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 Set 1.1: A 386 THR OG1 : rot 1:sc= 0.119 USER MOD Set 1.2: A 397 HIS : no HD1:sc= -1.26 K(o=-1.1,f=0.13) USER MOD Single : A 385 HIS : no HD1:sc= -0.242 X(o=-0.24,f=0) USER MOD Single : A 387 LYS NZ :NH3+ -157:sc= -0.261 (180deg=-0.676) USER MOD Single : A 391 THR OG1 : rot 180:sc= 0 USER MOD Single : A 396 THR OG1 : rot 180:sc= 0 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 -127:sc= 0.726 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 77:sc= 1.16 USER MOD Single : A 411 THR OG1 : rot 180:sc= -0.473 USER MOD Single : A 422 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 15.216 3.317 8.173 1.00 0.00 N ATOM 159 CA VAL A 377 14.821 3.303 6.769 1.00 0.00 C ATOM 160 C VAL A 377 16.033 3.457 5.856 1.00 0.00 C ATOM 161 O VAL A 377 16.050 4.311 4.970 1.00 0.00 O ATOM 162 CB VAL A 377 13.812 4.424 6.458 1.00 0.00 C ATOM 163 CG1 VAL A 377 13.263 4.273 5.048 1.00 0.00 C ATOM 164 CG2 VAL A 377 12.686 4.425 7.481 1.00 0.00 C ATOM 0 HA VAL A 377 14.349 2.338 6.583 1.00 0.00 H new ATOM 0 HB VAL A 377 14.329 5.382 6.519 1.00 0.00 H new ATOM 0 HG11 VAL A 377 12.552 5.074 4.847 1.00 0.00 H new ATOM 0 HG12 VAL A 377 14.082 4.326 4.331 1.00 0.00 H new ATOM 0 HG13 VAL A 377 12.761 3.310 4.954 1.00 0.00 H new ATOM 0 HG21 VAL A 377 11.982 5.223 7.246 1.00 0.00 H new ATOM 0 HG22 VAL A 377 12.169 3.466 7.454 1.00 0.00 H new ATOM 0 HG23 VAL A 377 13.099 4.587 8.477 1.00 0.00 H new ATOM 174 N ASP A 378 17.044 2.625 6.079 1.00 0.00 N ATOM 175 CA ASP A 378 18.260 2.667 5.275 1.00 0.00 C ATOM 176 C ASP A 378 17.941 3.020 3.826 1.00 0.00 C ATOM 177 O ASP A 378 18.561 3.909 3.242 1.00 0.00 O ATOM 178 CB ASP A 378 18.985 1.322 5.338 1.00 0.00 C ATOM 179 CG ASP A 378 20.456 1.441 4.993 1.00 0.00 C ATOM 180 OD1 ASP A 378 20.806 2.321 4.178 1.00 0.00 O ATOM 181 OD2 ASP A 378 21.259 0.655 5.539 1.00 0.00 O ATOM 0 H ASP A 378 17.046 1.913 6.810 1.00 0.00 H new ATOM 0 HA ASP A 378 18.910 3.441 5.684 1.00 0.00 H new ATOM 0 HB2 ASP A 378 18.882 0.904 6.339 1.00 0.00 H new ATOM 0 HB3 ASP A 378 18.509 0.623 4.650 1.00 0.00 H new ATOM 186 N ARG A 379 16.972 2.316 3.250 1.00 0.00 N ATOM 187 CA ARG A 379 16.573 2.553 1.868 1.00 0.00 C ATOM 188 C ARG A 379 15.359 1.705 1.499 1.00 0.00 C ATOM 189 O ARG A 379 14.866 0.923 2.312 1.00 0.00 O ATOM 190 CB ARG A 379 17.732 2.242 0.919 1.00 0.00 C ATOM 191 CG ARG A 379 18.055 0.760 0.817 1.00 0.00 C ATOM 192 CD ARG A 379 19.321 0.520 0.010 1.00 0.00 C ATOM 193 NE ARG A 379 20.518 0.946 0.730 1.00 0.00 N ATOM 194 CZ ARG A 379 21.751 0.609 0.370 1.00 0.00 C ATOM 195 NH1 ARG A 379 21.949 -0.155 -0.696 1.00 0.00 N ATOM 196 NH2 ARG A 379 22.791 1.036 1.076 1.00 0.00 N ATOM 0 H ARG A 379 16.449 1.577 3.719 1.00 0.00 H new ATOM 0 HA ARG A 379 16.304 