USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=11 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 Single : A 385 HIS : no HD1:sc= -1.67! C(o=-1.7!,f=-3.1!) USER MOD Single : A 386 THR OG1 : rot 180:sc= -0.15 USER MOD Single : A 387 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 391 THR OG1 : rot 180:sc= -0.0502 USER MOD Single : A 396 THR OG1 : rot 180:sc= 0 USER MOD Single : A 397 HIS : no HD1:sc= -0.265 X(o=-0.26,f=0.051) USER MOD Single : A 398 TYR OH : rot 180:sc= 0 USER MOD Single : A 401 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 403 CYS SG : rot 180:sc= 0 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 180:sc= -0.589 USER MOD Single : A 411 THR OG1 : rot 180:sc= -0.376 USER MOD Single : A 422 LYS NZ :NH3+ -135:sc= -0.101 (180deg=-0.709) USER MOD Single : A 424 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 428 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 158 N VAL A 377 14.018 3.875 9.138 1.00 0.00 N ATOM 159 CA VAL A 377 14.029 3.328 7.786 1.00 0.00 C ATOM 160 C VAL A 377 15.391 3.517 7.127 1.00 0.00 C ATOM 161 O VAL A 377 15.795 4.641 6.826 1.00 0.00 O ATOM 162 CB VAL A 377 12.949 3.985 6.906 1.00 0.00 C ATOM 163 CG1 VAL A 377 13.148 3.609 5.446 1.00 0.00 C ATOM 164 CG2 VAL A 377 11.560 3.589 7.383 1.00 0.00 C ATOM 0 HA VAL A 377 13.817 2.263 7.874 1.00 0.00 H new ATOM 0 HB VAL A 377 13.043 5.067 6.993 1.00 0.00 H new ATOM 0 HG11 VAL A 377 12.376 4.082 4.840 1.00 0.00 H new ATOM 0 HG12 VAL A 377 14.129 3.948 5.113 1.00 0.00 H new ATOM 0 HG13 VAL A 377 13.082 2.526 5.337 1.00 0.00 H new ATOM 0 HG21 VAL A 377 10.809 4.062 6.750 1.00 0.00 H new ATOM 0 HG22 VAL A 377 11.451 2.506 7.327 1.00 0.00 H new ATOM 0 HG23 VAL A 377 11.423 3.915 8.414 1.00 0.00 H new ATOM 174 N ASP A 378 16.093 2.412 6.906 1.00 0.00 N ATOM 175 CA ASP A 378 17.410 2.456 6.281 1.00 0.00 C ATOM 176 C ASP A 378 17.311 2.941 4.838 1.00 0.00 C ATOM 177 O ASP A 378 18.051 3.832 4.420 1.00 0.00 O ATOM 178 CB ASP A 378 18.064 1.074 6.323 1.00 0.00 C ATOM 179 CG ASP A 378 19.555 1.130 6.051 1.00 0.00 C ATOM 180 OD1 ASP A 378 19.991 2.044 5.320 1.00 0.00 O ATOM 181 OD2 ASP A 378 20.285 0.261 6.570 1.00 0.00 O ATOM 0 H ASP A 378 15.773 1.475 7.150 1.00 0.00 H new ATOM 0 HA ASP A 378 18.027 3.159 6.840 1.00 0.00 H new ATOM 0 HB2 ASP A 378 17.893 0.624 7.301 1.00 0.00 H new ATOM 0 HB3 ASP A 378 17.587 0.427 5.586 1.00 0.00 H new ATOM 186 N ARG A 379 16.393 2.349 4.081 1.00 0.00 N ATOM 187 CA ARG A 379 16.198 2.720 2.685 1.00 0.00 C ATOM 188 C ARG A 379 15.005 1.980 2.087 1.00 0.00 C ATOM 189 O ARG A 379 14.292 1.262 2.789 1.00 0.00 O ATOM 190 CB ARG A 379 17.459 2.415 1.874 1.00 0.00 C ATOM 191 CG ARG A 379 17.920 0.971 1.984 1.00 0.00 C ATOM 192 CD ARG A 379 19.240 0.751 1.262 1.00 0.00 C ATOM 193 NE ARG A 379 20.381 1.180 2.066 1.00 0.00 N ATOM 194 CZ ARG A 379 20.930 0.436 3.020 1.00 0.00 C ATOM 195 NH1 ARG A 379 20.444 -0.768 3.288 1.00 0.00 N ATOM 196 NH2 ARG A 379 21.967 0.897 3.709 1.00 0.00 N ATOM 0 H ARG A 379 15.772 1.610 4.411 1.00 0.00 H new ATOM 0 HA ARG A 379 15.997 3.791 2.644 1.00 0.00 H new ATOM 0 HB2 ARG A 379 17.272 2.649 0.826 1.00 0.00 H new ATOM 0 HB3 ARG A 379 18.263 3.071 2.208 1.00 0.00 H new ATOM 0 HG2 ARG A 379 18.029 0.702 3.035 1.00 0.00 H new ATOM 0 HG3 ARG A 379 17.160 0.312 1.564 1.00 0.00 H new ATOM 0 HD2 ARG A 379 19.347 -0.305 1.016 1.00 0.00 H new ATOM 0 HD3 ARG A 379 19.234 1.299 0.320 1.00 0.00 H new ATOM 0 HE ARG A 379 20.778 2.102 1.885 1.00 0.00 H new ATOM 0 HH11 ARG A 379 19.647 -1.125 2.761 1.00 0.00 H new ATOM 0 HH12 ARG A 379 20.867 -1.337 4.021 1.00 0.00 H new ATOM 0 HH21 ARG A 379 22.343 1.823 3.506 1.00 0.00 H new ATOM 0 HH22 ARG A 379 22.388 0.325 4.441 1.00 0.00 H new ATOM 210 N ILE A 380 14.794 2.161 0.788 1.00 0.00 N ATOM 211 CA ILE A 380 13.688 1.511 0.096 1.00 0.00 C ATOM 212 C ILE A 380 14.197 0.525 -0.950 1.00 0.00 C ATOM 213 O ILE A 380 15.064 0.856 -1.760 1.00 0.00 O ATOM 214 CB ILE A 380 12.769 2.540 -0.588 1.00 0.00 C ATOM 215 CG1 ILE A 380 12.183 3.501 0.447 1.00 0.00 C ATOM 216 CG2 ILE A 380 11.658 1.833 -1.351 1.00 0.00 C ATOM 217 CD1 ILE A 380 11.388 4.635 -0.162 1.00 0.00 C ATOM 0 H ILE A 380 15.374 2.752 0.193 1.00 0.00 H new ATOM 0 HA ILE A 380 13.116 0.972 0.852 1.00 0.00 H new ATOM 0 HB ILE A 380 13.361 3.118 -1.298 1.00 0.00 H new ATOM 0 HG12 ILE A 380 11.540 2.942 1.127 1.00 0.00 H new ATOM 0 HG13 ILE A 380 12.994 3.917 1.045 1.00 0.00 H new ATOM 0 HG21 ILE A 380 11.017 2.573 -1.829 1.00 0.00 H new ATOM 0 HG22 ILE A 380 12.094 1.185 -2.112 1.00 0.00 H new ATOM 0 HG23 ILE A 380 11.066 1.233 -0.659 1.00 0.00 H new ATOM 0 HD11 ILE A 380 11.003 5.276 0.631 1.00 0.00 H new ATOM 0 HD12 ILE A 380 12.032 5.219 -0.820 1.00 0.00 H new ATOM 0 HD13 ILE A 380 10.556 4.228 -0.736 1.00 0.00 H new ATOM 229 N LEU A 381 13.652 -0.686 -0.929 1.00 0.00 N ATOM 230 CA LEU A 381 14.049 -1.720 -1.878 1.00 0.00 C ATOM 231 C LEU A 381 13.269 -1.592 -3.182 1.00 0.00 C ATOM 232 O LEU A 381 13.816 -1.184 -4.206 1.00 0.00 O ATOM 233 CB LEU A 381 13.827 -3.108 -1.272 1.00 0.00 C ATOM 234 CG LEU A 381 14.871 -3.570 -0.254 1.00 0.00 C ATOM 235 CD1 LEU A 381 14.364 -4.778 0.519 1.00 0.00 C ATOM 236 CD2 LEU A 381 16.186 -3.892 -0.948 1.00 0.00 C ATOM 0 H LEU A 381 12.934 -0.976 -0.265 1.00 0.00 H new ATOM 0 HA LEU A 381 15.109 -1.590 -2.096 1.00 0.00 H new ATOM 0 HB2 LEU A 381 12.849 -3.120 -0.791 1.00 0.00 H new ATOM 0 HB3 LEU A 381 13.792 -3.835 -2.083 1.00 0.00 H new ATOM 0 HG LEU A 381 15.046 -2.759 0.453 1.00 0.00 H new ATOM 0 HD11 LEU A 381 15.120 -5.093 1.239 1.00 0.00 H new ATOM 0 HD12 LEU A 381 13.448 -4.514 1.047 1.00 0.00 H new ATOM 0 HD13 LEU A 381 14.161 -5.594 -0.174 1.00 0.00 H new ATOM 0 HD21 LEU A 381 16.917 -4.219 -0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 381 16.027 -4.686 -1.677 1.00 0.00 H new ATOM 0 HD23 LEU A 381 16.557 -3.002 -1.456 1.00 0.00 H new ATOM 248 N GLU A 382 11.987 -1.942 -3.136 1.00 0.00 N ATOM 249 CA GLU A 382 11.132 -1.864 -4.314 1.00 0.00 C ATOM 250 C GLU A 382 9.730 -1.392 -3.939 1.00 0.00 C ATOM 251 O GLU A 382 9.387 -1.304 -2.760 1.00 0.00 O ATOM 252 CB GLU A 382 11.054 -3.226 -5.007 1.00 0.00 C ATOM 253 CG GLU A 382 12.168 -3.461 -6.014 1.00 0.00 C ATOM 254 CD GLU A 382 12.118 -2.489 -7.176 1.00 0.00 C ATOM 255 OE1 GLU A 382 12.659 -1.372 -7.037 1.00 0.00 O ATOM 256 OE2 GLU A 382 11.538 -2.844 -8.223 1.00 0.00 O ATOM 0 H GLU A 382 11.519 -2.282 -2.296 1.00 0.00 H new ATOM 0 HA GLU A 382 11.570 -1.139 -5.001 1.00 0.00 H new ATOM 0 HB2 GLU A 382 11.087 -4.011 -4.252 1.00 0.00 H new ATOM 0 HB3 GLU A 382 10.093 -3.312 -5.514 1.00 0.00 H new ATOM 0 HG2 GLU A 382 13.131 -3.372 -5.512 1.00 0.00 H new ATOM 0 HG3 GLU A 382 12.100 -4.480 -6.394 1.00 0.00 H new ATOM 263 N VAL A 383 8.924 -1.087 -4.951 1.00 0.00 N ATOM 264 CA VAL A 383 7.559 -0.624 -4.729 1.00 0.00 C ATOM 265 C VAL A 383 6.547 -1.569 -5.368 1.00 0.00 C ATOM 266 O VAL A 383 6.703 -1.976 -6.518 1.00 0.00 O ATOM 267 CB VAL A 383 7.349 0.793 -5.293 1.00 0.00 C ATOM 268 CG1 VAL A 383 7.565 0.807 -6.798 1.00 0.00 C ATOM 269 CG2 VAL A 383 5.960 1.305 -4.941 1.00 0.00 C ATOM 0 H VAL A 383 9.193 -1.152 -5.933 1.00 0.00 H new ATOM 0 HA VAL A 383 7.403 -0.605 -3.650 1.00 0.00 H new ATOM 0 HB VAL A 383 8.083 1.458 -4.839 1.00 0.00 H new ATOM 0 HG11 VAL A 383 7.412 1.817 -7.178 1.00 0.00 H new ATOM 0 HG12 VAL A 383 8.582 0.485 -7.023 1.00 0.00 H new ATOM 0 HG13 VAL A 383 6.856 0.129 -7.274 1.00 0.00 H new ATOM 0 HG21 VAL A 383 5.828 2.308 -5.347 1.00 0.00 H new ATOM 0 HG22 VAL A 383 5.208 0.640 -5.366 1.00 0.00 H new ATOM 0 HG23 VAL A 383 5.847 1.335 -3.857 1.00 0.00 H new ATOM 279 N ALA A 384 5.509 -1.914 -4.613 1.00 0.00 N ATOM 280 CA ALA A 384 4.470 -2.808 -5.106 1.00 0.00 C ATOM 281 C ALA A 384 3.092 -2.166 -4.991 1.00 0.00 C ATOM 282 O ALA A 384 2.654 -1.803 -3.898 1.00 0.00 O ATOM 283 CB ALA A 384 4.504 -4.127 -4.347 1.00 0.00 C ATOM 0 H ALA A 384 5.366 -1.587 -3.657 1.00 0.00 H new ATOM 0 HA ALA A 384 4.664 -3.003 -6.161 1.00 0.00 H new ATOM 0 HB1 ALA A 384 3.722 -4.785 -4.726 1.00 0.00 H new ATOM 0 HB2 ALA A 384 5.476 -4.601 -4.485 1.00 0.00 H new ATOM 0 HB3 ALA A 384 4.338 -3.941 -3.286 1.00 0.00 H new ATOM 289 N HIS A 385 2.412 -2.026 -6.125 1.00 0.00 N ATOM 290 CA HIS A 385 1.082 -1.426 -6.150 1.00 0.00 C ATOM 291 C HIS A 385 0.001 -2.502 -6.147 1.00 0.00 C ATOM 292 O HIS A 385 0.190 -3.591 -6.691 1.00 0.00 O ATOM 293 CB HIS A 385 0.926 -0.534 -7.382 1.00 0.00 C ATOM 294 CG HIS A 385 2.012 0.488 -7.523 1.00 0.00 C ATOM 295 ND1 HIS A 385 1.954 1.734 -6.936 1.00 0.00 N ATOM 296 CD2 HIS A 385 3.190 0.442 -8.188 1.00 0.00 C ATOM 297 CE1 HIS A 385 3.048 2.411 -7.235 1.00 0.00 C ATOM 298 NE2 HIS A 385 3.815 1.649 -7.994 1.00 0.00 N ATOM 0 H HIS A 385 2.760 -2.320 -7.038 1.00 0.00 H new ATOM 0 HA HIS A 385 0.967 -0.818 -5.253 1.00 0.00 H new ATOM 0 HB2 HIS A 385 0.910 -1.160 -8.274 1.00 0.00 H new ATOM 0 HB3 HIS A 385 -0.037 -0.025 -7.332 1.00 0.00 H new ATOM 0 HD2 HIS A 385 3.568 -0.390 -8.764 1.00 0.00 H new ATOM 0 HE1 HIS A 385 3.277 3.416 -6.914 1.00 0.00 H new ATOM 0 HE2 HIS A 385 4.724 1.914 -8.374 1.00 0.00 H new ATOM 306 N THR A 386 -1.134 -2.192 -5.528 1.00 0.00 N ATOM 307 CA THR A 386 -2.245 -3.132 -5.451 1.00 0.00 C ATOM 308 C THR A 386 -3.581 -2.400 -5.383 1.00 0.00 C ATOM 309 O THR A 386 -3.666 -1.288 -4.862 1.00 0.00 O ATOM 310 CB THR A 386 -2.116 -4.056 -4.225 1.00 0.00 C ATOM 311 OG1 THR A 386 -0.755 -4.475 -4.069 1.00 0.00 O ATOM 312 CG2 THR A 386 -3.014 -5.275 -4.369 1.00 0.00 C ATOM 0 H THR A 386 -1.308 -1.296 -5.072 1.00 0.00 H new ATOM 0 HA THR A 386 -2.210 -3.737 -6.357 1.00 0.00 H new ATOM 0 HB THR A 386 -2.428 -3.498 -3.342 1.00 0.00 H new ATOM 0 HG1 THR A 386 -0.681 -5.061 -3.287 1.00 0.00 H new ATOM 0 HG21 THR A 386 -2.906 -5.912 -3.491 1.00 0.00 H new ATOM 0 HG22 THR A 386 -4.052 -4.954 -4.458 1.00 0.00 H new ATOM 0 HG23 THR A 386 -2.729 -5.834 -5.261 1.00 0.00 H new ATOM 320 N LYS A 387 -4.623 -3.032 -5.912 1.00 0.00 N ATOM 321 CA LYS A 387 -5.957 -2.443 -5.910 1.00 0.00 C ATOM 322 C LYS A 387 -6.947 -3.340 -5.175 1.00 0.00 C ATOM 323 O LYS A 387 -6.864 -4.566 -5.252 1.00 0.00 O ATOM 324 CB LYS A 387 -6.434 -2.205 -7.344 1.00 0.00 C ATOM 325 CG LYS A 387 -7.431 -1.066 -7.473 1.00 0.00 C ATOM 326 CD LYS A 387 -7.941 -0.931 -8.898 1.00 0.00 C ATOM 327 CE LYS A 387 -8.931 -2.033 -9.243 1.00 0.00 C ATOM 328 NZ LYS A 387 -9.283 -2.029 -10.690 1.00 0.00 N ATOM 0 H LYS A 387 -4.569 -3.953 -6.348 1.00 0.00 H new ATOM 0 HA LYS A 387 -5.904 -1.487 -5.388 1.00 0.00 H new ATOM 0 HB2 LYS A 387 -5.570 -1.994 -7.975 1.00 0.00 H new ATOM 0 HB3 LYS A 387 -6.889 -3.120 -7.723 1.00 0.00 H new ATOM 0 HG2 LYS A 387 -8.271 -1.238 -6.800 1.00 0.00 H new ATOM 0 HG3 LYS A 387 -6.961 -0.133 -7.164 1.00 0.00 H new ATOM 0 HD2 LYS A 387 -8.418 0.041 -9.024 1.00 0.00 H new ATOM 0 HD3 LYS A 387 -7.100 -0.966 -9.591 1.00 0.00 H new ATOM 0 HE2 LYS A 387 -8.506 -3.000 -8.975 1.00 0.00 H new ATOM 0 HE3 LYS A 387 -9.836 -1.907 -8.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 387 -9.960 -2.794 -10.