0.00 H new ATOM 306 N THR A 386 -0.924 -3.086 -5.892 1.00 0.00 N ATOM 307 CA THR A 386 -2.015 -4.051 -5.837 1.00 0.00 C ATOM 308 C THR A 386 -3.232 -3.465 -5.130 1.00 0.00 C ATOM 309 O THR A 386 -3.145 -2.420 -4.485 1.00 0.00 O ATOM 310 CB THR A 386 -1.587 -5.342 -5.114 1.00 0.00 C ATOM 311 OG1 THR A 386 -0.189 -5.576 -5.316 1.00 0.00 O ATOM 312 CG2 THR A 386 -2.384 -6.535 -5.620 1.00 0.00 C ATOM 0 H THR A 386 -0.892 -2.440 -5.103 1.00 0.00 H new ATOM 0 HA THR A 386 -2.278 -4.291 -6.867 1.00 0.00 H new ATOM 0 HB THR A 386 -1.784 -5.218 -4.049 1.00 0.00 H new ATOM 0 HG1 THR A 386 0.076 -6.398 -4.852 1.00 0.00 H new ATOM 0 HG21 THR A 386 -2.064 -7.435 -5.095 1.00 0.00 H new ATOM 0 HG22 THR A 386 -3.446 -6.367 -5.439 1.00 0.00 H new ATOM 0 HG23 THR A 386 -2.214 -6.659 -6.689 1.00 0.00 H new ATOM 320 N LYS A 387 -4.366 -4.145 -5.254 1.00 0.00 N ATOM 321 CA LYS A 387 -5.602 -3.694 -4.625 1.00 0.00 C ATOM 322 C LYS A 387 -6.150 -4.757 -3.678 1.00 0.00 C ATOM 323 O LYS A 387 -5.921 -5.951 -3.871 1.00 0.00 O ATOM 324 CB LYS A 387 -6.647 -3.356 -5.690 1.00 0.00 C ATOM 325 CG LYS A 387 -7.255 -4.579 -6.355 1.00 0.00 C ATOM 326 CD LYS A 387 -6.467 -4.995 -7.585 1.00 0.00 C ATOM 327 CE LYS A 387 -6.780 -6.428 -7.989 1.00 0.00 C ATOM 328 NZ LYS A 387 -6.063 -7.414 -7.135 1.00 0.00 N ATOM 0 H LYS A 387 -4.455 -5.011 -5.785 1.00 0.00 H new ATOM 0 HA LYS A 387 -5.380 -2.797 -4.046 1.00 0.00 H new ATOM 0 HB2 LYS A 387 -7.443 -2.768 -5.233 1.00 0.00 H new ATOM 0 HB3 LYS A 387 -6.186 -2.729 -6.453 1.00 0.00 H new ATOM 0 HG2 LYS A 387 -7.283 -5.404 -5.644 1.00 0.00 H new ATOM 0 HG3 LYS A 387 -8.286 -4.366 -6.637 1.00 0.00 H new ATOM 0 HD2 LYS A 387 -6.700 -4.324 -8.412 1.00 0.00 H new ATOM 0 HD3 LYS A 387 -5.400 -4.897 -7.385 1.00 0.00 H new ATOM 0 HE2 LYS A 387 -7.854 -6.599 -7.918 1.00 0.00 H new ATOM 0 HE3 LYS A 387 -6.502 -6.580 -9.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 387 -6.289 -8.378 -7.453 1.00 0.00 H new ATOM 0 HZ2 LYS A 387 -5.038 -7.257 -7.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 387 -6.360 -7.297 -6.145 1.00 0.00 H new ATOM 342 N ASP A 388 -6.877 -4.316 -2.658 1.00 0.00 N ATOM 343 CA ASP A 388 -7.461 -5.230 -1.683 1.00 0.00 C ATOM 344 C ASP A 388 -8.267 -6.323 -2.378 1.00 0.00 C ATOM 345 O ASP A 388 -8.419 -6.314 -3.599 1.00 0.00 O ATOM 346 CB ASP A 388 -8.353 -4.464 -0.705 1.00 0.00 C ATOM 347 CG ASP A 388 -7.590 -3.964 0.506 1.00 0.00 C ATOM 348 OD1 ASP A 388 -6.571 -4.590 0.866 1.00 0.00 O ATOM 349 OD2 ASP A 388 -8.010 -2.945 1.092 1.00 0.00 O ATOM 0 H ASP A 388 -7.076 -3.331 -2.484 1.00 0.00 H new ATOM 0 HA ASP A 388 -6.648 -5.700 -1.129 1.00 0.00 H new ATOM 0 HB2 ASP A 388 -8.807 -3.617 -1.219 1.00 0.00 H new ATOM 0 HB3 ASP A 388 -9.166 -5.111 -0.376 1.00 0.00 H new ATOM 354 N ALA A 389 -8.780 -7.263 -1.591 1.00 0.00 N ATOM 355 CA ALA A 389 -9.571 -8.362 -2.130 1.00 0.00 C ATOM 356 C ALA A 389 -11.027 -7.950 -2.319 1.00 0.00 C ATOM 357 O ALA A 389 -11.524 -7.894 -3.443 1.00 0.00 O ATOM 358 CB ALA A 389 -9.478 -9.576 -1.218 1.00 0.00 C ATOM 0 H ALA A 389 -8.662 -7.285 -0.578 1.00 0.00 H new ATOM 0 HA ALA A 389 -9.165 -8.624 -3.107 1.00 0.00 H new ATOM 0 HB1 ALA A 389 -10.074 -10.389 -1.633 1.00 0.00 H new ATOM 0 HB2 ALA A 389 -8.438 -9.892 -1.138 1.00 0.00 H new ATOM 0 HB3 ALA A 389 -9.856 -9.318 -0.229 1.00 0.00 H new ATOM 364 N GLU A 390 -11.704 -7.663 -1.212 1.00 0.00 N ATOM 365 CA GLU A 390 -13.104 -7.257 -1.257 1.00 0.00 C ATOM 366 C GLU A 390 -13.255 -5.900 -1.938 1.00 0.00 C ATOM 367 O GLU A 390 -13.707 -5.812 -3.081 1.00 0.00 O ATOM 368 CB GLU A 390 -13.687 -7.199 0.156 1.00 0.00 C ATOM 369 CG GLU A 390 -13.797 -8.558 0.826 1.00 0.00 C ATOM 370 CD GLU A 390 -12.537 -9.387 0.673 1.00 0.00 C ATOM 371 OE1 GLU A 390 -11.461 -8.913 1.094 1.00 0.00 O ATOM 372 OE2 GLU A 390 -12.626 -10.509 0.133 1.00 0.00 O ATOM 0 H GLU A 390 -11.306 -7.704 -0.274 1.00 0.00 H new ATOM 0 HA GLU A 390 -13.652 -7.999 -1.838 1.00 0.00 H new ATOM 0 HB2 GLU A 390 -13.063 -6.550 0.771 1.00 0.00 H new ATOM 0 HB3 GLU A 390 -14.676 -6.743 0.113 1.00 0.00 H new ATOM 0 HG2 GLU A 390 -14.010 -8.420 1.886 1.00 0.00 H new ATOM 0 HG3 GLU A 390 -14.640 -9.102 0.399 1.00 0.00 H new ATOM 379 N THR A 391 -12.875 -4.842 -1.228 1.00 0.00 N ATOM 380 CA THR A 391 -12.969 -3.489 -1.762 1.00 0.00 C ATOM 381 C THR A 391 -12.345 -3.401 -3.150 1.00 0.00 C ATOM 382 O THR A 391 -12.897 -2.770 -4.050 1.00 0.00 O ATOM 383 CB THR A 391 -12.279 -2.470 -0.835 1.00 0.00 C ATOM 384 OG1 THR A 391 -11.815 -1.351 -1.597 1.00 0.00 O ATOM 385 CG2 THR A 391 -11.111 -3.111 -0.101 1.00 0.00 C ATOM 0 H THR A 391 -12.499 -4.896 -0.281 1.00 0.00 H new ATOM 0 HA THR A 391 -14.030 -3.248 -1.828 1.00 0.00 H new ATOM 0 HB THR A 391 -13.007 -2.130 -0.099 1.00 0.00 H new ATOM 0 HG1 THR A 391 -11.828 -0.546 -1.038 1.00 0.00 H new ATOM 0 HG21 THR A 391 -10.639 -2.373 0.547 1.00 0.00 H new ATOM 0 HG22 THR A 391 -11.473 -3.944 0.501 1.00 0.00 H new ATOM 0 HG23 THR A 391 -10.383 -3.476 -0.825 1.00 0.00 H new ATOM 393 N GLY A 392 -11.190 -4.038 -3.316 1.00 0.00 N ATOM 394 CA GLY A 392 -10.510 -4.019 -4.598 1.00 0.00 C ATOM 395 C GLY A 392 -10.028 -2.633 -4.978 1.00 0.00 C ATOM 396 O GLY A 392 -9.792 -2.351 -6.152 1.00 0.00 O ATOM 0 H GLY A 392 -10.713 -4.567 -2.586 1.00 0.00 H new ATOM 0 HA2 GLY A 392 -9.659 -4.700 -4.565 1.00 0.00 H new ATOM 0 HA3 GLY A 392 -11.185 -4.390 -5.369 1.00 0.00 H new ATOM 400 N GLU A 393 -9.883 -1.764 -3.982 1.00 0.00 N ATOM 401 CA GLU A 393 -9.428 -0.399 -4.219 1.00 0.00 C ATOM 402 C GLU A 393 -7.915 -0.356 -4.415 1.00 0.00 C ATOM 403 O GLU A 393 -7.179 -1.132 -3.807 1.00 0.00 O ATOM 404 CB GLU A 393 -9.829 0.506 -3.052 1.00 0.00 C ATOM 405 CG GLU A 393 -9.100 0.187 -1.757 1.00 0.00 C ATOM 406 CD GLU A 393 -8.989 1.389 -0.839 1.00 0.00 C ATOM 407 OE1 GLU A 393 -8.354 2.386 -1.243 1.00 0.00 O ATOM 408 OE2 GLU A 393 -9.537 1.333 0.282 1.00 0.00 O ATOM 0 H GLU A 393 -10.074 -1.981 -3.004 1.00 0.00 H new ATOM 0 HA GLU A 393 -9.905 -0.037 -5.130 1.00 0.00 H new ATOM 0 HB2 GLU A 393 -9.633 1.543 -3.324 1.00 0.00 H new ATOM 0 HB3 GLU A 393 -10.903 0.417 -2.886 1.00 0.00 H new ATOM 0 HG2 GLU A 393 -9.624 -0.615 -1.237 1.00 0.00 H new ATOM 0 HG3 GLU A 393 -8.101 -0.182 -1.988 1.00 0.00 H new ATOM 415 N GLU A 394 -7.461 0.557 -5.267 1.00 0.00 N ATOM 416 CA GLU A 394 -6.036 0.700 -5.544 1.00 0.00 C ATOM 417 C GLU A 394 -5.250 0.916 -4.254 1.00 0.00 C ATOM 418 O GLU A 394 -5.546 1.825 -3.478 1.00 0.00 O ATOM 419 CB GLU A 394 -5.795 1.869 -6.502 1.00 0.00 C ATOM 420 CG GLU A 394 -6.429 3.172 -6.044 1.00 0.00 C ATOM 421 CD GLU A 394 -6.427 4.233 -7.127 1.00 0.00 C ATOM 422 OE1 GLU A 394 -6.509 3.867 -8.318 1.00 0.00 O ATOM 423 OE2 GLU A 394 -6.345 5.431 -6.783 1.00 0.00 O ATOM 0 H GLU A 394 -8.058 1.208 -5.777 1.00 0.00 H new ATOM 0 HA GLU A 394 -5.689 -0.221 -6.011 1.00 0.00 H new ATOM 0 HB2 GLU A 394 -4.721 2.018 -6.617 1.00 0.00 H new ATOM 0 HB3 GLU A 394 -6.188 1.609 -7.485 1.00 0.00 H new ATOM 0 HG2 GLU A 394 -7.455 2.982 -5.729 1.00 0.00 H new ATOM 0 HG3 GLU A 394 -5.892 3.547 -5.172 1.00 0.00 H new ATOM 430 N VAL A 395 -4.247 0.073 -4.031 1.00 0.00 N ATOM 431 CA VAL A 395 -3.418 0.170 -2.836 1.00 0.00 C ATOM 432 C VAL A 395 -1.936 0.105 -3.189 1.00 0.00 C ATOM 433 O VAL A 395 -1.456 -0.895 -3.724 1.00 0.00 O ATOM 434 CB VAL A 395 -3.745 -0.952 -1.833 1.00 0.00 C ATOM 435 CG1 VAL A 395 -2.731 -0.967 -0.699 1.00 0.00 C ATOM 436 CG2 VAL A 395 -5.158 -0.789 -1.293 1.00 0.00 C ATOM 0 H VAL A 395 -3.989 -0.685 -4.663 1.00 0.00 H new ATOM 0 HA VAL A 395 -3.637 1.133 -2.376 1.00 0.00 H new ATOM 0 HB VAL A 395 -3.687 -1.908 -2.353 1.00 0.00 H new ATOM 0 HG11 VAL A 395 -2.978 -1.766 -0.000 1.00 0.00 H new ATOM 0 HG12 VAL A 395 -1.734 -1.136 -1.105 1.00 0.00 H new ATOM 0 HG13 VAL A 395 -2.754 -0.010 -0.178 1.00 0.00 H new ATOM 0 HG21 VAL A 395 -5.372 -1.590 -0.586 1.00 0.00 H new ATOM 0 HG22 VAL A 395 -5.246 0.173 -0.789 1.00 0.00 H new ATOM 0 HG23 VAL A 395 -5.870 -0.833 -2.117 1.00 0.00 H new ATOM 446 N THR A 396 -1.213 1.179 -2.885 1.00 0.00 N ATOM 447 CA THR A 396 0.214 1.245 -3.170 1.00 0.00 C ATOM 448 C THR A 396 1.038 0.848 -1.950 1.00 0.00 C ATOM 449 O THR A 396 0.964 1.491 -0.902 1.00 0.00 O ATOM 450 CB THR A 396 0.633 2.658 -3.619 1.00 0.00 C ATOM 451 OG1 THR A 396 -0.157 3.069 -4.741 1.00 0.00 O ATOM 452 CG2 THR A 396 2.108 2.694 -3.990 1.00 0.00 C ATOM 0 H THR A 396 -1.593 2.015 -2.441 1.00 0.00 H new ATOM 0 HA THR A 396 0.406 0.542 -3.980 1.00 0.00 H new ATOM 0 HB THR A 396 0.468 3.343 -2.788 1.00 0.00 H new ATOM 0 HG1 THR A 396 0.114 3.969 -5.020 1.00 0.00 H new ATOM 0 HG21 THR A 396 2.380 3.702 -4.304 1.00 0.00 H new ATOM 0 HG22 THR A 396 2.708 2.409 -3.126 1.00 0.00 H new ATOM 0 HG23 THR A 396 2.295 1.997 -4.807 1.00 0.00 H new ATOM 460 N HIS A 397 1.823 -0.215 -2.092 1.00 0.00 N ATOM 461 CA HIS A 397 2.663 -0.697 -1.001 1.00 0.00 C ATOM 462 C HIS A 397 4.137 -0.435 -1.293 1.00 0.00 C ATOM 463 O HIS A 397 4.613 -0.677 -2.403 1.00 0.00 O ATOM 464 CB HIS A 397 2.433 -2.192 -0.776 1.00 0.00 C ATOM 465 CG HIS A 397 1.343 -2.489 0.207 1.00 0.00 C ATOM 466 ND1 HIS A 397 0.177 -1.758 0.281 1.00 0.00 N ATOM 467 CD2 HIS A 397 1.246 -3.446 1.159 1.00 0.00 C ATOM 468 CE1 HIS A 397 -0.590 -2.251 1.237 1.00 0.00 C ATOM 469 NE2 HIS A 397 0.036 -3.277 1.785 1.00 0.00 N ATOM 0 H HIS A 397 1.895 -0.759 -2.952 1.00 0.00 H new ATOM 0 HA HIS A 397 2.389 -0.154 -0.096 1.00 0.00 H new ATOM 0 HB2 HIS A 397 2.189 -2.661 -1.729 1.00 0.00 H new