3.605 1.770 1.00 0.00 H new ATOM 0 HB2 ARG A 379 17.489 2.621 -0.074 1.00 0.00 H new ATOM 0 HB3 ARG A 379 18.620 2.776 1.256 1.00 0.00 H new ATOM 0 HG2 ARG A 379 18.175 0.343 1.817 1.00 0.00 H new ATOM 0 HG3 ARG A 379 17.220 0.236 0.351 1.00 0.00 H new ATOM 0 HD2 ARG A 379 19.401 -0.540 -0.232 1.00 0.00 H new ATOM 0 HD3 ARG A 379 19.256 1.059 -0.935 1.00 0.00 H new ATOM 0 HE ARG A 379 20.401 1.535 1.555 1.00 0.00 H new ATOM 0 HH11 ARG A 379 21.153 -0.485 -1.242 1.00 0.00 H new ATOM 0 HH12 ARG A 379 22.897 -0.412 -0.970 1.00 0.00 H new ATOM 0 HH21 ARG A 379 22.644 1.624 1.896 1.00 0.00 H new ATOM 0 HH22 ARG A 379 23.737 0.776 0.798 1.00 0.00 H new ATOM 210 N ILE A 380 14.881 1.868 0.270 1.00 0.00 N ATOM 211 CA ILE A 380 13.726 1.117 -0.206 1.00 0.00 C ATOM 212 C ILE A 380 14.139 0.054 -1.217 1.00 0.00 C ATOM 213 O ILE A 380 14.813 0.349 -2.205 1.00 0.00 O ATOM 214 CB ILE A 380 12.679 2.045 -0.851 1.00 0.00 C ATOM 215 CG1 ILE A 380 12.296 3.168 0.115 1.00 0.00 C ATOM 216 CG2 ILE A 380 11.449 1.250 -1.263 1.00 0.00 C ATOM 217 CD1 ILE A 380 11.577 4.320 -0.553 1.00 0.00 C ATOM 0 H ILE A 380 15.276 2.513 -0.414 1.00 0.00 H new ATOM 0 HA ILE A 380 13.284 0.633 0.665 1.00 0.00 H new ATOM 0 HB ILE A 380 13.114 2.493 -1.744 1.00 0.00 H new ATOM 0 HG12 ILE A 380 11.660 2.760 0.900 1.00 0.00 H new ATOM 0 HG13 ILE A 380 13.198 3.544 0.598 1.00 0.00 H new ATOM 0 HG21 ILE A 380 10.718 1.919 -1.717 1.00 0.00 H new ATOM 0 HG22 ILE A 380 11.736 0.483 -1.983 1.00 0.00 H new ATOM 0 HG23 ILE A 380 11.011 0.777 -0.384 1.00 0.00 H new ATOM 0 HD11 ILE A 380 11.336 5.079 0.191 1.00 0.00 H new ATOM 0 HD12 ILE A 380 12.219 4.754 -1.319 1.00 0.00 H new ATOM 0 HD13 ILE A 380 10.657 3.958 -1.013 1.00 0.00 H new ATOM 229 N LEU A 381 13.729 -1.184 -0.966 1.00 0.00 N ATOM 230 CA LEU A 381 14.055 -2.294 -1.856 1.00 0.00 C ATOM 231 C LEU A 381 13.253 -2.207 -3.150 1.00 0.00 C ATOM 232 O LEU A 381 13.807 -1.949 -4.218 1.00 0.00 O ATOM 233 CB LEU A 381 13.781 -3.628 -1.160 1.00 0.00 C ATOM 234 CG LEU A 381 14.853 -4.107 -0.181 1.00 0.00 C ATOM 235 CD1 LEU A 381 14.277 -5.138 0.778 1.00 0.00 C ATOM 236 CD2 LEU A 381 16.044 -4.683 -0.933 1.00 0.00 C ATOM 0 H LEU A 381 13.170 -1.445 -0.154 1.00 0.00 H new ATOM 0 HA LEU A 381 15.115 -2.232 -2.103 1.00 0.00 H new ATOM 0 HB2 LEU A 381 12.836 -3.547 -0.622 1.00 0.00 H new ATOM 0 HB3 LEU A 381 13.648 -4.393 -1.925 1.00 0.00 H new ATOM 0 HG LEU A 381 15.196 -3.251 0.400 1.00 0.00 H new ATOM 0 HD11 LEU A 381 15.054 -5.468 1.467 1.00 0.00 H new ATOM 0 HD12 LEU A 381 13.457 -4.693 1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 381 13.906 -5.993 0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 381 16.797 -5.019 -0.220 1.00 0.00 H new ATOM 0 HD22 LEU A 381 15.717 -5.527 -1.540 1.00 0.00 H new ATOM 