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 387 -9.712 -1.115 -10.940 1.00 0.00 H new ATOM 0 HZ3 LYS A 387 -8.423 -2.174 -11.257 1.00 0.00 H new ATOM 342 N ASP A 388 -7.885 -2.723 -4.465 1.00 0.00 N ATOM 343 CA ASP A 388 -8.893 -3.466 -3.718 1.00 0.00 C ATOM 344 C ASP A 388 -9.965 -4.017 -4.654 1.00 0.00 C ATOM 345 O ASP A 388 -10.268 -3.420 -5.686 1.00 0.00 O ATOM 346 CB ASP A 388 -9.535 -2.571 -2.657 1.00 0.00 C ATOM 347 CG ASP A 388 -8.744 -2.547 -1.364 1.00 0.00 C ATOM 348 OD1 ASP A 388 -7.498 -2.593 -1.430 1.00 0.00 O ATOM 349 OD2 ASP A 388 -9.371 -2.484 -0.286 1.00 0.00 O ATOM 0 H ASP A 388 -7.968 -1.709 -4.391 1.00 0.00 H new ATOM 0 HA ASP A 388 -8.401 -4.304 -3.225 1.00 0.00 H new ATOM 0 HB2 ASP A 388 -9.621 -1.556 -3.046 1.00 0.00 H new ATOM 0 HB3 ASP A 388 -10.547 -2.922 -2.454 1.00 0.00 H new ATOM 354 N ALA A 389 -10.534 -5.160 -4.285 1.00 0.00 N ATOM 355 CA ALA A 389 -11.572 -5.791 -5.090 1.00 0.00 C ATOM 356 C ALA A 389 -12.944 -5.623 -4.446 1.00 0.00 C ATOM 357 O ALA A 389 -13.894 -5.186 -5.095 1.00 0.00 O ATOM 358 CB ALA A 389 -11.260 -7.266 -5.292 1.00 0.00 C ATOM 0 H ALA A 389 -10.293 -5.668 -3.434 1.00 0.00 H new ATOM 0 HA ALA A 389 -11.592 -5.299 -6.062 1.00 0.00 H new ATOM 0 HB1 ALA A 389 -12.044 -7.724 -5.895 1.00 0.00 H new ATOM 0 HB2 ALA A 389 -10.302 -7.369 -5.803 1.00 0.00 H new ATOM 0 HB3 ALA A 389 -11.210 -7.763 -4.323 1.00 0.00 H new ATOM 364 N GLU A 390 -13.040 -5.972 -3.167 1.00 0.00 N ATOM 365 CA GLU A 390 -14.298 -5.861 -2.438 1.00 0.00 C ATOM 366 C GLU A 390 -14.836 -4.434 -2.497 1.00 0.00 C ATOM 367 O GLU A 390 -16.027 -4.216 -2.725 1.00 0.00 O ATOM 368 CB GLU A 390 -14.106 -6.285 -0.980 1.00 0.00 C ATOM 369 CG GLU A 390 -15.325 -6.033 -0.108 1.00 0.00 C ATOM 370 CD GLU A 390 -15.042 -6.246 1.366 1.00 0.00 C ATOM 371 OE1 GLU A 390 -14.490 -5.324 2.003 1.00 0.00 O ATOM 372 OE2 GLU A 390 -15.371 -7.334 1.883 1.00 0.00 O ATOM 0 H GLU A 390 -12.262 -6.334 -2.615 1.00 0.00 H new ATOM 0 HA GLU A 390 -15.023 -6.524 -2.910 1.00 0.00 H new ATOM 0 HB2 GLU A 390 -13.860 -7.346 -0.948 1.00 0.00 H new ATOM 0 HB3 GLU A 390 -13.254 -5.748 -0.563 1.00 0.00 H new ATOM 0 HG2 GLU A 390 -15.673 -5.012 -0.263 1.00 0.00 H new ATOM 0 HG3 GLU A 390 -16.133 -6.696 -0.419 1.00 0.00 H new ATOM 379 N THR A 391 -13.951 -3.464 -2.290 1.00 0.00 N ATOM 380 CA THR A 391 -14.336 -2.059 -2.318 1.00 0.00 C ATOM 381 C THR A 391 -13.976 -1.416 -3.653 1.00 0.00 C ATOM 382 O THR A 391 -14.833 -0.853 -4.333 1.00 0.00 O ATOM 383 CB THR A 391 -13.661 -1.268 -1.182 1.00 0.00 C ATOM 384 OG1 THR A 391 -12.251 -1.521 -1.180 1.00 0.00 O ATOM 385 CG2 THR A 391 -14.251 -1.649 0.167 1.00 0.00 C ATOM 0 H THR A 391 -12.962 -3.626 -2.101 1.00 0.00 H new ATOM 0 HA THR A 391 -15.417 -2.026 -2.181 1.00 0.00 H new ATOM 0 HB THR A 391 -13.839 -0.206 -1.352 1.00 0.00 H new ATOM 0 HG1 THR A 391 -11.829 -1.013 -0.456 1.00 0.00 H new ATOM 0 HG21 THR A 391 -13.759 -1.078 0.954 1.00 0.00 H new ATOM 0 HG22 THR A 391 -15.319 -1.429 0.172 1.00 0.00 H new ATOM 0 HG23 THR A 391 -14.099 -2.714 0.343 1.00 0.00 H new ATOM 393 N GLY A 392 -12.702 -1.507 -4.023 1.00 0.00 N ATOM 394 CA GLY A 392 -12.252 -0.930 -5.277 1.00 0.00 C ATOM 395 C GLY A 392 -11.107 0.046 -5.087 1.00 0.00 C ATOM 396 O GLY A 392 -10.142 0.035 -5.851 1.00 0.00 O ATOM 0 H GLY A 392 -11.974 -1.969 -3.478 1.00 0.00 H new ATOM 0 HA2 GLY A 392 -11.937 -1.729 -5.949 1.00 0.00 H new ATOM 0 HA3 GLY A 392 -13.086 -0.419 -5.758 1.00 0.00 H new ATOM 400 N GLU A 393 -11.216 0.893 -4.068 1.00 0.00 N ATOM 401 CA GLU A 393 -10.182 1.881 -3.784 1.00 0.00 C ATOM 402 C GLU A 393 -8.797 1.330 -4.113 1.00 0.00 C ATOM 403 O GLU A 393 -8.533 0.141 -3.937 1.00 0.00 O ATOM 404 CB GLU A 393 -10.239 2.302 -2.314 1.00 0.00 C ATOM 405 CG GLU A 393 -11.460 3.137 -1.967 1.00 0.00 C ATOM 406 CD GLU A 393 -11.254 4.614 -2.239 1.00 0.00 C ATOM 407 OE1 GLU A 393 -10.779 4.954 -3.343 1.00 0.00 O ATOM 408 OE2 GLU A 393 -11.568 5.431 -1.348 1.00 0.00 O ATOM 0 H GLU A 393 -12.009 0.915 -3.426 1.00 0.00 H new ATOM 0 HA GLU A 393 -10.366 2.753 -4.412 1.00 0.00 H new ATOM 0 HB2 GLU A 393 -10.230 1.409 -1.689 1.00 0.00 H new ATOM 0 HB3 GLU A 393 -9.340 2.870 -2.072 1.00 0.00 H new ATOM 0 HG2 GLU A 393 -12.314 2.781 -2.543 1.00 0.00 H new ATOM 0 HG3 GLU A 393 -11.704 2.996 -0.914 1.00 0.00 H new ATOM 415 N GLU A 394 -7.918 2.204 -4.593 1.00 0.00 N ATOM 416 CA GLU A 394 -6.561 1.805 -4.949 1.00 0.00 C ATOM 417 C GLU A 394 -5.648 1.835 -3.727 1.00 0.00 C ATOM 418 O GLU A 394 -5.895 2.570 -2.771 1.00 0.00 O ATOM 419 CB GLU A 394 -6.005 2.723 -6.038 1.00 0.00 C ATOM 420 CG GLU A 394 -5.786 4.154 -5.576 1.00 0.00 C ATOM 421 CD GLU A 394 -4.440 4.351 -4.906 1.00 0.00 C ATOM 422 OE1 GLU A 394 -3.408 4.209 -5.594 1.00 0.00 O ATOM 423 OE2 GLU A 394 -4.419 4.648 -3.693 1.00 0.00 O ATOM 0 H GLU A 394 -8.121 3.192 -4.744 1.00 0.00 H new ATOM 0 HA GLU A 394 -6.597 0.784 -5.329 1.00 0.00 H new ATOM 0 HB2 GLU A 394 -5.059 2.317 -6.395 1.00 0.00 H new ATOM 0 HB3 GLU A 394 -6.691 2.725 -6.885 1.00 0.00 H new ATOM 0 HG2 GLU A 394 -5.863 4.824 -6.432 1.00 0.00 H new ATOM 0 HG3 GLU A 394 -6.578 4.433 -4.881 1.00 0.00 H new ATOM 430 N VAL A 395 -4.590 1.030 -3.766 1.00 0.00 N ATOM 431 CA VAL A 395 -3.639 0.964 -2.663 1.00 0.00 C ATOM 432 C VAL A 395 -2.204 0.919 -3.177 1.00 0.00 C ATOM 433 O VAL A 395 -1.927 0.339 -4.228 1.00 0.00 O ATOM 434 CB VAL A 395 -3.894 -0.268 -1.775 1.00 0.00 C ATOM 435 CG1 VAL A 395 -2.901 -0.310 -0.623 1.00 0.00 C ATOM 436 CG2 VAL A 395 -5.324 -0.264 -1.257 1.00 0.00 C ATOM 0 H VAL A 395 -4.371 0.415 -4.550 1.00 0.00 H new ATOM 0 HA VAL A 395 -3.781 1.866 -2.068 1.00 0.00 H new ATOM 0 HB VAL A 395 -3.753 -1.165 -2.378 1.00 0.00 H new ATOM 0 HG11 VAL A 395 -3.096 -1.187 -0.006 1.00 0.00 H new ATOM 0 HG12 VAL A 395 -1.887 -0.363 -1.019 1.00 0.00 H new ATOM 0 HG13 VAL A 395 -3.008 0.590 -0.018 1.00 0.00 H new ATOM 0 HG21 VAL A 395 -5.487 -1.142 -0.631 1.00 0.00 H new ATOM 0 HG22 VAL A 395 -5.495 0.638 -0.669 1.00 0.00 H new ATOM 0 HG23 VAL A 395 -6.016 -0.285 -2.099 1.00 0.00 H new ATOM 446 N THR A 396 -1.293 1.533 -2.429 1.00 0.00 N ATOM 447 CA THR A 396 0.113 1.564 -2.809 1.00 0.00 C ATOM 448 C THR A 396 1.000 1.062 -1.675 1.00 0.00 C ATOM 449 O THR A 396 1.073 1.678 -0.611 1.00 0.00 O ATOM 450 CB THR A 396 0.558 2.985 -3.202 1.00 0.00 C ATOM 451 OG1 THR A 396 -0.381 3.556 -4.120 1.00 0.00 O ATOM 452 CG2 THR A 396 1.943 2.964 -3.832 1.00 0.00 C ATOM 0 H THR A 396 -1.504 2.016 -1.556 1.00 0.00 H new ATOM 0 HA THR A 396 0.222 0.906 -3.671 1.00 0.00 H new ATOM 0 HB THR A 