ATOM 0 HB3 HIS A 397 3.360 -2.645 -0.426 1.00 0.00 H new ATOM 0 HD2 HIS A 397 1.983 -4.202 1.384 1.00 0.00 H new ATOM 0 HE1 HIS A 397 -1.563 -1.879 1.522 1.00 0.00 H new ATOM 0 HE2 HIS A 397 -0.322 -3.850 2.549 1.00 0.00 H new ATOM 477 N TYR A 398 4.854 0.062 -0.291 1.00 0.00 N ATOM 478 CA TYR A 398 6.273 0.360 -0.441 1.00 0.00 C ATOM 479 C TYR A 398 7.113 -0.501 0.498 1.00 0.00 C ATOM 480 O TYR A 398 6.950 -0.450 1.718 1.00 0.00 O ATOM 481 CB TYR A 398 6.537 1.841 -0.166 1.00 0.00 C ATOM 482 CG TYR A 398 6.187 2.745 -1.327 1.00 0.00 C ATOM 483 CD1 TYR A 398 7.063 2.912 -2.392 1.00 0.00 C ATOM 484 CD2 TYR A 398 4.979 3.430 -1.360 1.00 0.00 C ATOM 485 CE1 TYR A 398 6.748 3.736 -3.454 1.00 0.00 C ATOM 486 CE2 TYR A 398 4.654 4.256 -2.419 1.00 0.00 C ATOM 487 CZ TYR A 398 5.542 4.406 -3.463 1.00 0.00 C ATOM 488 OH TYR A 398 5.224 5.228 -4.520 1.00 0.00 O ATOM 0 H TYR A 398 4.475 0.267 0.634 1.00 0.00 H new ATOM 0 HA TYR A 398 6.559 0.132 -1.468 1.00 0.00 H new ATOM 0 HB2 TYR A 398 5.962 2.148 0.708 1.00 0.00 H new ATOM 0 HB3 TYR A 398 7.590 1.974 0.082 1.00 0.00 H new ATOM 0 HD1 TYR A 398 8.007 2.388 -2.389 1.00 0.00 H new ATOM 0 HD2 TYR A 398 4.281 3.315 -0.544 1.00 0.00 H new ATOM 0 HE1 TYR A 398 7.442 3.855 -4.273 1.00 0.00 H new ATOM 0 HE2 TYR A 398 3.710 4.781 -2.429 1.00 0.00 H new ATOM 0 HH TYR A 398 4.984 6.116 -4.183 1.00 0.00 H new ATOM 498 N LEU A 399 8.013 -1.289 -0.079 1.00 0.00 N ATOM 499 CA LEU A 399 8.880 -2.162 0.704 1.00 0.00 C ATOM 500 C LEU A 399 9.879 -1.346 1.520 1.00 0.00 C ATOM 501 O LEU A 399 10.890 -0.879 0.995 1.00 0.00 O ATOM 502 CB LEU A 399 9.626 -3.131 -0.214 1.00 0.00 C ATOM 503 CG LEU A 399 10.546 -4.138 0.477 1.00 0.00 C ATOM 504 CD1 LEU A 399 9.752 -5.023 1.425 1.00 0.00 C ATOM 505 CD2 LEU A 399 11.282 -4.983 -0.553 1.00 0.00 C ATOM 0 H LEU A 399 8.161 -1.341 -1.087 1.00 0.00 H new ATOM 0 HA LEU A 399 8.255 -2.732 1.392 1.00 0.00 H new ATOM 0 HB2 LEU A 399 8.891 -3.683 -0.800 1.00 0.00 H new ATOM 0 HB3 LEU A 399 10.221 -2.548 -0.917 1.00 0.00 H new ATOM 0 HG LEU A 399 11.284 -3.586 1.059 1.00 0.00 H new ATOM 0 HD11 LEU A 399 10.423 -5.733 1.908 1.00 0.00 H new ATOM 0 HD12 LEU A 399 9.272 -4.405 2.183 1.00 0.00 H new ATOM 0 HD13 LEU A 399 8.991 -5.566 0.864 1.00 0.00 H new ATOM 0 HD21 LEU A 399 11.932 -5.694 -0.043 1.00 0.00 H new ATOM 0 HD22 LEU A 399 10.559 -5.525 -1.163 1.00 0.00 H new ATOM 0 HD23 LEU A 399 11.883 -4.336 -1.192 1.00 0.00 H new ATOM 517 N VAL A 400 9.590 -1.182 2.807 1.00 0.00 N ATOM 518 CA VAL A 400 10.464 -0.426 3.696 1.00 0.00 C ATOM 519 C VAL A 400 11.627 -1.283 4.183 1.00 0.00 C ATOM 520 O VAL A 400 11.426 -2.353 4.759 1.00 0.00 O ATOM 521 CB VAL A 400 9.693 0.114 4.915 1.00 0.00 C ATOM 522 CG1 VAL A 400 10.595 0.988 5.773 1.00 0.00 C ATOM 523 CG2 VAL A 400 8.460 0.885 4.466 1.00 0.00 C ATOM 0 H VAL A 400 8.758 -1.562 3.257 1.00 0.00 H new ATOM 0 HA VAL A 400 10.852 0.414 3.119 1.00 0.00 H new ATOM 0 HB VAL A 400 9.365 -0.732 5.520 1.00 0.00 H new ATOM 0 HG11 VAL A 400 10.033 1.360 6.629 1.00 0.00 H new ATOM 0 HG12 VAL A 400 11.444 0.401 6.124 1.00 0.00 H new ATOM 0 HG13 VAL A 400 10.955 1.830 5.182 1.00 0.00 H new ATOM 0 HG21 VAL A 400 7.927 1.260 5.340 1.00 0.00 H new ATOM 0 HG22 VAL A 400 8.763 1.723 3.839 1.00 0.00 H new ATOM 0 HG23 VAL A 400 7.805 0.225 3.897 1.00 0.00 H new ATOM 533 N LYS A 401 12.845 -0.807 3.948 1.00 0.00 N ATOM 534 CA LYS A 401 14.042 -1.528 4.364 1.00 0.00 C ATOM 535 C LYS A 401 14.612 -0.940 5.651 1.00 0.00 C ATOM 536 O LYS A 401 15.176 0.154 5.647 1.00 0.00 O ATOM 537 CB LYS A 401 15.099 -1.483 3.258 1.00 0.00 C ATOM 538 CG LYS A 401 15.983 -2.718 3.211 1.00 0.00 C ATOM 539 CD LYS A 401 17.150 -2.605 4.178 1.00 0.00 C ATOM 540 CE LYS A 401 17.750 -3.968 4.487 1.00 0.00 C ATOM 541 NZ LYS A 401 19.172 -3.863 4.916 1.00 0.00 N ATOM 0 H LYS A 401 13.029 0.076 3.471 1.00 0.00 H new ATOM 0 HA LYS A 401 13.765 -2.565 4.551 1.00 0.00 H new ATOM 0 HB2 LYS A 401 14.601 -1.366 2.296 1.00 0.00 H new ATOM 0 HB3 LYS A 401 15.726 -0.603 3.402 1.00 0.00 H new ATOM 0 HG2 LYS A 401 15.391 -3.600 3.455 1.00 0.00 H new ATOM 0 HG3 LYS A 401 16.361 -2.858 2.198 1.00 0.00 H new ATOM 0 HD2 LYS A 401 17.916 -1.957 3.752 1.00 0.00 H new ATOM 0 HD3 LYS A 401 16.814 -2.136 5.103 1.00 0.00 H new ATOM 0 HE2 LYS A 401 17.168 -4.451 5.272 1.00 0.00 H new ATOM 0 HE3 LYS A 401 17.683 -4.603 3.604 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 19.565 -4.816 5.052 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 19.719 -3.364 4.186 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 19.227 -3.335 5.810 1.00 0.00 H new ATOM 555 N TRP A 402 14.461 -1.673 6.748 1.00 0.00 N ATOM 556 CA TRP A 402 14.962 -1.224 8.042 1.00 0.00 C ATOM 557 C TRP A 