0 HD23 LEU A 381 16.472 -3.916 -1.578 1.00 0.00 H new ATOM 248 N GLU A 382 11.945 -2.422 -3.045 1.00 0.00 N ATOM 249 CA GLU A 382 11.067 -2.367 -4.208 1.00 0.00 C ATOM 250 C GLU A 382 9.725 -1.736 -3.847 1.00 0.00 C ATOM 251 O GLU A 382 9.451 -1.457 -2.679 1.00 0.00 O ATOM 252 CB GLU A 382 10.847 -3.771 -4.776 1.00 0.00 C ATOM 253 CG GLU A 382 11.870 -4.170 -5.825 1.00 0.00 C ATOM 254 CD GLU A 382 12.098 -5.668 -5.877 1.00 0.00 C ATOM 255 OE1 GLU A 382 11.108 -6.413 -6.040 1.00 0.00 O ATOM 256 OE2 GLU A 382 13.265 -6.096 -5.756 1.00 0.00 O ATOM 0 H GLU A 382 11.471 -2.636 -2.168 1.00 0.00 H new ATOM 0 HA GLU A 382 11.548 -1.748 -4.965 1.00 0.00 H new ATOM 0 HB2 GLU A 382 10.876 -4.493 -3.960 1.00 0.00 H new ATOM 0 HB3 GLU A 382 9.850 -3.825 -5.214 1.00 0.00 H new ATOM 0 HG2 GLU A 382 11.536 -3.823 -6.803 1.00 0.00 H new ATOM 0 HG3 GLU A 382 12.815 -3.669 -5.614 1.00 0.00 H new ATOM 263 N VAL A 383 8.892 -1.513 -4.858 1.00 0.00 N ATOM 264 CA VAL A 383 7.578 -0.916 -4.648 1.00 0.00 C ATOM 265 C VAL A 383 6.485 -1.747 -5.309 1.00 0.00 C ATOM 266 O VAL A 383 6.712 -2.386 -6.336 1.00 0.00 O ATOM 267 CB VAL A 383 7.520 0.521 -5.200 1.00 0.00 C ATOM 268 CG1 VAL A 383 7.817 0.532 -6.692 1.00 0.00 C ATOM 269 CG2 VAL A 383 6.164 1.147 -4.914 1.00 0.00 C ATOM 0 H VAL A 383 9.103 -1.737 -5.831 1.00 0.00 H new ATOM 0 HA VAL A 383 7.410 -0.891 -3.571 1.00 0.00 H new ATOM 0 HB VAL A 383 8.283 1.116 -4.697 1.00 0.00 H new ATOM 0 HG11 VAL A 383 7.772 1.555 -7.064 1.00 0.00 H new ATOM 0 HG12 VAL A 383 8.813 0.126 -6.868 1.00 0.00 H new ATOM 0 HG13 VAL A 383 7.079 -0.077 -7.214 1.00 0.00 H new ATOM 0 HG21 VAL A 383 6.141 2.162 -5.311 1.00 0.00 H new ATOM 0 HG22 VAL A 383 5.382 0.554 -5.388 1.00 0.00 H new ATOM 0 HG23 VAL A 383 5.996 1.175 -3.837 1.00 0.00 H new ATOM 279 N ALA A 384 5.296 -1.733 -4.714 1.00 0.00 N ATOM 280 CA ALA A 384 4.166 -2.483 -5.246 1.00 0.00 C ATOM 281 C ALA A 384 2.886 -1.655 -5.200 1.00 0.00 C ATOM 282 O ALA A 384 2.705 -0.824 -4.310 1.00 0.00 O ATOM 283 CB ALA A 384 3.985 -3.782 -4.475 1.00 0.00 C ATOM 0 H ALA A 384 5.091 -1.210 -3.863 1.00 0.00 H new ATOM 0 HA ALA A 384 4.377 -2.719 -6.289 1.00 0.00 H new ATOM 0 HB1 ALA A 384 3.137 -4.332 -4.883 1.00 0.00 H new ATOM 0 HB2 ALA A 384 4.887 -4.387 -4.564 1.00 0.00 H new ATOM 0 HB3 ALA A 384 3.801 -3.559 -3.424 1.00 0.00 H new ATOM 289 N HIS A 385 2.002 -1.887 -6.165 1.00 0.00 N ATOM 290 CA HIS A 385 0.738 -1.162 -6.233 1.00 0.00 C ATOM 291 C HIS A 385 -0.441 -2.129 -6.286 1.00 0.00 C ATOM 292 O HIS A 385 -0.465 -3.052 -7.100 1.00 0.00 O ATOM 293 CB HIS A 385 0.717 -0.246 -7.458 1.00 0.00 C ATOM 294 CG HIS A 385 2.006 0.482 -7.683 1.00 0.00 C ATOM 295 ND1 HIS A 385 2.190 1.808 -7.350 1.00 0.00 N ATOM 296 CD2 HIS A 385 3.180 0.062 -8.210 1.00 0.00 C ATOM 297 