396 0.597 3.593 -2.298 1.00 0.00 H new ATOM 0 HG1 THR A 396 -0.092 4.460 -4.364 1.00 0.00 H new ATOM 0 HG21 THR A 396 2.236 3.979 -4.101 1.00 0.00 H new ATOM 0 HG22 THR A 396 2.660 2.556 -3.120 1.00 0.00 H new ATOM 0 HG23 THR A 396 1.926 2.342 -4.727 1.00 0.00 H new ATOM 460 N HIS A 397 1.673 -0.060 -1.909 1.00 0.00 N ATOM 461 CA HIS A 397 2.557 -0.645 -0.907 1.00 0.00 C ATOM 462 C HIS A 397 4.015 -0.307 -1.204 1.00 0.00 C ATOM 463 O HIS A 397 4.431 -0.274 -2.363 1.00 0.00 O ATOM 464 CB HIS A 397 2.373 -2.162 -0.857 1.00 0.00 C ATOM 465 CG HIS A 397 1.174 -2.595 -0.071 1.00 0.00 C ATOM 466 ND1 HIS A 397 -0.108 -2.571 -0.580 1.00 0.00 N ATOM 467 CD2 HIS A 397 1.066 -3.065 1.194 1.00 0.00 C ATOM 468 CE1 HIS A 397 -0.951 -3.007 0.338 1.00 0.00 C ATOM 469 NE2 HIS A 397 -0.264 -3.314 1.424 1.00 0.00 N ATOM 0 H HIS A 397 1.623 -0.582 -2.784 1.00 0.00 H new ATOM 0 HA HIS A 397 2.295 -0.223 0.063 1.00 0.00 H new ATOM 0 HB2 HIS A 397 2.287 -2.543 -1.875 1.00 0.00 H new ATOM 0 HB3 HIS A 397 3.265 -2.614 -0.422 1.00 0.00 H new ATOM 0 HD2 HIS A 397 1.876 -3.216 1.892 1.00 0.00 H new ATOM 0 HE1 HIS A 397 -2.021 -3.097 0.221 1.00 0.00 H new ATOM 0 HE2 HIS A 397 -0.658 -3.677 2.292 1.00 0.00 H new ATOM 477 N TYR A 398 4.785 -0.055 -0.152 1.00 0.00 N ATOM 478 CA TYR A 398 6.195 0.285 -0.300 1.00 0.00 C ATOM 479 C TYR A 398 7.069 -0.639 0.543 1.00 0.00 C ATOM 480 O TYR A 398 6.938 -0.690 1.767 1.00 0.00 O ATOM 481 CB TYR A 398 6.436 1.741 0.101 1.00 0.00 C ATOM 482 CG TYR A 398 6.070 2.735 -0.978 1.00 0.00 C ATOM 483 CD1 TYR A 398 6.954 3.029 -2.009 1.00 0.00 C ATOM 484 CD2 TYR A 398 4.839 3.379 -0.968 1.00 0.00 C ATOM 485 CE1 TYR A 398 6.624 3.937 -2.996 1.00 0.00 C ATOM 486 CE2 TYR A 398 4.500 4.288 -1.952 1.00 0.00 C ATOM 487 CZ TYR A 398 5.396 4.563 -2.963 1.00 0.00 C ATOM 488 OH TYR A 398 5.063 5.467 -3.946 1.00 0.00 O ATOM 0 H TYR A 398 4.456 -0.080 0.813 1.00 0.00 H new ATOM 0 HA TYR A 398 6.466 0.155 -1.348 1.00 0.00 H new ATOM 0 HB2 TYR A 398 5.858 1.962 0.998 1.00 0.00 H new ATOM 0 HB3 TYR A 398 7.487 1.869 0.359 1.00 0.00 H new ATOM 0 HD1 TYR A 398 7.916 2.539 -2.039 1.00 0.00 H new ATOM 0 HD2 TYR A 398 4.135 3.165 -0.177 1.00 0.00 H new ATOM 0 HE1 TYR A 398 7.324 4.155 -3.789 1.00 0.00 H new ATOM 0 HE2 TYR A 398 3.539 4.780 -1.929 1.00 0.00 H new ATOM 0 HH TYR A 398 4.163 5.817 -3.777 1.00 0.00 H new ATOM 498 N LEU A 399 7.962 -1.366 -0.120 1.00 0.00 N ATOM 499 CA LEU A 399 8.860 -2.287 0.567 1.00 0.00 C ATOM 500 C LEU A 399 9.899 -1.527 1.385 1.00 0.00 C ATOM 501 O LEU A 399 10.939 -1.123 0.864 1.00 0.00 O ATOM 502 CB LEU A 399 9.557 -3.200 -0.443 1.00 0.00 C ATOM 503 CG LEU A 399 10.451 -4.293 0.144 1.00 0.00 C ATOM 504 CD1 LEU A 399 9.637 -5.239 1.012 1.00 0.00 C ATOM 505 CD2 LEU A 399 11.156 -5.058 -0.966 1.00 0.00 C ATOM 0 H LEU A 399 8.083 -1.335 -1.132 1.00 0.00 H new ATOM 0 HA LEU A 399 8.264 -2.896 1.247 1.00 0.00 H new ATOM 0 HB2 LEU A 399 8.794 -3.675 -1.060 1.00 0.00 H new ATOM 0 HB3 LEU A 399 10.162 -2.581 -1.105 1.00 0.00 H new ATOM 0 HG LEU A 399 11.208 -3.820 0.769 1.00 0.00 H new ATOM 0 HD11 LEU A 399 10.290 -6.010 1.421 1.00 0.00 H new ATOM 0 HD12 LEU A 399 9.179 -4.681 1.828 1.00 0.00 H new ATOM 0 HD13 LEU A 399 8.858 -5.706 0.410 1.00 0.00 H new ATOM 0 HD21 LEU A 399 11.788 -5.832 -0.530 1.00 0.00 H new ATOM 0 HD22 LEU A 399 10.414 -5.520 -1.618 1.00 0.00 H new ATOM 0 HD23 LEU A 399 11.772 -4.371 -1.547 1.00 0.00 H new ATOM 517 N VAL A 400 9.612 -1.338 2.669 1.00 0.00 N ATOM 518 CA VAL A 400 10.523 -0.630 3.559 1.00 0.00 C ATOM 519 C VAL A 400 11.690 -1.519 3.973 1.00 0.00 C ATOM 520 O VAL A 400 11.504 -2.689 4.311 1.00 0.00 O ATOM 521 CB VAL A 400 9.798 -0.131 4.824 1.00 0.00 C ATOM 522 CG1 VAL A 400 10.792 0.458 5.812 1.00 0.00 C ATOM 523 CG2 VAL A 400 8.730 0.888 4.458 1.00 0.00 C ATOM 0 H VAL A 400 8.756 -1.666 3.116 1.00 0.00 H new ATOM 0 HA VAL A 400 10.903 0.228 3.004 1.00 0.00 H new ATOM 0 HB VAL A 400 9.309 -0.981 5.301 1.00 0.00 H new ATOM 0 HG11 VAL A 400 10.261 0.805 6.699 1.00 0.00 H new ATOM 0 HG12 VAL A 400 11.516 -0.305 6.098 1.00 0.00 H new ATOM 0 HG13 VAL A 400 11.312 1.297 5.349 1.00 0.00 H new ATOM 0 HG21 VAL A 400 8.228 1.230 5.363 1.00 0.00 H new ATOM 0 HG22 VAL A 400 9.194 1.738 3.958 1.00 0.00 H new ATOM 0 HG23 VAL A 400 8.001 0.428 3.791 1.00 0.00 H new ATOM 533 N LYS A 401 12.894 -0.958 3.945 1.00 0.00 N ATOM 534 CA LYS A 401 14.093 -1.699 4.319 1.00 0.00 C ATOM 535 C LYS A 401 14.757 -1.077 5.543 1.00 0.00 C ATOM 536 O LYS A 401 15.474 -0.082 5.434 1.00 0.00 O ATOM 537 CB LYS A 401 15.081 -1.733 3.151 1.00 0.00 C ATOM 538 CG LYS A 401 16.453 -2.263 3.531 1.00 0.00 C ATOM 539 CD LYS A 401 16.465 -3.780 3.601 1.00 0.00 C ATOM 540 CE LYS A 401 17.849 -4.312 3.940 1.00 0.00 C ATOM 541 NZ LYS A 401 17.873 -5.800 4.000 1.00 0.00 N ATOM 0 H LYS A 401 13.066 0.008 3.667 1.00 0.00 H new ATOM 0 HA LYS A 401 13.798 -2.719 4.567 1.00 0.00 H new ATOM 0 HB2 LYS A 401 14.669 -2.353 2.355 1.00 0.00 H new ATOM 0 HB3 LYS A 401 15.189 -0.726 2.747 1.00 0.00 H new ATOM 0 HG2 LYS A 401 17.189 -1.926 2.801 1.00 0.00 H new ATOM 0 HG3 LYS A 401 16.749 -1.851 4.496 1.00 0.00 H new ATOM 0 HD2 LYS A 401 15.751 -4.116 4.353 1.00 0.00 H new ATOM 0 HD3 LYS A 401 16.140 -4.192 2.646 1.00 0.00 H new ATOM 0 HE2 LYS A 401 18.563 -3.967 3.192 1.00 0.00 H new ATOM 0 HE3 LYS A 401 18.170 -3.905 4.899 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 18.834 -6.123 4.234 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 17.210 -6.129 4.731 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 17.592 -6.189 3.077 1.00 0.00 H new ATOM 555 N TRP A 402 14.515 -1.670 6.707 1.00 0.00 N ATOM 556 CA TRP A 402 15.092 -1.174 7.952 1.00 0.00 C ATOM 557 C TRP A 402 16.031 -2.206 8.565 1.00 0.00 C ATOM 558 O TRP A 402 15.587 -3.162 9.202 1.00 0.00 O ATOM 559 CB TRP A 402 13.984 -0.820 8.945 1.00 0.00 C ATOM 560 