402 15.881 -2.271 8.663 1.00 0.00 C ATOM 558 O TRP A 402 15.416 -3.231 9.278 1.00 0.00 O ATOM 559 CB TRP A 402 13.798 -0.924 8.987 1.00 0.00 C ATOM 560 CG TRP A 402 12.663 -1.895 8.858 1.00 0.00 C ATOM 561 CD1 TRP A 402 12.737 -3.190 8.431 1.00 0.00 C ATOM 562 CD2 TRP A 402 11.285 -1.648 9.158 1.00 0.00 C ATOM 563 NE1 TRP A 402 11.488 -3.763 8.447 1.00 0.00 N ATOM 564 CE2 TRP A 402 10.581 -2.838 8.890 1.00 0.00 C ATOM 565 CE3 TRP A 402 10.578 -0.538 9.628 1.00 0.00 C ATOM 566 CZ2 TRP A 402 9.205 -2.946 9.076 1.00 0.00 C ATOM 567 CZ3 TRP A 402 9.213 -0.646 9.812 1.00 0.00 C ATOM 568 CH2 TRP A 402 8.538 -1.843 9.537 1.00 0.00 C ATOM 0 H TRP A 402 13.996 -2.581 6.768 1.00 0.00 H new ATOM 0 HA TRP A 402 15.536 -0.311 7.884 1.00 0.00 H new ATOM 0 HB2 TRP A 402 14.161 -0.935 10.015 1.00 0.00 H new ATOM 0 HB3 TRP A 402 13.430 0.083 8.790 1.00 0.00 H new ATOM 0 HD1 TRP A 402 13.644 -3.690 8.126 1.00 0.00 H new ATOM 0 HE1 TRP A 402 11.272 -4.722 8.173 1.00 0.00 H new ATOM 0 HE3 TRP A 402 11.090 0.388 9.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 402 8.683 -3.867 8.864 1.00 0.00 H new ATOM 0 HZ3 TRP A 402 8.657 0.206 10.174 1.00 0.00 H new ATOM 0 HH2 TRP A 402 7.470 -1.896 9.692 1.00 0.00 H new ATOM 579 N CYS A 403 17.185 -2.079 8.498 1.00 0.00 N ATOM 580 CA CYS A 403 18.169 -3.008 9.043 1.00 0.00 C ATOM 581 C CYS A 403 17.751 -3.492 10.428 1.00 0.00 C ATOM 582 O CYS A 403 17.719 -4.693 10.694 1.00 0.00 O ATOM 583 CB CYS A 403 19.544 -2.343 9.114 1.00 0.00 C ATOM 584 SG CYS A 403 20.493 -2.443 7.578 1.00 0.00 S ATOM 0 H CYS A 403 17.585 -1.289 7.992 1.00 0.00 H new ATOM 0 HA CYS A 403 18.225 -3.871 8.379 1.00 0.00 H new ATOM 0 HB2 CYS A 403 19.415 -1.294 9.381 1.00 0.00 H new ATOM 0 HB3 CYS A 403 20.119 -2.807 9.915 1.00 0.00 H new ATOM 0 HG CYS A 403 21.639 -1.851 7.737 1.00 0.00 H new ATOM 590 N SER A 404 17.433 -2.547 11.308 1.00 0.00 N ATOM 591 CA SER A 404 17.023 -2.876 12.668 1.00 0.00 C ATOM 592 C SER A 404 16.248 -4.190 12.699 1.00 0.00 C ATOM 593 O SER A 404 16.413 -5.001 13.611 1.00 0.00 O ATOM 594 CB SER A 404 16.166 -1.751 13.251 1.00 0.00 C ATOM 595 OG SER A 404 16.009 -1.903 14.651 1.00 0.00 O ATOM 0 H SER A 404 17.452 -1.548 11.103 1.00 0.00 H new ATOM 0 HA SER A 404 17.921 -2.990 13.275 1.00 0.00 H new ATOM 0 HB2 SER A 404 16.629 -0.788 13.036 1.00 0.00 H new ATOM 0 HB3 SER A 404 15.188 -1.748 12.770 1.00 0.00 H new ATOM 0 HG SER A 404 15.459 -1.171 15.000 1.00 0.00 H new ATOM 601 N LEU A 405 15.402 -4.393 11.695 1.00 0.00 N ATOM 602 CA LEU A 405 14.599 -5.609 11.606 1.00 0.00 C ATOM 603 C LEU A 405 15.228 -6.606 10.637 1.00 0.00 C ATOM 604 O LEU A 405 16.011 -6.245 9.758 1.00 0.00 O ATOM 605 CB LEU A 405 13.176 -5.272 11.157 1.00 0.00 C ATOM 606 CG LEU A 405 12.237 -4.745 12.243 1.00 0.00 C ATOM 607 CD1 LEU A 405 11.065 -4.003 11.620 1.00 0.00 C ATOM 608 CD2 LEU A 405 11.744 -5.885 13.121 1.00 0.00 C ATOM 0 H LEU A 405 15.254 -3.733 10.932 1.00 0.00 H new ATOM 0 HA LEU A 405 14.563 -6.065 12.595 1.00 0.00 H new ATOM 0 HB2 LEU A 405 13.234 -4.528 10.362 1.00 0.00 H new ATOM 0 HB3 LEU A 405 12.731 -6.168 10.724 1.00 0.00 H new ATOM 0 HG LEU A 405 12.792 -4.046 12.869 1.00 0.00 H new ATOM 0 HD11 LEU A 405 10.407 -3.635 12.407 1.00 0.00 H new ATOM 0 HD12 LEU A 405 11.437 -3.162 11.035 1.00 0.00 H new ATOM 0 HD13 LEU A 405 10.510 -4.680 10.970 1.00 0.00 H new ATOM 0 HD21 LEU A 405 11.077 -5.491 13.888 1.00 0.00 H new ATOM 0 HD22 LEU A 405 11.206 -6.609 12.509 1.00 0.00 H new ATOM 0 HD23 LEU A 405 12.595 -6.373 13.596 1.00 0.00 H new ATOM 620 N PRO A 406 14.875 -7.890 10.798 1.00 0.00 N ATOM 621 CA PRO A 406 15.391 -8.965 9.946 1.00 0.00 C ATOM 622 C PRO A 406 14.843 -8.891 8.525 1.00 0.00 C ATOM 623 O PRO A 406 13.630 -8.897 8.316 1.00 0.00 O ATOM 624 CB PRO A 406 14.900 -10.237 10.643 1.00 0.00 C ATOM 625 CG PRO A 406 13.690 -9.810 11.400 1.00 0.00 C ATOM 626 CD PRO A 406 13.946 -8.391 11.825 1.00 0.00 C ATOM 0 HA PRO A 406 16.474 -8.914 9.836 1.00 0.00 H new ATOM 0 HB2 PRO A 406 14.660 -11.017 9.920 1.00 0.00 H new ATOM 0 HB3 PRO A 406 15.661 -10.643 11.309 1.00 0.00 H new ATOM 0 HG2 PRO A 406 12.797 -9.876 10.778 1.00 0.00 H new ATOM 0 HG3 PRO A 406 13.524 -10.452 12.265 1.00 0.00 H new ATOM 0 HD2 PRO A 406 13.026 -7.808 11.853 1.00 0.00 H new ATOM 0 HD3 PRO A 406 14.385 -8.343 12.822 1.00 0.00 H new ATOM 634 N TYR A 407 15.744 -8.822 7.551 1.00 0.00 N ATOM 635 CA TYR A 407 15.350 -8.745 6.149 1.00 0.00 C ATOM 636 C TYR A 407 14.173 -9.672 5.863 1.00 0.00 C ATOM 637 O TYR A 407 13.151 -9.246 5.326 1.00 0.00 O ATOM 638 CB TYR A 407 16.530 -9.107 5.246 1.00 0.00 C ATOM 639 CG TYR A 407 16.214 -9.015 3.770 1.00 0.00 C ATOM 640 CD1 TYR A 407 16.045 -7.782 3.152 1.00 0.00 C ATOM 641 CD2 TYR