CE1 HIS A 385 3.420 2.172 -7.664 1.00 0.00 C ATOM 298 NE2 HIS A 385 4.043 1.130 -8.187 1.00 0.00 N ATOM 0 H HIS A 385 2.137 -2.571 -6.910 1.00 0.00 H new ATOM 0 HA HIS A 385 0.647 -0.555 -5.332 1.00 0.00 H new ATOM 0 HB2 HIS A 385 0.486 -0.840 -8.342 1.00 0.00 H new ATOM 0 HB3 HIS A 385 -0.087 0.482 -7.344 1.00 0.00 H new ATOM 0 HD2 HIS A 385 3.398 -0.929 -8.580 1.00 0.00 H new ATOM 0 HE1 HIS A 385 3.845 3.154 -7.518 1.00 0.00 H new ATOM 0 HE2 HIS A 385 5.007 1.121 -8.519 1.00 0.00 H new ATOM 306 N THR A 386 -1.419 -1.910 -5.412 1.00 0.00 N ATOM 307 CA THR A 386 -2.600 -2.763 -5.358 1.00 0.00 C ATOM 308 C THR A 386 -3.860 -1.941 -5.109 1.00 0.00 C ATOM 309 O THR A 386 -3.849 -0.989 -4.329 1.00 0.00 O ATOM 310 CB THR A 386 -2.471 -3.831 -4.255 1.00 0.00 C ATOM 311 OG1 THR A 386 -2.216 -3.204 -2.993 1.00 0.00 O ATOM 312 CG2 THR A 386 -1.351 -4.809 -4.577 1.00 0.00 C ATOM 0 H THR A 386 -1.416 -1.149 -4.732 1.00 0.00 H new ATOM 0 HA THR A 386 -2.678 -3.258 -6.326 1.00 0.00 H new ATOM 0 HB THR A 386 -3.410 -4.383 -4.203 1.00 0.00 H new ATOM 0 HG1 THR A 386 -2.188 -2.232 -3.111 1.00 0.00 H new ATOM 0 HG21 THR A 386 -1.279 -5.554 -3.784 1.00 0.00 H new ATOM 0 HG22 THR A 386 -1.563 -5.306 -5.524 1.00 0.00 H new ATOM 0 HG23 THR A 386 -0.407 -4.269 -4.654 1.00 0.00 H new ATOM 320 N LYS A 387 -4.946 -2.316 -5.777 1.00 0.00 N ATOM 321 CA LYS A 387 -6.216 -1.615 -5.628 1.00 0.00 C ATOM 322 C LYS A 387 -7.230 -2.479 -4.885 1.00 0.00 C ATOM 323 O LYS A 387 -7.405 -3.657 -5.200 1.00 0.00 O ATOM 324 CB LYS A 387 -6.770 -1.224 -6.999 1.00 0.00 C ATOM 325 CG LYS A 387 -8.022 -0.367 -6.927 1.00 0.00 C ATOM 326 CD LYS A 387 -8.538 -0.016 -8.313 1.00 0.00 C ATOM 327 CE LYS A 387 -10.026 0.300 -8.290 1.00 0.00 C ATOM 328 NZ LYS A 387 -10.835 -0.872 -7.853 1.00 0.00 N ATOM 0 H LYS A 387 -4.972 -3.102 -6.427 1.00 0.00 H new ATOM 0 HA LYS A 387 -6.038 -0.712 -5.044 1.00 0.00 H new ATOM 0 HB2 LYS A 387 -6.001 -0.684 -7.552 1.00 0.00 H new ATOM 0 HB3 LYS A 387 -6.992 -2.130 -7.564 1.00 0.00 H new ATOM 0 HG2 LYS A 387 -8.796 -0.898 -6.373 1.00 0.00 H new ATOM 0 HG3 LYS A 387 -7.806 0.548 -6.375 1.00 0.00 H new ATOM 0 HD2 LYS A 387 -7.989 0.842 -8.700 1.00 0.00 H new ATOM 0 HD3 LYS A 387 -8.352 -0.847 -8.993 1.00 0.00 H new ATOM 0 HE2 LYS A 387 -10.209 1.138 -7.618 1.00 0.00 H new ATOM 0 HE3 LYS A 387 -10.346 0.612 -9.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 387 -11.808 -0.774 -8.207 1.00 0.00 H new ATOM 0 HZ2 LYS A 387 -10.415 -1.745 -8.233 1.00 0.00 H new ATOM 0 HZ3 LYS A 387 -10.847 -0.917 -6.814 1.00 0.00 H new ATOM 342 N ASP A 388 -7.895 -1.887 -3.899 1.00 0.00 N ATOM 343 CA ASP A 388 -8.894 -2.603 -3.114 1.00 0.00 C ATOM 344 C ASP A 388 -10.081 -3.008 -3.982 1.00 0.00 C ATOM 345 O ASP A 388 -10.359 -2.379 -5.003 1.00 0.00 