CG TRP A 402 12.821 -1.765 8.900 1.00 0.00 C ATOM 561 CD1 TRP A 402 12.848 -3.080 8.533 1.00 0.00 C ATOM 562 CD2 TRP A 402 11.461 -1.466 9.233 1.00 0.00 C ATOM 563 NE1 TRP A 402 11.586 -3.617 8.616 1.00 0.00 N ATOM 564 CE2 TRP A 402 10.717 -2.648 9.044 1.00 0.00 C ATOM 565 CE3 TRP A 402 10.799 -0.317 9.673 1.00 0.00 C ATOM 566 CZ2 TRP A 402 9.347 -2.710 9.281 1.00 0.00 C ATOM 567 CZ3 TRP A 402 9.439 -0.380 9.907 1.00 0.00 C ATOM 568 CH2 TRP A 402 8.724 -1.569 9.711 1.00 0.00 C ATOM 0 H TRP A 402 13.924 -2.494 6.815 1.00 0.00 H new ATOM 0 HA TRP A 402 15.668 -0.276 7.726 1.00 0.00 H new ATOM 0 HB2 TRP A 402 14.398 -0.813 9.953 1.00 0.00 H new ATOM 0 HB3 TRP A 402 13.630 0.190 8.739 1.00 0.00 H new ATOM 0 HD1 TRP A 402 13.731 -3.619 8.223 1.00 0.00 H new ATOM 0 HE1 TRP A 402 11.336 -4.581 8.395 1.00 0.00 H new ATOM 0 HE3 TRP A 402 11.341 0.604 9.827 1.00 0.00 H new ATOM 0 HZ2 TRP A 402 8.795 -3.626 9.131 1.00 0.00 H new ATOM 0 HZ3 TRP A 402 8.918 0.503 10.247 1.00 0.00 H new ATOM 0 HH2 TRP A 402 7.661 -1.586 9.903 1.00 0.00 H new ATOM 579 N CYS A 403 17.330 -2.007 8.370 1.00 0.00 N ATOM 580 CA CYS A 403 18.333 -2.922 8.905 1.00 0.00 C ATOM 581 C CYS A 403 17.972 -3.356 10.321 1.00 0.00 C ATOM 582 O CYS A 403 17.927 -4.549 10.623 1.00 0.00 O ATOM 583 CB CYS A 403 19.712 -2.261 8.896 1.00 0.00 C ATOM 584 SG CYS A 403 21.076 -3.397 9.239 1.00 0.00 S ATOM 0 H CYS A 403 17.714 -1.221 7.846 1.00 0.00 H new ATOM 0 HA CYS A 403 18.359 -3.807 8.269 1.00 0.00 H new ATOM 0 HB2 CYS A 403 19.875 -1.798 7.923 1.00 0.00 H new ATOM 0 HB3 CYS A 403 19.725 -1.461 9.636 1.00 0.00 H new ATOM 0 HG CYS A 403 22.201 -2.746 9.208 1.00 0.00 H new ATOM 590 N SER A 404 17.717 -2.380 11.187 1.00 0.00 N ATOM 591 CA SER A 404 17.365 -2.661 12.574 1.00 0.00 C ATOM 592 C SER A 404 16.568 -3.958 12.680 1.00 0.00 C ATOM 593 O SER A 404 16.716 -4.714 13.641 1.00 0.00 O ATOM 594 CB SER A 404 16.558 -1.503 13.163 1.00 0.00 C ATOM 595 OG SER A 404 15.290 -1.396 12.538 1.00 0.00 O ATOM 0 H SER A 404 17.748 -1.388 10.952 1.00 0.00 H new ATOM 0 HA SER A 404 18.289 -2.775 13.141 1.00 0.00 H new ATOM 0 HB2 SER A 404 16.427 -1.654 14.234 1.00 0.00 H new ATOM 0 HB3 SER A 404 17.109 -0.571 13.038 1.00 0.00 H new ATOM 0 HG SER A 404 14.793 -0.650 12.933 1.00 0.00 H new ATOM 601 N LEU A 405 15.722 -4.208 11.687 1.00 0.00 N ATOM 602 CA LEU A 405 14.900 -5.413 11.667 1.00 0.00 C ATOM 603 C LEU A 405 15.465 -6.442 10.693 1.00 0.00 C ATOM 604 O LEU A 405 16.188 -6.111 9.752 1.00 0.00 O ATOM 605 CB LEU A 405 13.461 -5.066 11.282 1.00 0.00 C ATOM 606 CG LEU A 405 12.618 -4.399 12.368 1.00 0.00 C ATOM 607 CD1 LEU A 405 11.394 -3.732 11.760 1.00 0.00 C ATOM 608 CD2 LEU A 405 12.205 -5.415 13.423 1.00 0.00 C ATOM 0 H LEU A 405 15.587 -3.592 10.885 1.00 0.00 H new ATOM 0 HA LEU A 405 14.908 -5.845 12.668 1.00 0.00 H new ATOM 0 HB2 LEU A 405 13.487 -4.407 10.414 1.00 0.00 H new ATOM 0 HB3 LEU A 405 12.958 -5.982 10.971 1.00 0.00 H new ATOM 0 HG LEU A 405 13.223 -3.631 12.849 1.00 0.00 H new ATOM 0 HD11 LEU A 405 10.806 -3.263 12.549 1.00 0.00 H new ATOM 0 HD12 LEU A 405 11.711 -2.974 11.044 1.00 0.00 H new ATOM 0 HD13 LEU A 405 10.787 -4.481 11.251 1.00 0.00 H new ATOM 0 HD21 LEU A 405 11.605 -4.922 14.188 1.00 0.00 H new ATOM 0 HD22 LEU A 405 11.618 -6.206 12.956 1.00 0.00 H new ATOM 0 HD23 LEU A 405 13.095 -5.846 13.881 1.00 0.00 H new ATOM 620 N PRO A 406 15.128 -7.720 10.920 1.00 0.00 N ATOM 621 CA PRO A 406 15.589 -8.823 10.071 1.00 0.00 C ATOM 622 C PRO A 406 14.948 -8.797 8.688 1.00 0.00 C ATOM 623 O PRO A 406 13.723 -8.781 8.561 1.00 0.00 O ATOM 624 CB PRO A 406 15.149 -10.070 10.841 1.00 0.00 C ATOM 625 CG PRO A 406 13.990 -9.620 11.663 1.00 0.00 C ATOM 626 CD PRO A 406 14.270 -8.186 12.022 1.00 0.00 C ATOM 0 HA PRO A 406 16.662 -8.775 9.887 1.00 0.00 H new ATOM 0 HB2 PRO A 406 14.864 -10.874 10.162 1.00 0.00 H new ATOM 0 HB3 PRO A 406 15.954 -10.452 11.468 1.00 0.00 H new ATOM 0 HG2 PRO A 406 13.058 -9.708 11.105 1.00 0.00 H new ATOM 0 HG3 PRO A 406 13.885 -10.233 12.558 1.00 0.00 H new ATOM 0 HD2 PRO A 406 13.352 -7.602 12.091 1.00 0.00 H new ATOM 0 HD3 PRO A 406 14.773 -8.104 12.985 1.00 0.00 H new ATOM 634 N TYR A 407 15.782 -8.794 7.655 1.00 0.00 N ATOM 635 CA TYR A 407 15.297 -8.768 6.280 1.00 0.00 C ATOM 636 C TYR A 407 14.121 -9.723 6.100 1.00 0.00 C ATOM 637 O TYR A 407 13.046 -9.323 5.655 1.00 0.00 O ATOM 638 CB TYR A 407 16.422 -9.138 5.312 1.00 0.00 C ATOM 639 CG TYR A 407 15.934 -9.514 3.932 1.00 0.00 C ATOM 640 CD1 TYR A 407 15.729 -8.544 2.958 1.00 0.00 C ATOM 641 CD2 TYR A 407 15.677 -10.839 3.601 1.00 0.00 C ATOM 642 CE1 TYR A 407 15.282 -8.883 1.695 1.00 0.00 C ATOM 643 CE2 TYR A 407 15.232 -11.187 2.340 1.00 0.00 C ATOM 644 CZ TYR A 407 15.036 -10.206 1.391 1.00 0.00 C ATOM 645 OH TYR A 407 14.591 -10.548 0.135 1.00 0.00 O ATOM 0 H TYR A 407 16.798 -8.809 7.743 1.00 0.00 H new ATOM 0 HA TYR A 407 14.957 -7.756 6.061 1.00 0.00 H new ATOM 0 HB2 TYR A 407 17.109 -8.296 5.228 1.00 0.00 H new ATOM 0 HB3 TYR A 407 16.988 -9.972 5.728 1.00 0.00 H new ATOM 0 HD1 TYR A 407 15.922 -7.508 3.192 1.00 0.00 H new ATOM 0 HD2 TYR A 407 15.828 -11.610 4.342 1.00 0.00 H new ATOM 0 HE1 TYR A 407 15.126 -8.117 0.950 1.00 0.00 H new ATOM 0 HE2 TYR A 407 15.039 -12.222 2.099 1.00 0.00 H new ATOM 0 HH TYR A 407 14.468 -11.519 0.085 1.00 0.00 H new ATOM 655 N GLU A 408 14.335 -10.988 6.450 1.00 0.00 N ATOM 656 CA GLU A 408 13.294 -12.001 6.326 1.00 0.00 C ATOM 657 C GLU A 408 11.927 -11.421 6.678 1.00 0.00 C ATOM 658 O GLU A 408 10.908 -11.820 6.115 1.00 0.00 O ATOM 659 CB GLU A 408 13.602 -13.194 7.232 1.00 0.00 C ATOM 660 CG GLU A 408 12.582 -14.316 7.131 1.00 0.00 C ATOM 661 CD GLU A 408 12.867 -15.453 8.092 1.00 0.00 C ATOM 662 OE1 GLU A 408 13.764 -16.270 7.796 1.00 0.00 O ATOM 663 OE2 GLU A 408 12.193 -15.525 9.141 1.00 0.00 O ATOM 0 H GLU A 408 15.219 -11.335 