A 407 16.082 -10.160 2.995 1.00 0.00 C ATOM 642 CE1 TYR A 407 15.755 -7.692 1.804 1.00 0.00 C ATOM 643 CE2 TYR A 407 15.793 -10.080 1.646 1.00 0.00 C ATOM 644 CZ TYR A 407 15.631 -8.844 1.055 1.00 0.00 C ATOM 645 OH TYR A 407 15.342 -8.760 -0.287 1.00 0.00 O ATOM 0 H TYR A 407 16.752 -8.818 7.707 1.00 0.00 H new ATOM 0 HA TYR A 407 15.042 -7.721 5.940 1.00 0.00 H new ATOM 0 HB2 TYR A 407 17.366 -8.445 5.472 1.00 0.00 H new ATOM 0 HB3 TYR A 407 16.855 -10.121 5.477 1.00 0.00 H new ATOM 0 HD1 TYR A 407 16.142 -6.878 3.735 1.00 0.00 H new ATOM 0 HD2 TYR A 407 16.207 -11.129 3.454 1.00 0.00 H new ATOM 0 HE1 TYR A 407 15.626 -6.726 1.339 1.00 0.00 H new ATOM 0 HE2 TYR A 407 15.694 -10.980 1.058 1.00 0.00 H new ATOM 0 HH TYR A 407 15.290 -9.662 -0.667 1.00 0.00 H new ATOM 655 N GLU A 408 14.326 -10.942 6.226 1.00 0.00 N ATOM 656 CA GLU A 408 13.275 -11.930 6.007 1.00 0.00 C ATOM 657 C GLU A 408 11.899 -11.328 6.273 1.00 0.00 C ATOM 658 O GLU A 408 10.937 -11.616 5.561 1.00 0.00 O ATOM 659 CB GLU A 408 13.494 -13.147 6.909 1.00 0.00 C ATOM 660 CG GLU A 408 12.869 -14.423 6.370 1.00 0.00 C ATOM 661 CD GLU A 408 13.575 -14.941 5.132 1.00 0.00 C ATOM 662 OE1 GLU A 408 14.605 -15.631 5.282 1.00 0.00 O ATOM 663 OE2 GLU A 408 13.098 -14.656 4.014 1.00 0.00 O ATOM 0 H GLU A 408 15.166 -11.311 6.672 1.00 0.00 H new ATOM 0 HA GLU A 408 13.319 -12.246 4.965 1.00 0.00 H new ATOM 0 HB2 GLU A 408 14.565 -13.304 7.040 1.00 0.00 H new ATOM 0 HB3 GLU A 408 13.079 -12.937 7.895 1.00 0.00 H new ATOM 0 HG2 GLU A 408 12.892 -15.190 7.144 1.00 0.00 H new ATOM 0 HG3 GLU A 408 11.821 -14.239 6.135 1.00 0.00 H new ATOM 670 N GLU A 409 11.813 -10.490 7.302 1.00 0.00 N ATOM 671 CA GLU A 409 10.554 -9.849 7.662 1.00 0.00 C ATOM 672 C GLU A 409 10.328 -8.589 6.830 1.00 0.00 C ATOM 673 O GLU A 409 9.741 -7.617 7.304 1.00 0.00 O ATOM 674 CB GLU A 409 10.542 -9.499 9.151 1.00 0.00 C ATOM 675 CG GLU A 409 9.155 -9.522 9.770 1.00 0.00 C ATOM 676 CD GLU A 409 8.625 -10.930 9.963 1.00 0.00 C ATOM 677 OE1 GLU A 409 8.340 -11.600 8.948 1.00 0.00 O ATOM 678 OE2 GLU A 409 8.495 -11.362 11.127 1.00 0.00 O ATOM 0 H GLU A 409 12.600 -10.240 7.900 1.00 0.00 H new ATOM 0 HA GLU A 409 9.746 -10.551 7.455 1.00 0.00 H new ATOM 0 HB2 GLU A 409 11.181 -10.201 9.686 1.00 0.00 H new ATOM 0 HB3 GLU A 409 10.975 -8.508 9.286 1.00 0.00 H new ATOM 0 HG2 GLU A 409 9.183 -9.013 10.734 1.00 0.00 H new ATOM 0 HG3 GLU A 409 8.468 -8.963 9.134 1.00 0.00 H new ATOM 685 N SER A 410 10.800 -8.615 5.588 1.00 0.00 N ATOM 686 CA SER A 410 10.654 -7.474 4.691 1.00 0.00 C ATOM 687 C SER A 410 9.182 -7.196 4.402 1.00 0.00 C ATOM 688 O SER A 410 8.564 -7.858 3.568 1.00 0.00 O ATOM 689 CB SER A 410 11.403 -7.729 3.382 1.00 0.00 C ATOM 690 OG SER A 410 12.779 -7.417 3.513 1.00 0.00 O ATOM 0 H SER A 410 11.287 -9.413 5.180 1.00 0.00 H new ATOM 0 HA SER A 410 11.082 -6.600 5.182 1.00 0.00 H new ATOM 0 HB2 SER A 410 11.290 -8.774 3.092 1.00 0.00 H new ATOM 0 HB3 SER A 410 10.965 -7.128 2.585 1.00 0.00 H new ATOM 0 HG SER A 410 13.206 -8.064 4.112 1.00 0.00 H new ATOM 696 N THR A 411 8.625 -6.210 5.098 1.00 0.00 N ATOM 697 CA THR A 411 7.226 -5.843 4.919 1.00 0.00 C ATOM 698 C THR A 411 7.086 -4.655 3.974 1.00 0.00 C ATOM 699 O THR A 411 8.080 -4.111 3.494 1.00 0.00 O ATOM 700 CB THR A 411 6.559 -5.496 6.263 1.00 0.00 C ATOM 701 OG1 THR A 411 5.152 -5.302 6.077 1.00 0.00 O ATOM 702 CG2 THR A 411 7.173 -4.240 6.864 1.00 0.00 C ATOM 0 H THR A 411 9.122 -5.651 5.791 1.00 0.00 H new ATOM 0 HA THR A 411 6.725 -6.709 4.487 1.00 0.00 H new ATOM 0 HB THR A 411 6.724 -6.327 6.949 1.00 0.00 H new ATOM 0 HG1 THR A 411 4.735 -5.083 6.937 1.00 0.00 H new ATOM 0 HG21 THR A 411 6.686 -4.015 7.813 1.00 0.00 H new ATOM 0 HG22 THR A 411 8.238 -4.400 7.032 1.00 0.00 H new ATOM 0 HG23 THR A 411 7.036 -3.404 6.178 1.00 0.00 H new ATOM 710 N TRP A 412 5.846 -4.258 3.710 1.00 0.00 N ATOM 711 CA TRP A 412 5.577 -3.133 2.821 1.00 0.00 C ATOM 712 C TRP A 412 4.588 -2.162 3.457 1.00 0.00 C ATOM 713 O TRP A 412 3.377 -2.378 3.410 1.00 0.00 O ATOM 714 CB TRP A 412 5.031 -3.634 1.483 1.00 0.00 C ATOM 715 CG TRP A 412 5.804 -4.787 0.920 1.00 0.00 C ATOM 716 CD1 TRP A 412 6.089 -5.967 1.546 1.00 0.00 C ATOM 717 CD2 TRP A 412 6.394 -4.870 -0.382 1.00 0.00 C ATOM 718 NE1 TRP A 412 6.819 -6.778 0.712 1.00 0.00 N ATOM 719 CE2 TRP A 412 7.019 -6.129 -0.477 1.00 0.00 C ATOM 720 CE3 TRP A 412 6.452 -4.004 -1.478 1.00 0.00 C ATOM 721 CZ2 TRP A 412 7.694 -6.539 -1.624 1.00 0.00 C ATOM 722 CZ3 TRP A 412 7.123 -4.413 -2.615 1.00 0.00 C ATOM 723 CH2 TRP A 412 7.736 -5.672 -2.681 1.00 0.00 C ATOM 0 H TRP A 412 5.012 -4.698 4.098 1.00 0.00 H new ATOM 0 HA TRP A 412 6.515 -2.605 2.648 1.00 0.00 H new ATOM 0 HB2 TRP A 412 3.991 -3.932 1.612 1.00 0.00 H new ATOM 0 HB3 TRP A 412 5.041 -2.814 0.765 1.00 0.00 H new ATOM 0 HD1 TRP A 412 5.785 -6.225 2.550 1.00 0.00 H new ATOM 0 HE1 TRP A 412 7.157 -7.713 0.941 1.00 0.00 H new ATOM 0 HE3 TRP A 412 5.981 -3.033 -1.437 1.00 0.00 H new ATOM 0 HZ2 TRP A 412 8.168 -7.508 -1.677 1.00 0.00 H new ATOM 0 HZ3 TRP A 412 7.176 -3.751 -3.467 1.00 0.00 H new ATOM 0 HH2 TRP A 412 8.252 -5.963 -3.584 1.00 0.00 H new ATOM 734 N GLU A 413 5.112 -1.094 4.049 1.00 0.00 N ATOM 735 CA GLU A 413 4.273 -0.091 4.695 1.00 0.00 C ATOM 736 C GLU A 413 3.602 0.806 3.658 1.00 0.00 C ATOM 737 O GLU A 413 4.107 0.976 2.547 1.00 0.00 O ATOM 738 CB GLU A 413 5.104 0.759 5.658 1.00 0.00 C ATOM 739 CG GLU A 413 5.814 -0.054 6.728 1.00 0.00 C ATOM 740 CD GLU A 413 4.932 -0.334 7.929 1.00 0.00 C ATOM 741 OE1 GLU A 413 4.077 0.518 8.250 1.00 0.00 O ATOM 742 OE2 GLU A 413 5.096 -1.407 8.548 1.00 0.00 O ATOM 0 H GLU A 413 6.112 -0.901 4.095 1.00 0.00 H new ATOM 0 HA GLU A 413 3.498 -0.611 5.258 1.00 0.00 H new ATOM 0 HB2 GLU A 413 5.845 1.320 5.088 1.00 0.00 H new ATOM 0 HB3 GLU A 413 4.453 1.489 6.140 1.00 0.00 H new ATOM 0 HG2 GLU A 413 6.148 -0.999 6.299 1.00 0.00 H new ATOM 0 HG3 GLU A 413 6.706 0.481 7.054 1.00 0.00 H new ATOM 749 N LEU A 414 2.461 1.376 4.028 1.00 0.00 N ATOM 750 CA LEU A 414 1.719 2.256 3.131 1.00 0.00 C ATOM 751 C LEU A 414 2.522 3.513 2.814 1.00 0.00 C ATOM 752 O LEU A 414 3.365 3.937 3.603 1.00 0.00 O ATOM 753 CB LEU A 414 0.376 2.638 3.755 1.00 0.00 C ATOM 754 CG LEU A 414 -0.729 1.584 3.669 1.00 0.00 C ATOM 755 CD1 LEU A 414 -1.813 1.862 4.699 1.00 0.00 C ATOM 756 CD2 LEU A 414 -1.319 1.542 2.268 1.00 0.00 C ATOM 0 H LEU A 414 2.029 1.245 4.943 1.00 0.00 H new ATOM 0 HA LEU A 414 1.540 1.718 2.200 1.00 0.00 H new ATOM 0 HB2 LEU A 414 0.541 2.877 4.806 1.00 0.00 H new ATOM 0 HB3 LEU A 414 0.020 3.549 3.273 1.00 0.00 H new ATOM 0 HG LEU A 414 -0.292 0.609 3.886 1.00 0.00 H new ATOM 0 HD11 LEU A 414 -2.591 1.102 4.623 1.00 0.00 H new ATOM 0 HD12 LEU A 414 -1.379 1.839 5.699 1.00 0.00 H new ATOM 0 HD13 LEU A 414 -2.247 2.845 4.514 1.00 0.00 H new ATOM 0 HD21 LEU A 414 -2.103 0.786 2.226 1.00 0.00 H new ATOM 0 HD22 LEU A 414 -1.740 2.517 2.021 1.00 0.00 H new ATOM 0 HD23 LEU A 414 -0.537 1.293 1.551 1.00 0.00 H new ATOM 768 N GLU A 415 2.251 4.105 1.655 1.00 0.00 N ATOM 769 CA GLU A 415 2.948 5.316 1.235 1.00 0.00 C ATOM 770 C GLU A 415 2.831 6.406 2.296 1.00 0.00 C ATOM 771 O GLU A 415 3.746 7.209 2.479 1.00 0.00 O ATOM 772 CB GLU A 415 2.385 5.820 -0.095 1.00 0.00 C ATOM 773 CG GLU A 415 3.048 7.094 -0.593 1.00 0.00 C ATOM 774 CD GLU A 415 4.534 6.920 -0.841 1.00 0.00 C ATOM 775 OE1 GLU A 415 5.300 6.881 0.145 1.00 0.00 O ATOM 776 OE2 GLU A 415 4.930 6.823 -2.021 1.00 0.00 O ATOM 0 H GLU A 415 1.555 3.767 0.991 1.00 0.00 H new ATOM 0 HA GLU A 415 4.002 5.072 1.105 1.00 0.00 H new ATOM 0 HB2 GLU A 415 2.502 5.041 -0.848 1.00 0.00 H new ATOM 0 HB3 GLU A 415 1.315 5.997 0.017 1.00 0.00 H new ATOM 0 HG2 GLU A 415 2.564 7.414 -1.516 1.00 0.00 H new ATOM 0 HG3 GLU A 415 2.896 7.888 0.138 1.00 0.00 H new ATOM 783 N GLU A 416 1.698 6.428 2.992 1.00 0.00 N ATOM 784 CA GLU A 416 1.461 7.421 4.033 1.00 0.00 C ATOM 785 C GLU A 416 2.342 7.155 5.250 1.00 0.00 C ATOM 786 O GLU A 416 2.657 8.068 6.013 1.00 0.00 O ATOM 787 CB GLU A 416 -0.012 7.417 4.446 1.00 0.00 C ATOM 788 CG GLU A 416 -0.523 6.049 4.866 1.00 0.00 C ATOM 789 CD GLU A 416 -1.795 6.128 5.688 1.00 0.00 C ATOM 790 OE1 GLU A 416 -2.843 6.508 5.125 1.00 0.00 O ATOM 791 OE2 GLU A 416 -1.742 5.810 6.894 1.00 0.00 O ATOM 0 H GLU A 416 0.931 5.770 2.854 1.00 0.00 H new ATOM 0 HA GLU A 416 1.716 8.401 3.629 1.00 0.00 H new ATOM 0 HB2 GLU A 416 -0.151 8.116 5.270 1.00 0.00 H new ATOM 0 HB3 GLU A 416 -0.615 7.781 3.614 1.00 0.00 H new ATOM 0 HG2 GLU A 416 -0.706 5.445 3.977 1.00 0.00 H new ATOM 0 HG3 GLU A 416 0.248 5.539 5.444 1.00 0.00 H new ATOM 798 N ASP A 417 2.736 5.898 5.424 1.00 0.00 N ATOM 799 CA ASP A 417 3.581 5.510 6.547 1.00 0.00 C ATOM 800 C ASP A 417 5.055 5.731 6.220 1.00 0.00 C ATOM 801 O ASP A 417 5.863 6.010 7.105 1.00 0.00 O ATOM 802 CB ASP A 417 3.341 4.044 6.912 1.00 0.00 C ATOM 803 CG ASP A 417 2.012 3.831 7.608 1.00 0.00 C ATOM 804 OD1 ASP A 417 0.968 3.885 6.925 1.00 0.00 O ATOM 805 OD2 ASP A 417 2.015 3.610 8.837 1.00 0.00 O ATOM 0 H ASP A 417 2.484 5.130 4.801 1.00 0.00 H new ATOM 0 HA ASP A 417 3.319 6.136 7.400 1.00 0.00 H new ATOM 0 HB2 ASP A 417 3.375 3.437 6.007 1.00 0.00 H new ATOM 0 HB3 ASP A 417 4.147 3.697 7.559 1.00 0.00 H new ATOM 810 N VAL A 418 5.398 5.603 4.942 1.00 0.00 N ATOM 811 CA VAL A 418 6.774 5.789 4.497 1.00 0.00 C ATOM 812 C VAL A 418 7.076 7.261 4.244 1.00 0.00 C ATOM 813 O VAL A 418 6.237 7.997 3.722 1.00 