O ATOM 346 CB ASP A 388 -9.372 -1.737 -1.947 1.00 0.00 C ATOM 347 CG ASP A 388 -10.087 -2.545 -0.882 1.00 0.00 C ATOM 348 OD1 ASP A 388 -11.177 -3.079 -1.173 1.00 0.00 O ATOM 349 OD2 ASP A 388 -9.555 -2.643 0.244 1.00 0.00 O ATOM 0 H ASP A 388 -7.761 -0.914 -3.624 1.00 0.00 H new ATOM 0 HA ASP A 388 -8.430 -3.508 -2.720 1.00 0.00 H new ATOM 0 HB2 ASP A 388 -8.517 -1.229 -1.501 1.00 0.00 H new ATOM 0 HB3 ASP A 388 -10.042 -0.963 -2.323 1.00 0.00 H new ATOM 354 N ALA A 389 -10.776 -4.063 -3.571 1.00 0.00 N ATOM 355 CA ALA A 389 -11.933 -4.551 -4.310 1.00 0.00 C ATOM 356 C ALA A 389 -13.228 -4.264 -3.557 1.00 0.00 C ATOM 357 O ALA A 389 -14.223 -3.851 -4.151 1.00 0.00 O ATOM 358 CB ALA A 389 -11.797 -6.042 -4.580 1.00 0.00 C ATOM 0 H ALA A 389 -10.558 -4.596 -2.730 1.00 0.00 H new ATOM 0 HA ALA A 389 -11.973 -4.022 -5.262 1.00 0.00 H new ATOM 0 HB1 ALA A 389 -12.669 -6.393 -5.133 1.00 0.00 H new ATOM 0 HB2 ALA A 389 -10.897 -6.225 -5.167 1.00 0.00 H new ATOM 0 HB3 ALA A 389 -11.728 -6.578 -3.634 1.00 0.00 H new ATOM 364 N GLU A 390 -13.206 -4.487 -2.247 1.00 0.00 N ATOM 365 CA GLU A 390 -14.380 -4.254 -1.413 1.00 0.00 C ATOM 366 C GLU A 390 -14.793 -2.786 -1.455 1.00 0.00 C ATOM 367 O GLU A 390 -15.954 -2.462 -1.707 1.00 0.00 O ATOM 368 CB GLU A 390 -14.100 -4.676 0.031 1.00 0.00 C ATOM 369 CG GLU A 390 -13.902 -6.173 0.200 1.00 0.00 C ATOM 370 CD GLU A 390 -14.278 -6.658 1.586 1.00 0.00 C ATOM 371 OE1 GLU A 390 -15.462 -6.524 1.960 1.00 0.00 O ATOM 372 OE2 GLU A 390 -13.389 -7.172 2.297 1.00 0.00 O ATOM 0 H GLU A 390 -12.389 -4.828 -1.740 1.00 0.00 H new ATOM 0 HA GLU A 390 -15.199 -4.856 -1.806 1.00 0.00 H new ATOM 0 HB2 GLU A 390 -13.209 -4.158 0.386 1.00 0.00 H new ATOM 0 HB3 GLU A 390 -14.929 -4.354 0.662 1.00 0.00 H new ATOM 0 HG2 GLU A 390 -14.502 -6.701 -0.541 1.00 0.00 H new ATOM 0 HG3 GLU A 390 -12.860 -6.422 0.002 1.00 0.00 H new ATOM 379 N THR A 391 -13.834 -1.900 -1.204 1.00 0.00 N ATOM 380 CA THR A 391 -14.097 -0.466 -1.210 1.00 0.00 C ATOM 381 C THR A 391 -13.697 0.160 -2.541 1.00 0.00 C ATOM 382 O THR A 391 -14.373 1.057 -3.044 1.00 0.00 O ATOM 383 CB THR A 391 -13.344 0.248 -0.072 1.00 0.00 C ATOM 384 OG1 THR A 391 -11.933 0.052 -0.220 1.00 0.00 O ATOM 385 CG2 THR A 391 -13.794 -0.271 1.285 1.00 0.00 C ATOM 0 H THR A 391 -12.868 -2.151 -0.994 1.00 0.00 H new ATOM 0 HA THR A 391 -15.169 -0.340 -1.060 1.00 0.00 H new ATOM 0 HB THR A 391 -13.571 1.313 -0.128 1.00 0.00 H new ATOM 0 HG1 THR A 391 -11.461 0.510 0.506 1.00 0.00 H new ATOM 0 HG21 THR A 391 -13.248 0.248 2.073 1.00 0.00 H new ATOM 0 HG22 THR A 391 -14.863 -0.093 1.406 1.00 0.00 H new ATOM 0 HG23 THR A 391 -13.594 -1.341 1.350 1.00 0.00 H new ATOM 393 N GLY A 392 -12.594 -0.319 -3.108 1.00 0.00 N ATOM 394 CA GLY A 392 -12.124 0.206 -4.376 