6.821 1.00 0.00 H new ATOM 0 HA GLU A 408 13.271 -12.338 5.290 1.00 0.00 H new ATOM 0 HB2 GLU A 408 14.587 -13.586 6.979 1.00 0.00 H new ATOM 0 HB3 GLU A 408 13.651 -12.851 8.266 1.00 0.00 H new ATOM 0 HG2 GLU A 408 11.588 -13.917 7.331 1.00 0.00 H new ATOM 0 HG3 GLU A 408 12.571 -14.701 6.111 1.00 0.00 H new ATOM 670 N GLU A 409 11.914 -10.477 7.615 1.00 0.00 N ATOM 671 CA GLU A 409 10.672 -9.844 8.043 1.00 0.00 C ATOM 672 C GLU A 409 10.424 -8.554 7.267 1.00 0.00 C ATOM 673 O GLU A 409 9.957 -7.561 7.826 1.00 0.00 O ATOM 674 CB GLU A 409 10.715 -9.549 9.544 1.00 0.00 C ATOM 675 CG GLU A 409 10.503 -10.778 10.412 1.00 0.00 C ATOM 676 CD GLU A 409 9.362 -11.648 9.923 1.00 0.00 C ATOM 677 OE1 GLU A 409 8.197 -11.208 10.020 1.00 0.00 O ATOM 678 OE2 GLU A 409 9.632 -12.769 9.443 1.00 0.00 O ATOM 0 H GLU A 409 12.748 -10.135 8.091 1.00 0.00 H new ATOM 0 HA GLU A 409 9.853 -10.534 7.839 1.00 0.00 H new ATOM 0 HB2 GLU A 409 11.678 -9.102 9.790 1.00 0.00 H new ATOM 0 HB3 GLU A 409 9.950 -8.810 9.783 1.00 0.00 H new ATOM 0 HG2 GLU A 409 11.420 -11.366 10.432 1.00 0.00 H new ATOM 0 HG3 GLU A 409 10.302 -10.464 11.436 1.00 0.00 H new ATOM 685 N SER A 410 10.740 -8.576 5.976 1.00 0.00 N ATOM 686 CA SER A 410 10.555 -7.408 5.124 1.00 0.00 C ATOM 687 C SER A 410 9.074 -7.164 4.849 1.00 0.00 C ATOM 688 O SER A 410 8.426 -7.934 4.140 1.00 0.00 O ATOM 689 CB SER A 410 11.307 -7.590 3.804 1.00 0.00 C ATOM 690 OG SER A 410 11.673 -6.338 3.249 1.00 0.00 O ATOM 0 H SER A 410 11.125 -9.390 5.498 1.00 0.00 H new ATOM 0 HA SER A 410 10.957 -6.540 5.647 1.00 0.00 H new ATOM 0 HB2 SER A 410 12.200 -8.193 3.971 1.00 0.00 H new ATOM 0 HB3 SER A 410 10.681 -8.136 3.098 1.00 0.00 H new ATOM 0 HG SER A 410 12.154 -6.481 2.407 1.00 0.00 H new ATOM 696 N THR A 411 8.544 -6.085 5.417 1.00 0.00 N ATOM 697 CA THR A 411 7.140 -5.738 5.236 1.00 0.00 C ATOM 698 C THR A 411 6.982 -4.575 4.264 1.00 0.00 C ATOM 699 O THR A 411 7.943 -3.864 3.970 1.00 0.00 O ATOM 700 CB THR A 411 6.476 -5.367 6.575 1.00 0.00 C ATOM 701 OG1 THR A 411 5.145 -4.889 6.347 1.00 0.00 O ATOM 702 CG2 THR A 411 7.283 -4.302 7.303 1.00 0.00 C ATOM 0 H THR A 411 9.066 -5.437 6.006 1.00 0.00 H new ATOM 0 HA THR A 411 6.647 -6.620 4.826 1.00 0.00 H new ATOM 0 HB THR A 411 6.439 -6.262 7.196 1.00 0.00 H new ATOM 0 HG1 THR A 411 4.729 -4.657 7.204 1.00 0.00 H new ATOM 0 HG21 THR A 411 6.794 -4.056 8.246 1.00 0.00 H new ATOM 0 HG22 THR A 411 8.286 -4.678 7.502 1.00 0.00 H new ATOM 0 HG23 THR A 411 7.347 -3.407 6.684 1.00 0.00 H new ATOM 710 N TRP A 412 5.764 -4.386 3.768 1.00 0.00 N ATOM 711 CA TRP A 412 5.481 -3.307 2.828 1.00 0.00 C ATOM 712 C TRP A 412 4.541 -2.278 3.448 1.00 0.00 C ATOM 713 O TRP A 412 3.321 -2.422 3.383 1.00 0.00 O ATOM 714 CB TRP A 412 4.867 -3.869 1.545 1.00 0.00 C ATOM 715 CG TRP A 412 5.589 -5.073 1.019 1.00 0.00 C ATOM 716 CD1 TRP A 412 5.775 -6.263 1.663 1.00 0.00 C ATOM 717 CD2 TRP A 412 6.221 -5.203 -0.259 1.00 0.00 C ATOM 718 NE1 TRP A 412 6.486 -7.124 0.863 1.00 0.00 N ATOM 719 CE2 TRP A 412 6.770 -6.499 -0.322 1.00 0.00 C ATOM 720 CE3 TRP A 412 6.375 -4.352 -1.356 1.00 0.00 C ATOM 721 CZ2 TRP A 412 7.462 -6.960 -1.439 1.00 0.00 C ATOM 722 CZ3 TRP A 412 7.062 -4.811 -2.464 1.00 0.00 C ATOM 723 CH2 TRP A 412 7.598 -6.105 -2.499 1.00 0.00 C ATOM 0 H TRP A 412 4.957 -4.965 4.001 1.00 0.00 H new ATOM 0 HA TRP A 412 6.422 -2.813 2.586 1.00 0.00 H new ATOM 0 HB2 TRP A 412 3.826 -4.132 1.734 1.00 0.00 H new ATOM 0 HB3 TRP A 412 4.866 -3.092 0.781 1.00 0.00 H new ATOM 0 HD1 TRP A 412 5.416 -6.493 2.655 1.00 0.00 H new ATOM 0 HE1 TRP A 412 6.758 -8.075 1.111 1.00 0.00 H new ATOM 0 HE3 TRP A 412 5.965 -3.353 -1.339 1.00 0.00 H new ATOM 0 HZ2 TRP A 412 7.877 -7.957 -1.468 1.00 0.00 H new ATOM 0 HZ3 TRP A 412 7.188 -4.161 -3.317 1.00 0.00 H new ATOM 0 HH2 TRP A 412 8.129 -6.434 -3.380 1.00 0.00 H new ATOM 734 N GLU A 413 5.118 -1.241 4.047 1.00 0.00 N ATOM 735 CA GLU A 413 4.330 -0.190 4.678 1.00 0.00 C ATOM 736 C GLU A 413 3.620 0.662 3.630 1.00 0.00 C ATOM 737 O GLU A 413 4.106 0.820 2.509 1.00 0.00 O ATOM 738 CB GLU A 413 5.225 0.695 5.549 1.00 0.00 C ATOM 739 CG GLU A 413 5.996 -0.074 6.608 1.00 0.00 C ATOM 740 CD GLU A 413 5.142 -0.432 7.808 1.00 0.00 C ATOM 741 OE1 GLU A 413 4.494 0.476 8.368 1.00 0.00 O ATOM 742 OE2 GLU A 413 5.121 -1.622 8.187 1.00 0.00 O ATOM 0 H GLU A 413 6.127 -1.107 4.108 1.00 0.00 H new ATOM 0 HA GLU A 413 3.576 -0.664 5.307 1.00 0.00 H new ATOM 0 HB2 GLU A 413 5.932 1.224 4.909 1.00 0.00 H new ATOM 0 HB3 GLU A 413 4.610 1.451 6.037 1.00 0.00 H new ATOM 0 HG2 GLU A 413 6.398 -0.987 6.168 1.00 0.00 H new ATOM 0 HG3 GLU A 413 6.847 0.523 6.937 1.00 0.00 H new ATOM 749 N LEU A 414 2.468 1.208 4.002 1.00 0.00 N ATOM 750 CA LEU A 414 1.689 2.044 3.094 1.00 0.00 C ATOM 751 C LEU A 414 2.448 3.318 2.741 1.00 0.00 C ATOM 752 O LEU A 414 3.394 3.699 3.429 1.00 0.00 O ATOM 753 CB LEU A 414 0.341 2.397 3.725 1.00 0.00 C ATOM 754 CG LEU A 414 -0.466 1.226 4.285 1.00 0.00 C ATOM 755 CD1 LEU A 414 -1.691 1.730 5.031 1.00 0.00 C ATOM 756 CD2 LEU A 414 -0.873 0.276 3.168 1.00 0.00 C ATOM 0 H LEU A 414 2.052 1.087 4.926 1.00 0.00 H new ATOM 0 HA LEU A 414 1.517 1.480 2.177 1.00 0.00 H new ATOM 0 HB2 LEU A 414 0.515 3.110 4.531 1.00 0.00 H new ATOM 0 HB3 LEU A 414 -0.266 2.905 2.976 1.00 0.00 H new ATOM 0 HG LEU A 414 0.163 0.680 4.988 1.00 0.00 H new ATOM 0 HD11 LEU A 414 -2.253 0.882 5.422 1.00 0.00 H new ATOM 0 HD12 LEU A 414 -1.377 2.369 5.856 1.00 0.00 H new ATOM 0 HD13 LEU A 414 -2.323 2.301 4.350 1.00 0.00 H new ATOM 0 HD21 LEU A 414 -1.447 -0.552 3.585 1.00 0.00 H new ATOM 0 HD22 LEU A 414 -1.484 0.810 2.440 1.00 0.00 H new ATOM 0 HD23 LEU A 414 0.020 -0.112 2.677 1.00 0.00 H new ATOM 768 N GLU A 415 2.026 3.974 1.664 1.00 0.00 N ATOM 769 CA GLU A 415 2.666 5.207 1.221 1.00 0.00 C ATOM 770 C GLU A 415 2.593 6.278 2.305 1.00 0.00 C ATOM 771 O