0.00 O ATOM 814 CB VAL A 418 7.061 4.989 3.213 1.00 0.00 C ATOM 815 CG1 VAL A 418 8.439 5.332 2.667 1.00 0.00 C ATOM 816 CG2 VAL A 418 6.940 3.495 3.477 1.00 0.00 C ATOM 0 H VAL A 418 4.742 5.371 4.197 1.00 0.00 H new ATOM 0 HA VAL A 418 7.418 5.422 5.297 1.00 0.00 H new ATOM 0 HB VAL A 418 6.320 5.263 2.462 1.00 0.00 H new ATOM 0 HG11 VAL A 418 8.624 4.757 1.760 1.00 0.00 H new ATOM 0 HG12 VAL A 418 8.485 6.397 2.438 1.00 0.00 H new ATOM 0 HG13 VAL A 418 9.197 5.088 3.412 1.00 0.00 H new ATOM 0 HG21 VAL A 418 7.146 2.945 2.559 1.00 0.00 H new ATOM 0 HG22 VAL A 418 7.657 3.202 4.244 1.00 0.00 H new ATOM 0 HG23 VAL A 418 5.930 3.266 3.818 1.00 0.00 H new ATOM 826 N ASP A 419 8.278 7.685 4.617 1.00 0.00 N ATOM 827 CA ASP A 419 8.692 9.071 4.428 1.00 0.00 C ATOM 828 C ASP A 419 8.719 9.434 2.947 1.00 0.00 C ATOM 829 O ASP A 419 9.118 8.639 2.095 1.00 0.00 O ATOM 830 CB ASP A 419 10.072 9.302 5.048 1.00 0.00 C ATOM 831 CG ASP A 419 10.263 10.730 5.518 1.00 0.00 C ATOM 832 OD1 ASP A 419 9.496 11.173 6.398 1.00 0.00 O ATOM 833 OD2 ASP A 419 11.180 11.406 5.005 1.00 0.00 O ATOM 0 H ASP A 419 8.983 7.090 5.052 1.00 0.00 H new ATOM 0 HA ASP A 419 7.965 9.712 4.927 1.00 0.00 H new ATOM 0 HB2 ASP A 419 10.207 8.624 5.891 1.00 0.00 H new ATOM 0 HB3 ASP A 419 10.842 9.057 4.316 1.00 0.00 H new ATOM 838 N PRO A 420 8.284 10.662 2.630 1.00 0.00 N ATOM 839 CA PRO A 420 8.248 11.158 1.251 1.00 0.00 C ATOM 840 C PRO A 420 9.643 11.400 0.685 1.00 0.00 C ATOM 841 O PRO A 420 9.907 11.115 -0.482 1.00 0.00 O ATOM 842 CB PRO A 420 7.482 12.478 1.369 1.00 0.00 C ATOM 843 CG PRO A 420 7.702 12.920 2.775 1.00 0.00 C ATOM 844 CD PRO A 420 7.794 11.662 3.594 1.00 0.00 C ATOM 0 HA PRO A 420 7.787 10.441 0.572 1.00 0.00 H new ATOM 0 HB2 PRO A 420 7.854 13.217 0.659 1.00 0.00 H new ATOM 0 HB3 PRO A 420 6.421 12.340 1.159 1.00 0.00 H new ATOM 0 HG2 PRO A 420 8.615 13.509 2.861 1.00 0.00 H new ATOM 0 HG3 PRO A 420 6.882 13.551 3.119 1.00 0.00 H new ATOM 0 HD2 PRO A 420 8.478 11.779 4.434 1.00 0.00 H new ATOM 0 HD3 PRO A 420 6.826 11.380 4.008 1.00 0.00 H new ATOM 852 N ALA A 421 10.532 11.928 1.521 1.00 0.00 N ATOM 853 CA ALA A 421 11.901 12.205 1.104 1.00 0.00 C ATOM 854 C ALA A 421 12.605 10.932 0.649 1.00 0.00 C ATOM 855 O ALA A 421 13.426 10.957 -0.269 1.00 0.00 O ATOM 856 CB ALA A 421 12.674 12.863 2.237 1.00 0.00 C ATOM 0 H ALA A 421 10.328 12.172 2.490 1.00 0.00 H new ATOM 0 HA ALA A 421 11.865 12.890 0.257 1.00 0.00 H new ATOM 0 HB1 ALA A 421 13.695 13.064 1.912 1.00 0.00 H new ATOM 0 HB2 ALA A 421 12.189 13.800 2.512 1.00 0.00 H new ATOM 0 HB3 ALA A 421 12.693 12.197 3.100 1.00 0.00 H new ATOM 862 N LYS A 422 12.280 9.818 1.296 1.00 0.00 N ATOM 863 CA LYS A 422 12.881 8.533 0.958 1.00 0.00 C ATOM 864 C LYS A 422 12.429 8.067 -0.422 1.00 0.00 C ATOM 865 O LYS A 422 13.250 7.704 -1.265 1.00 0.00 O ATOM 866 CB LYS A 422 12.512 7.483 2.009 1.00 0.00 C ATOM 867 CG LYS A 422 13.466 7.443 3.190 1.00 0.00 C ATOM 868 CD LYS A 422 14.647 6.524 2.923 1.00 0.00 C ATOM 869 CE LYS A 422 15.673 7.185 2.015 1.00 0.00 C ATOM 870 NZ LYS A 422 15.402 6.906 0.578 1.00 0.00 N ATOM 0 H LYS A 422 11.603 9.779 2.058 1.00 0.00 H new ATOM 0 HA LYS A 422 13.964 8.659 0.943 1.00 0.00 H new ATOM 0 HB2 LYS A 422 11.505 7.684 2.373 1.00 0.00 H new ATOM 0 HB3 LYS A 422 12.490 6.501 1.537 1.00 0.00 H new ATOM 0 HG2 LYS A 422 13.828 8.449 3.401 1.00 0.00 H new ATOM 0 HG3 LYS A 422 12.933 7.103 4.078 1.00 0.00 H new ATOM 0 HD2 LYS A 422 15.118 6.251 3.867 1.00 0.00 H new ATOM 0 HD3 LYS A 422 14.294 5.601 2.464 1.00 0.00 H new ATOM 0 HE2 LYS A 422 15.667 8.262 2.183 1.00 0.00 H new ATOM 0 HE3 LYS A 422 16.670 6.828 2.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 422 16.094 6.216 0.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 422 14.442 6.518 0.475 1.00 0.00 H new ATOM 0 HZ3 LYS A 422 15.480 7.788 0.032 1.00 0.00 H new ATOM 884 N VAL A 423 11.119 8.081 -0.647 1.00 0.00 N ATOM 885 CA VAL A 423 10.559 7.663 -1.926 1.00 0.00 C ATOM 886 C VAL A 423 11.129 8.490 -3.073 1.00 0.00 C ATOM 887 O VAL A 423 11.710 7.950 -4.015 1.00 0.00 O ATOM 888 CB VAL A 423 9.023 7.786 -1.933 1.00 0.00 C ATOM 889 CG1 VAL A 423 8.465 7.426 -3.302 1.00 0.00 C ATOM 890 CG2 VAL A 423 8.414 6.906 -0.853 1.00 0.00 C ATOM 0 H VAL A 423 10.426 8.377 0.040 1.00 0.00 H new ATOM 0 HA VAL A 423 10.834 6.617 -2.065 1.00 0.00 H new ATOM 0 HB VAL A 423 8.758 8.821 -1.719 1.00 0.00 H new ATOM 0 HG11 VAL A 423 7.379 7.519 -3.288 1.00 0.00 H new ATOM 0 HG12 VAL A 423 8.877 8.101 -4.052 1.00 0.00 H new ATOM 0 HG13 VAL A 423 8.739 6.400 -3.548 1.00 0.00 H new ATOM 0 HG21 VAL A 423 7.329 7.005 -0.872 1.00 0.00 H new ATOM 0 HG22 VAL A 423 8.687 5.866 -1.034 1.00 0.00 H new ATOM 0 HG23 VAL