1.00 0.00 C ATOM 395 C GLY A 392 -10.893 1.077 -4.223 1.00 0.00 C ATOM 396 O GLY A 392 -10.010 1.070 -5.080 1.00 0.00 O ATOM 0 H GLY A 392 -12.018 -1.061 -2.712 1.00 0.00 H new ATOM 0 HA2 GLY A 392 -11.898 -0.623 -5.047 1.00 0.00 H new ATOM 0 HA3 GLY A 392 -12.920 0.786 -4.843 1.00 0.00 H new ATOM 400 N GLU A 393 -10.835 1.830 -3.129 1.00 0.00 N ATOM 401 CA GLU A 393 -9.703 2.712 -2.868 1.00 0.00 C ATOM 402 C GLU A 393 -8.393 2.056 -3.293 1.00 0.00 C ATOM 403 O GLU A 393 -8.240 0.838 -3.206 1.00 0.00 O ATOM 404 CB GLU A 393 -9.645 3.079 -1.384 1.00 0.00 C ATOM 405 CG GLU A 393 -10.900 3.770 -0.878 1.00 0.00 C ATOM 406 CD GLU A 393 -11.295 4.960 -1.731 1.00 0.00 C ATOM 407 OE1 GLU A 393 -10.396 5.575 -2.343 1.00 0.00 O ATOM 408 OE2 GLU A 393 -12.502 5.275 -1.788 1.00 0.00 O ATOM 0 H GLU A 393 -11.558 1.847 -2.410 1.00 0.00 H new ATOM 0 HA GLU A 393 -9.841 3.621 -3.454 1.00 0.00 H new ATOM 0 HB2 GLU A 393 -9.479 2.173 -0.801 1.00 0.00 H new ATOM 0 HB3 GLU A 393 -8.788 3.730 -1.213 1.00 0.00 H new ATOM 0 HG2 GLU A 393 -11.721 3.054 -0.857 1.00 0.00 H new ATOM 0 HG3 GLU A 393 -10.740 4.101 0.148 1.00 0.00 H new ATOM 415 N GLU A 394 -7.450 2.873 -3.753 1.00 0.00 N ATOM 416 CA GLU A 394 -6.154 2.371 -4.193 1.00 0.00 C ATOM 417 C GLU A 394 -5.160 2.344 -3.035 1.00 0.00 C ATOM 418 O GLU A 394 -4.884 3.371 -2.414 1.00 0.00 O ATOM 419 CB GLU A 394 -5.606 3.237 -5.329 1.00 0.00 C ATOM 420 CG GLU A 394 -6.082 2.806 -6.706 1.00 0.00 C ATOM 421 CD GLU A 394 -6.054 3.939 -7.714 1.00 0.00 C ATOM 422 OE1 GLU A 394 -6.793 4.927 -7.515 1.00 0.00 O ATOM 423 OE2 GLU A 394 -5.295 3.839 -8.700 1.00 0.00 O ATOM 0 H GLU A 394 -7.560 3.884 -3.830 1.00 0.00 H new ATOM 0 HA GLU A 394 -6.291 1.352 -4.556 1.00 0.00 H new ATOM 0 HB2 GLU A 394 -5.900 4.273 -5.160 1.00 0.00 H new ATOM 0 HB3 GLU A 394 -4.517 3.207 -5.304 1.00 0.00 H new ATOM 0 HG2 GLU A 394 -5.454 1.990 -7.064 1.00 0.00 H new ATOM 0 HG3 GLU A 394 -7.097 2.417 -6.630 1.00 0.00 H new ATOM 430 N VAL A 395 -4.626 1.161 -2.749 1.00 0.00 N ATOM 431 CA VAL A 395 -3.662 0.998 -1.667 1.00 0.00 C ATOM 432 C VAL A 395 -2.269 0.706 -2.211 1.00 0.00 C ATOM 433 O VAL A 395 -2.054 -0.294 -2.896 1.00 0.00 O ATOM 434 CB VAL A 395 -4.077 -0.137 -0.712 1.00 0.00 C ATOM 435 CG1 VAL A 395 -3.051 -0.302 0.399 1.00 0.00 C ATOM 436 CG2 VAL A 395 -5.460 0.130 -0.137 1.00 0.00 C ATOM 0 H VAL A 395 -4.845 0.301 -3.252 1.00 0.00 H new ATOM 0 HA VAL A 395 -3.643 1.938 -1.116 1.00 0.00 H new ATOM 0 HB VAL A 395 -4.117 -1.068 -1.277 1.00 0.00 H new ATOM 0 HG11 VAL A 395 -3.361 -1.108 1.064 1.00 0.00 H new ATOM 0 HG12 VAL A 395 -2.080 -0.542 -0.035 1.00 0.00 H new ATOM 0 HG13 VAL A 395 -2.975 0.626 0.965 1.00 0.00 H new ATOM 0 HG21 VAL A 395 -5.737 -0.682 0.535 1.00 0.00 H new ATOM 0 HG22 VAL A 395 -5.450 1.070 