GLU A 415 3.517 7.074 2.468 1.00 0.00 O ATOM 772 CB GLU A 415 2.006 5.718 -0.061 1.00 0.00 C ATOM 773 CG GLU A 415 2.774 6.842 -0.735 1.00 0.00 C ATOM 774 CD GLU A 415 2.519 8.191 -0.091 1.00 0.00 C ATOM 775 OE1 GLU A 415 1.388 8.416 0.387 1.00 0.00 O ATOM 776 OE2 GLU A 415 3.452 9.021 -0.065 1.00 0.00 O ATOM 0 H GLU A 415 1.244 3.672 1.083 1.00 0.00 H new ATOM 0 HA GLU A 415 3.715 4.989 1.020 1.00 0.00 H new ATOM 0 HB2 GLU A 415 1.902 4.889 -0.761 1.00 0.00 H new ATOM 0 HB3 GLU A 415 1.000 6.066 0.172 1.00 0.00 H new ATOM 0 HG2 GLU A 415 3.841 6.622 -0.697 1.00 0.00 H new ATOM 0 HG3 GLU A 415 2.495 6.888 -1.788 1.00 0.00 H new ATOM 783 N GLU A 416 1.488 6.289 3.044 1.00 0.00 N ATOM 784 CA GLU A 416 1.294 7.263 4.112 1.00 0.00 C ATOM 785 C GLU A 416 2.256 7.002 5.268 1.00 0.00 C ATOM 786 O GLU A 416 2.710 7.933 5.934 1.00 0.00 O ATOM 787 CB GLU A 416 -0.150 7.220 4.616 1.00 0.00 C ATOM 788 CG GLU A 416 -0.617 5.827 5.006 1.00 0.00 C ATOM 789 CD GLU A 416 -1.992 5.831 5.645 1.00 0.00 C ATOM 790 OE1 GLU A 416 -2.377 6.871 6.219 1.00 0.00 O ATOM 791 OE2 GLU A 416 -2.684 4.794 5.570 1.00 0.00 O ATOM 0 H GLU A 416 0.714 5.635 2.923 1.00 0.00 H new ATOM 0 HA GLU A 416 1.500 8.254 3.707 1.00 0.00 H new ATOM 0 HB2 GLU A 416 -0.245 7.881 5.478 1.00 0.00 H new ATOM 0 HB3 GLU A 416 -0.809 7.611 3.840 1.00 0.00 H new ATOM 0 HG2 GLU A 416 -0.634 5.192 4.120 1.00 0.00 H new ATOM 0 HG3 GLU A 416 0.101 5.388 5.699 1.00 0.00 H new ATOM 798 N ASP A 417 2.560 5.730 5.500 1.00 0.00 N ATOM 799 CA ASP A 417 3.468 5.345 6.574 1.00 0.00 C ATOM 800 C ASP A 417 4.911 5.683 6.214 1.00 0.00 C ATOM 801 O ASP A 417 5.679 6.153 7.054 1.00 0.00 O ATOM 802 CB ASP A 417 3.340 3.850 6.868 1.00 0.00 C ATOM 803 CG ASP A 417 1.901 3.425 7.088 1.00 0.00 C ATOM 804 OD1 ASP A 417 1.132 4.216 7.672 1.00 0.00 O ATOM 805 OD2 ASP A 417 1.545 2.300 6.678 1.00 0.00 O ATOM 0 H ASP A 417 2.191 4.948 4.959 1.00 0.00 H new ATOM 0 HA ASP A 417 3.194 5.908 7.466 1.00 0.00 H new ATOM 0 HB2 ASP A 417 3.761 3.282 6.038 1.00 0.00 H new ATOM 0 HB3 ASP A 417 3.928 3.605 7.753 1.00 0.00 H new ATOM 810 N VAL A 418 5.275 5.440 4.958 1.00 0.00 N ATOM 811 CA VAL A 418 6.626 5.718 4.486 1.00 0.00 C ATOM 812 C VAL A 418 6.830 7.211 4.252 1.00 0.00 C ATOM 813 O VAL A 418 5.889 7.931 3.918 1.00 0.00 O ATOM 814 CB VAL A 418 6.932 4.959 3.182 1.00 0.00 C ATOM 815 CG1 VAL A 418 8.290 5.368 2.631 1.00 0.00 C ATOM 816 CG2 VAL A 418 6.873 3.456 3.414 1.00 0.00 C ATOM 0 H VAL A 418 4.653 5.051 4.250 1.00 0.00 H new ATOM 0 HA VAL A 418 7.309 5.378 5.264 1.00 0.00 H new ATOM 0 HB VAL A 418 6.174 5.220 2.444 1.00 0.00 H new ATOM 0 HG11 VAL A 418 8.488 4.821 1.709 1.00 0.00 H new ATOM 0 HG12 VAL A 418 8.292 6.438 2.425 1.00 0.00 H new ATOM 0 HG13 VAL A 418 9.064 5.138 3.363 1.00 0.00 H new ATOM 0 HG21 VAL A 418 7.092 2.935 2.482 1.00 0.00 H new ATOM 0 HG22 VAL A 418 7.608 3.175 4.168 1.00 0.00 H new ATOM 0 HG23 VAL A 418 5.876 3.180 3.759 1.00 0.00 H new ATOM 826 N ASP A 419 8.064 7.669 4.428 1.00 0.00 N ATOM 827 CA ASP A 419 8.393 9.076 4.234 1.00 0.00 C ATOM 828 C ASP A 419 8.436 9.425 2.750 1.00 0.00 C ATOM 829 O ASP A 419 8.925 8.657 1.921 1.00 0.00 O ATOM 830 CB ASP A 419 9.737 9.403 4.887 1.00 0.00 C ATOM 831 CG ASP A 419 9.901 10.884 5.164 1.00 0.00 C ATOM 832 OD1 ASP A 419 9.159 11.413 6.018 1.00 0.00 O ATOM 833 OD2 ASP A 419 10.771 11.514 4.527 1.00 0.00 O ATOM 0 H ASP A 419 8.854 7.086 4.705 1.00 0.00 H new ATOM 0 HA ASP A 419 7.614 9.674 4.707 1.00 0.00 H new ATOM 0 HB2 ASP A 419 9.828 8.849 5.822 1.00 0.00 H new ATOM 0 HB3 ASP A 419 10.545 9.066 4.237 1.00 0.00 H new ATOM 838 N PRO A 420 7.911 10.610 2.404 1.00 0.00 N ATOM 839 CA PRO A 420 7.877 11.087 1.019 1.00 0.00 C ATOM 840 C PRO A 420 9.265 11.437 0.492 1.00 0.00 C ATOM 841 O PRO A 420 9.539 11.302 -0.699 1.00 0.00 O ATOM 842 CB PRO A 420 7.002 12.341 1.096 1.00 0.00 C ATOM 843 CG PRO A 420 7.141 12.813 2.503 1.00 0.00 C ATOM 844 CD PRO A 420 7.311 11.576 3.340 1.00 0.00 C ATOM 0 HA PRO A 420 7.497 10.327 0.336 1.00 0.00 H new ATOM 0 HB2 PRO A 420 7.335 13.100 0.389 1.00 0.00 H new ATOM 0 HB3 PRO A 420 5.963 12.115 0.855 1.00 0.00 H new ATOM 0 HG2 PRO A 420 7.999 13.477 2.609 1.00 0.00 H new ATOM 0 HG3 PRO A 420 6.262 13.377 2.814 1.00 0.00 H new ATOM 0 HD2 PRO A 420 7.957 11.758 4.199 1.00 0.00 H new ATOM 0 HD3 PRO A 420 6.357 11.220 3.729 1.00 0.00 H new ATOM 852 N ALA A 421 10.136 11.888 1.389 1.00 0.00 N ATOM 853 CA ALA A 421 11.496 12.256 1.014 1.00 0.00 C ATOM 854 C ALA A 421 12.236 11.071 0.403 1.00 0.00 C ATOM 855 O ALA A 421 12.705 11.137 -0.733 1.00 0.00 O ATOM 856 CB ALA A 421 12.252 12.785 2.224 1.00 0.00 C ATOM 0 H ALA A 421 9.924 12.007 2.380 1.00 0.00 H new ATOM 0 HA ALA A 421 11.439 13.043 0.262 1.00 0.00 H new ATOM 0 HB1 ALA A 421 13.266 13.056 1.930 1.00 0.00 H new ATOM 0 HB2 ALA A 421 11.741 13.664 2.617 1.00 0.00 H new ATOM 0 HB3 ALA A 421 12.291 12.014 2.994 1.00 0.00 H new ATOM 862 N LYS A 422 12.340 9.987 1.165 1.00 0.00 N ATOM 863 CA LYS A 422 13.023 8.786 0.699 1.00 0.00 C ATOM 864 C LYS A 422 12.528 8.381 -0.686 1.00 0.00 C ATOM 865 O LYS A 422 13.316 8.237 -1.620 1.00 0.00 O ATOM 866 CB LYS A 422 12.807 7.636 1.686 1.00 0.00 C ATOM 867 CG LYS A 422 13.717 7.698 2.900 1.00 0.00 C ATOM 868 CD LYS A 422 13.576 9.019 3.637 1.00 0.00 C ATOM 869 CE LYS A 422 14.225 8.963 5.011 1.00 0.00 C ATOM 870 NZ LYS A 422 13.619 7.907 5.868 1.00 0.00 N ATOM 0 H LYS A 422 11.960 9.916 2.109 1.00 0.00 H new ATOM 0 HA LYS A 422 14.089 9.006 0.635 1.00 0.00 H new ATOM 0 HB2 LYS A 422 11.769 7.644 2.019 1.00 0.00 H new ATOM 0 HB3 LYS A 422 12.968 6.690 1.169 1.00 0.00 H new ATOM 0 HG2 LYS A 422 13.480 6.876 3.576 1.00 0.00 H new ATOM 0 HG3 LYS A 422 14.752 7.564 2.587 1.00 0.00 H new ATOM 0 HD2 LYS A 422 14.034 9.815 3.050 1.00 0.00 H new ATOM 0 HD3 LYS A 422 12.520 9.267 3.742 1.00 0.00 H new ATOM 0 HE2 LYS A 422 15.293 8.773 4.901 1.00 0.00 H new ATOM 0 HE3 LYS A 422 14.122 9.931 5.