A 423 8.789 7.215 0.123 1.00 0.00 H new ATOM 900 N LYS A 424 10.960 9.805 -2.988 1.00 0.00 N ATOM 901 CA LYS A 424 11.459 10.710 -4.017 1.00 0.00 C ATOM 902 C LYS A 424 12.774 10.200 -4.598 1.00 0.00 C ATOM 903 O LYS A 424 12.867 9.920 -5.792 1.00 0.00 O ATOM 904 CB LYS A 424 11.654 12.114 -3.440 1.00 0.00 C ATOM 905 CG LYS A 424 11.990 13.161 -4.488 1.00 0.00 C ATOM 906 CD LYS A 424 11.576 14.552 -4.038 1.00 0.00 C ATOM 907 CE LYS A 424 12.595 15.156 -3.084 1.00 0.00 C ATOM 908 NZ LYS A 424 12.322 16.595 -2.819 1.00 0.00 N ATOM 0 H LYS A 424 10.481 10.268 -2.216 1.00 0.00 H new ATOM 0 HA LYS A 424 10.721 10.753 -4.818 1.00 0.00 H new ATOM 0 HB2 LYS A 424 10.745 12.413 -2.918 1.00 0.00 H new ATOM 0 HB3 LYS A 424 12.452 12.085 -2.698 1.00 0.00 H new ATOM 0 HG2 LYS A 424 13.061 13.146 -4.688 1.00 0.00 H new ATOM 0 HG3 LYS A 424 11.487 12.915 -5.423 1.00 0.00 H new ATOM 0 HD2 LYS A 424 11.463 15.198 -4.908 1.00 0.00 H new ATOM 0 HD3 LYS A 424 10.603 14.503 -3.549 1.00 0.00 H new ATOM 0 HE2 LYS A 424 12.583 14.605 -2.144 1.00 0.00 H new ATOM 0 HE3 LYS A 424 13.595 15.048 -3.504 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 13.038 16.969 -2.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 12.358 17.126 -3.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 11.378 16.697 -2.394 1.00 0.00 H new ATOM 922 N GLU A 425 13.787 10.082 -3.745 1.00 0.00 N ATOM 923 CA GLU A 425 15.096 9.605 -4.175 1.00 0.00 C ATOM 924 C GLU A 425 14.965 8.329 -5.002 1.00 0.00 C ATOM 925 O GLU A 425 15.510 8.230 -6.101 1.00 0.00 O ATOM 926 CB GLU A 425 15.994 9.351 -2.963 1.00 0.00 C ATOM 927 CG GLU A 425 16.637 10.610 -2.408 1.00 0.00 C ATOM 928 CD GLU A 425 17.653 11.214 -3.358 1.00 0.00 C ATOM 929 OE1 GLU A 425 18.567 10.483 -3.794 1.00 0.00 O ATOM 930 OE2 GLU A 425 17.534 12.419 -3.665 1.00 0.00 O ATOM 0 H GLU A 425 13.726 10.310 -2.753 1.00 0.00 H new ATOM 0 HA GLU A 425 15.549 10.376 -4.798 1.00 0.00 H new ATOM 0 HB2 GLU A 425 15.405 8.878 -2.178 1.00 0.00 H new ATOM 0 HB3 GLU A 425 16.777 8.646 -3.243 1.00 0.00 H new ATOM 0 HG2 GLU A 425 15.862 11.346 -2.195 1.00 0.00 H new ATOM 0 HG3 GLU A 425 17.124 10.378 -1.461 1.00 0.00 H new ATOM 937 N PHE A 426 14.238 7.355 -4.465 1.00 0.00 N ATOM 938 CA PHE A 426 14.036 6.084 -5.151 1.00 0.00 C ATOM 939 C PHE A 426 13.430 6.303 -6.534 1.00 0.00 C ATOM 940 O PHE A 426 14.042 5.977 -7.550 1.00 0.00 O ATOM 941 CB PHE A 426 13.130 5.171 -4.323 1.00 0.00 C ATOM 942 CG PHE A 426 12.550 4.029 -5.108 1.00 0.00 C ATOM 943 CD1 PHE A 426 13.364 3.012 -5.580 1.00 0.00 C ATOM 944 CD2 PHE A 426 11.192 3.974 -5.374 1.00 0.00 C ATOM 945 CE1 PHE A 426 12.834 1.960 -6.303 1.00 0.00 C ATOM 946 CE2 PHE A 426 10.656 2.924 -6.095 1.00 0.00 C ATOM 947 CZ PHE A 426 11.478 1.917 -6.562 1.00 0.00 C ATOM 0 H PHE A 426 13.779 7.421 -3.557 1.00 0.00 H new ATOM 0 HA PHE A 426 15.008 5.606 -5.271 1.00 0.00 H new ATOM 0 HB2 PHE A 426 13.699 4.772 -3.484 1.00 0.00 H new ATOM 0 HB3 PHE A 426 12.317 5.763 -3.904 1.00 0.00 H new ATOM 0 HD1 PHE A 426 14.425 3.042 -5.381 1.00 0.00 H new ATOM 0 HD2 PHE A 426 10.545 4.760 -5.014 1.00 0.00 H new ATOM 0 HE1 PHE A 426 13.479 1.173 -6.665 1.00 0.00 H new ATOM 0 HE2 PHE A 426 9.595 2.891 -6.293 1.00 0.00 H new ATOM 0 HZ PHE A 426 11.061 1.097 -7.129 1.00 0.00 H new ATOM 957 N GLU A 427 12.221 6.856 -6.562 1.00 0.00 N ATOM 958 CA GLU A 427 11.531 7.117 -7.820 1.00 0.00 C ATOM 959 C GLU A 427 12.457 7.811 -8.815 1.00 0.00 C ATOM 960 O GLU A 427 12.628 7.352 -9.944 1.00 0.00 O ATOM 961 CB GLU A 427 10.289 7.977 -7.577 1.00 0.00 C ATOM 962 CG GLU A 427 9.091 7.188 -7.077 1.00 0.00 C ATOM 963 CD GLU A 427 7.774 7.883 -7.362 1.00 0.00 C ATOM 964 OE1 GLU A 427 7.652 9.082 -7.036 1.00 0.00 O ATOM 965 OE2 GLU A 427 6.864 7.227 -7.913 1.00 0.00 O ATOM 0 H GLU A 427 11.700 7.131 -5.729 1.00 0.00 H new ATOM 0 HA GLU A 427 11.225 6.160 -8.242 1.00 0.00 H new ATOM 0 HB2 GLU A 427 10.531 8.753 -6.851 1.00 0.00 H new ATOM 0 HB3 GLU A 427 10.020 8.482 -8.505 1.00 0.00 H new ATOM 0 HG2 GLU A 427 9.087 6.204 -7.546 1.00 0.00 H new ATOM 0 HG3 GLU A 427 9.188 7.029 -6.003 1.00 0.00 H new ATOM 972 N SER A 428 13.051 8.921 -8.387 1.00 0.00 N ATOM 973 CA SER A 428 13.955 9.681 -9.241 1.00 0.00 C ATOM 974 C SER A 428 15.101 8.804 -9.736 1.00 0.00 C ATOM 975 O SER A 428 15.457 8.834 -10.915 1.00 0.00 O ATOM 976 CB SER A 428 14.513 10.887 -8.482 1.00 0.00 C ATOM 977 OG SER A 428 15.447 10.483 -7.497 1.00 0.00 O ATOM 0 H SER A 428 12.922 9.313 -7.454 1.00 0.00 H new ATOM 0 HA SER A 428 13.390 10.032 -10.104 1.00 0.00 H new ATOM 0 HB2 SER A 428 14.992 11.571 -9.182 1.00 0.00 H new ATOM 0 HB3 SER A 428 13.696 11.433 -8.010 1.00 0.00 H new ATOM 0 HG SER A 428 15.241 9.570 -7.205 1.00 0.00 H new