0.414 1.00 0.00 H new ATOM 0 HG23 VAL A 395 -6.185 0.193 -0.948 1.00 0.00 H new ATOM 446 N THR A 396 -1.322 1.587 -1.901 1.00 0.00 N ATOM 447 CA THR A 396 0.052 1.424 -2.359 1.00 0.00 C ATOM 448 C THR A 396 0.923 0.799 -1.275 1.00 0.00 C ATOM 449 O THR A 396 0.708 1.027 -0.084 1.00 0.00 O ATOM 450 CB THR A 396 0.667 2.772 -2.781 1.00 0.00 C ATOM 451 OG1 THR A 396 -0.197 3.434 -3.712 1.00 0.00 O ATOM 452 CG2 THR A 396 2.037 2.569 -3.409 1.00 0.00 C ATOM 0 H THR A 396 -1.482 2.420 -1.335 1.00 0.00 H new ATOM 0 HA THR A 396 0.020 0.760 -3.223 1.00 0.00 H new ATOM 0 HB THR A 396 0.782 3.389 -1.890 1.00 0.00 H new ATOM 0 HG1 THR A 396 0.200 4.291 -3.974 1.00 0.00 H new ATOM 0 HG21 THR A 396 2.451 3.535 -3.699 1.00 0.00 H new ATOM 0 HG22 THR A 396 2.701 2.091 -2.688 1.00 0.00 H new ATOM 0 HG23 THR A 396 1.943 1.935 -4.291 1.00 0.00 H new ATOM 460 N HIS A 397 1.907 0.010 -1.695 1.00 0.00 N ATOM 461 CA HIS A 397 2.812 -0.647 -0.758 1.00 0.00 C ATOM 462 C HIS A 397 4.267 -0.346 -1.107 1.00 0.00 C ATOM 463 O HIS A 397 4.665 -0.423 -2.269 1.00 0.00 O ATOM 464 CB HIS A 397 2.576 -2.158 -0.763 1.00 0.00 C ATOM 465 CG HIS A 397 1.210 -2.552 -0.292 1.00 0.00 C ATOM 466 ND1 HIS A 397 0.078 -2.414 -1.067 1.00 0.00 N ATOM 467 CD2 HIS A 397 0.798 -3.084 0.882 1.00 0.00 C ATOM 468 CE1 HIS A 397 -0.972 -2.843 -0.389 1.00 0.00 C ATOM 469 NE2 HIS A 397 -0.562 -3.256 0.797 1.00 0.00 N ATOM 0 H HIS A 397 2.098 -0.190 -2.677 1.00 0.00 H new ATOM 0 HA HIS A 397 2.608 -0.258 0.240 1.00 0.00 H new ATOM 0 HB2 HIS A 397 2.726 -2.538 -1.774 1.00 0.00 H new ATOM 0 HB3 HIS A 397 3.322 -2.636 -0.128 1.00 0.00 H new ATOM 0 HD2 HIS A 397 1.423 -3.328 1.729 1.00 0.00 H new ATOM 0 HE1 HIS A 397 -1.992 -2.854 -0.744 1.00 0.00 H new ATOM 0 HE2 HIS A 397 -1.158 -3.640 1.530 1.00 0.00 H new ATOM 477 N TYR A 398 5.054 -0.004 -0.093 1.00 0.00 N ATOM 478 CA TYR A 398 6.463 0.311 -0.293 1.00 0.00 C ATOM 479 C TYR A 398 7.344 -0.520 0.634 1.00 0.00 C ATOM 480 O TYR A 398 7.295 -0.372 1.856 1.00 0.00 O ATOM 481 CB TYR A 398 6.714 1.801 -0.052 1.00 0.00 C ATOM 482 CG TYR A 398 6.331 2.677 -1.224 1.00 0.00 C ATOM 483 CD1 TYR A 398 5.030 3.143 -1.372 1.00 0.00 C ATOM 484 CD2 TYR A 398 7.269 3.037 -2.183 1.00 0.00 C ATOM 485 CE1 TYR A 398 4.676 3.943 -2.441 1.00 0.00 C ATOM 486 CE2 TYR A 398 6.924 3.837 -3.254 1.00 0.00 C ATOM 487 CZ TYR A 398 5.626 4.287 -3.379 1.00 0.00 C ATOM 488 OH TYR A 398 5.278 5.084 -4.446 1.00 0.00 O ATOM 0 H TYR A 398 4.740 0.062 0.875 1.00 0.00 H new ATOM 0 HA TYR A 398 6.720 0.068 -1.324 1.00 0.00 H new ATOM 0 HB2 TYR A 398 6.152 2.118 0.827 1.00 0.00 H new ATOM 0 HB3 TYR A 398 7.770 1.951 0.173 1.00 0.00 H new ATOM 0 HD1 TYR A 398 4.283 2.875 -0.639 1.00 0.00 H new ATOM 0 HD2 TYR A 398 8.286 2.685 -2.089 1.00 0.00 H new ATOM 0 HE1 TYR