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 422 13.447 8.289 6.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 422 12.718 7.596 5.451 1.00 0.00 H new ATOM 0 HZ3 LYS A 422 14.268 7.097 5.932 1.00 0.00 H new ATOM 884 N VAL A 423 11.217 8.201 -0.811 1.00 0.00 N ATOM 885 CA VAL A 423 10.617 7.815 -2.083 1.00 0.00 C ATOM 886 C VAL A 423 11.058 8.749 -3.204 1.00 0.00 C ATOM 887 O VAL A 423 11.458 8.301 -4.279 1.00 0.00 O ATOM 888 CB VAL A 423 9.078 7.819 -2.001 1.00 0.00 C ATOM 889 CG1 VAL A 423 8.472 7.431 -3.341 1.00 0.00 C ATOM 890 CG2 VAL A 423 8.601 6.885 -0.900 1.00 0.00 C ATOM 0 H VAL A 423 10.550 8.316 -0.048 1.00 0.00 H new ATOM 0 HA VAL A 423 10.959 6.803 -2.301 1.00 0.00 H new ATOM 0 HB VAL A 423 8.746 8.828 -1.758 1.00 0.00 H new ATOM 0 HG11 VAL A 423 7.385 7.439 -3.265 1.00 0.00 H new ATOM 0 HG12 VAL A 423 8.788 8.144 -4.103 1.00 0.00 H new ATOM 0 HG13 VAL A 423 8.809 6.432 -3.617 1.00 0.00 H new ATOM 0 HG21 VAL A 423 7.512 6.900 -0.856 1.00 0.00 H new ATOM 0 HG22 VAL A 423 8.942 5.871 -1.110 1.00 0.00 H new ATOM 0 HG23 VAL A 423 9.007 7.213 0.057 1.00 0.00 H new ATOM 900 N LYS A 424 10.982 10.050 -2.947 1.00 0.00 N ATOM 901 CA LYS A 424 11.376 11.050 -3.933 1.00 0.00 C ATOM 902 C LYS A 424 12.693 10.667 -4.600 1.00 0.00 C ATOM 903 O LYS A 424 12.812 10.703 -5.825 1.00 0.00 O ATOM 904 CB LYS A 424 11.506 12.424 -3.273 1.00 0.00 C ATOM 905 CG LYS A 424 11.820 13.542 -4.252 1.00 0.00 C ATOM 906 CD LYS A 424 10.623 13.867 -5.129 1.00 0.00 C ATOM 907 CE LYS A 424 11.054 14.413 -6.482 1.00 0.00 C ATOM 908 NZ LYS A 424 9.930 15.080 -7.195 1.00 0.00 N ATOM 0 H LYS A 424 10.651 10.437 -2.063 1.00 0.00 H new ATOM 0 HA LYS A 424 10.601 11.094 -4.698 1.00 0.00 H new ATOM 0 HB2 LYS A 424 10.577 12.658 -2.754 1.00 0.00 H new ATOM 0 HB3 LYS A 424 12.291 12.382 -2.518 1.00 0.00 H new ATOM 0 HG2 LYS A 424 12.123 14.434 -3.703 1.00 0.00 H new ATOM 0 HG3 LYS A 424 12.663 13.252 -4.879 1.00 0.00 H new ATOM 0 HD2 LYS A 424 10.022 12.969 -5.273 1.00 0.00 H new ATOM 0 HD3 LYS A 424 9.990 14.598 -4.626 1.00 0.00 H new ATOM 0 HE2 LYS A 424 11.869 15.124 -6.344 1.00 0.00 H new ATOM 0 HE3 LYS A 424 11.441 13.599 -7.095 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 10.265 15.438 -8.112 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 9.162 14.396 -7.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 9.577 15.873 -6.622 1.00 0.00 H new ATOM 922 N GLU A 425 13.678 10.300 -3.787 1.00 0.00 N ATOM 923 CA GLU A 425 14.986 9.910 -4.300 1.00 0.00 C ATOM 924 C GLU A 425 14.913 8.559 -5.006 1.00 0.00 C ATOM 925 O GLU A 425 15.351 8.417 -6.147 1.00 0.00 O ATOM 926 CB GLU A 425 16.008 9.850 -3.163 1.00 0.00 C ATOM 927 CG GLU A 425 17.428 10.162 -3.604 1.00 0.00 C ATOM 928 CD GLU A 425 18.426 10.068 -2.466 1.00 0.00 C ATOM 929 OE1 GLU A 425 18.503 11.022 -1.663 1.00 0.00 O ATOM 930 OE2 GLU A 425 19.130 9.041 -2.378 1.00 0.00 O ATOM 0 H GLU A 425 13.595 10.265 -2.771 1.00 0.00 H new ATOM 0 HA GLU A 425 15.303 10.661 -5.023 1.00 0.00 H new ATOM 0 HB2 GLU A 425 15.715 10.555 -2.385 1.00 0.00 H new ATOM 0 HB3 GLU A 425 15.985 8.856 -2.717 1.00 0.00 H new ATOM 0 HG2 GLU A 425 17.719 9.471 -4.395 1.00 0.00 H new ATOM 0 HG3 GLU A 425 17.460 11.165 -4.029 1.00 0.00 H new ATOM 937 N PHE A 426 14.357 7.568 -4.316 1.00 0.00 N ATOM 938 CA PHE A 426 14.228 6.227 -4.875 1.00 0.00 C ATOM 939 C PHE A 426 13.682 6.281 -6.299 1.00 0.00 C ATOM 940 O PHE A 426 14.329 5.823 -7.240 1.00 0.00 O ATOM 941 CB PHE A 426 13.311 5.372 -3.997 1.00 0.00 C ATOM 942 CG PHE A 426 12.797 4.141 -4.687 1.00 0.00 C ATOM 943 CD1 PHE A 426 13.673 3.162 -5.129 1.00 0.00 C ATOM 944 CD2 PHE A 426 11.439 3.963 -4.895 1.00 0.00 C ATOM 945 CE1 PHE A 426 13.204 2.028 -5.764 1.00 0.00 C ATOM 946 CE2 PHE A 426 10.964 2.830 -5.529 1.00 0.00 C ATOM 947 CZ PHE A 426 11.847 1.862 -5.965 1.00 0.00 C ATOM 0 H PHE A 426 13.989 7.668 -3.370 1.00 0.00 H new ATOM 0 HA PHE A 426 15.219 5.775 -4.902 1.00 0.00 H new ATOM 0 HB2 PHE A 426 13.854 5.076 -3.099 1.00 0.00 H new ATOM 0 HB3 PHE A 426 12.464 5.977 -3.673 1.00 0.00 H new ATOM 0 HD1 PHE A 426 14.735 3.287 -4.975 1.00 0.00 H new ATOM 0 HD2 PHE A 426 10.744 4.718 -4.558 1.00 0.00 H new ATOM 0 HE1 PHE A 426 13.897 1.272 -6.103 1.00 0.00 H new ATOM 0 HE2 PHE A 426 9.903 2.702 -5.683 1.00 0.00 H new ATOM 0 HZ PHE A 426 11.478 0.977 -6.462 1.00 0.00 H new ATOM 957 N GLU A 427 12.487 6.844 -6.447 1.00 0.00 N ATOM 958 CA GLU A 427 11.853 6.956 -7.755 1.00 0.00 C ATOM 959 C GLU A 427 12.805 7.586 -8.768 1.00 0.00 C ATOM 960 O GLU A 427 13.029 7.040 -9.849 1.00 0.00 O ATOM 961 CB GLU A 427 10.572 7.788 -7.657 1.00 0.00 C ATOM 962 CG GLU A 427 9.340 6.969 -7.310 1.00 0.00 C ATOM 963 CD GLU A 427 8.772 6.235 -8.509 1.00 0.00 C ATOM 964 OE1 GLU A 427 9.537 5.970 -9.460 1.00 0.00 O ATOM 965 OE2 GLU A 427 7.562 5.927 -8.498 1.00 0.00 O ATOM 0 H GLU A 427 11.939 7.229 -5.678 1.00 0.00 H new ATOM 0 HA GLU A 427 11.600 5.952 -8.095 1.00 0.00 H new ATOM 0 HB2 GLU A 427 10.708 8.562 -6.902 1.00 0.00 H new ATOM 0 HB3 GLU A 427 10.405 8.296 -8.607 1.00 0.00 H new ATOM 0 HG2 GLU A 427 9.595 6.247 -6.534 1.00 0.00 H new ATOM 0 HG3 GLU A 427 8.576 7.627 -6.896 1.00 0.00 H new ATOM 972 N SER A 428 13.362 8.739 -8.411 1.00 0.00 N ATOM 973 CA SER A 428 14.286 9.446 -9.290 1.00 0.00 C ATOM 974 C SER A 428 15.364 8.504 -9.815 1.00 0.00 C ATOM 975 O SER A 428 15.589 8.410 -11.023 1.00 0.00 O ATOM 976 CB SER A 428 14.933 10.617 -8.548 1.00 0.00 C ATOM 977 OG SER A 428 15.535 11.525 -9.454 1.00 0.00 O ATOM 0 H SER A 428 13.189 9.203 -7.519 1.00 0.00 H new ATOM 0 HA SER A 428 13.720 9.831 -10.138 1.00 0.00 H new ATOM 0 HB2 SER A 428 14.180 11.136 -7.955 1.00 0.00 H new ATOM 0 HB3 SER A 428 15.683 10.241 -7.853 1.00 0.00 H new ATOM 0 HG SER A 428 15.940 12.265 -8.955 1.00 0.00 H new