A 398 3.661 4.297 -2.541 1.00 0.00 H new ATOM 0 HE2 TYR A 398 7.666 4.109 -3.990 1.00 0.00 H new ATOM 0 HH TYR A 398 6.063 5.233 -5.013 1.00 0.00 H new ATOM 498 N LEU A 399 8.151 -1.396 0.045 1.00 0.00 N ATOM 499 CA LEU A 399 9.045 -2.252 0.816 1.00 0.00 C ATOM 500 C LEU A 399 10.168 -1.437 1.449 1.00 0.00 C ATOM 501 O LEU A 399 11.191 -1.174 0.817 1.00 0.00 O ATOM 502 CB LEU A 399 9.634 -3.345 -0.078 1.00 0.00 C ATOM 503 CG LEU A 399 10.538 -4.365 0.616 1.00 0.00 C ATOM 504 CD1 LEU A 399 9.783 -5.077 1.728 1.00 0.00 C ATOM 505 CD2 LEU A 399 11.080 -5.369 -0.391 1.00 0.00 C ATOM 0 H LEU A 399 8.204 -1.532 -0.965 1.00 0.00 H new ATOM 0 HA LEU A 399 8.465 -2.717 1.613 1.00 0.00 H new ATOM 0 HB2 LEU A 399 8.812 -3.881 -0.552 1.00 0.00 H new ATOM 0 HB3 LEU A 399 10.204 -2.867 -0.875 1.00 0.00 H new ATOM 0 HG LEU A 399 11.381 -3.834 1.059 1.00 0.00 H new ATOM 0 HD11 LEU A 399 10.442 -5.799 2.211 1.00 0.00 H new ATOM 0 HD12 LEU A 399 9.444 -4.347 2.463 1.00 0.00 H new ATOM 0 HD13 LEU A 399 8.921 -5.596 1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 399 11.721 -6.087 0.120 1.00 0.00 H new ATOM 0 HD22 LEU A 399 10.250 -5.895 -0.863 1.00 0.00 H new ATOM 0 HD23 LEU A 399 11.657 -4.845 -1.153 1.00 0.00 H new ATOM 517 N VAL A 400 9.971 -1.041 2.703 1.00 0.00 N ATOM 518 CA VAL A 400 10.968 -0.258 3.423 1.00 0.00 C ATOM 519 C VAL A 400 12.136 -1.132 3.868 1.00 0.00 C ATOM 520 O VAL A 400 11.958 -2.091 4.619 1.00 0.00 O ATOM 521 CB VAL A 400 10.357 0.430 4.658 1.00 0.00 C ATOM 522 CG1 VAL A 400 11.416 1.224 5.407 1.00 0.00 C ATOM 523 CG2 VAL A 400 9.197 1.325 4.249 1.00 0.00 C ATOM 0 H VAL A 400 9.130 -1.250 3.241 1.00 0.00 H new ATOM 0 HA VAL A 400 11.330 0.505 2.733 1.00 0.00 H new ATOM 0 HB VAL A 400 9.974 -0.339 5.328 1.00 0.00 H new ATOM 0 HG11 VAL A 400 10.965 1.703 6.276 1.00 0.00 H new ATOM 0 HG12 VAL A 400 12.210 0.553 5.734 1.00 0.00 H new ATOM 0 HG13 VAL A 400 11.833 1.986 4.749 1.00 0.00 H new ATOM 0 HG21 VAL A 400 8.777 1.803 5.134 1.00 0.00 H new ATOM 0 HG22 VAL A 400 9.553 2.089 3.558 1.00 0.00 H new ATOM 0 HG23 VAL A 400 8.429 0.725 3.762 1.00 0.00 H new ATOM 533 N LYS A 401 13.332 -0.793 3.400 1.00 0.00 N ATOM 534 CA LYS A 401 14.532 -1.545 3.750 1.00 0.00 C ATOM 535 C LYS A 401 15.315 -0.837 4.851 1.00 0.00 C ATOM 536 O LYS A 401 16.104 0.068 4.580 1.00 0.00 O ATOM 537 CB LYS A 401 15.419 -1.731 2.517 1.00 0.00 C ATOM 538 CG LYS A 401 16.239 -3.009 2.546 1.00 0.00 C ATOM 539 CD LYS A 401 17.217 -3.019 3.708 1.00 0.00 C ATOM 540 CE LYS A 401 18.467 -3.821 3.379 1.00 0.00 C ATOM 541 NZ LYS A 401 19.640 -3.375 4.181 1.00 0.00 N ATOM 0 H LYS A 401 13.497 -0.002 2.777 1.00 0.00 H new ATOM 0 HA LYS A 401 14.224 -2.523 4.119 1.00 0.00 H new ATOM 0 HB2 LYS A 401 14.792 -1.731 1.625 1.00 0.00 H new ATOM 0 HB3 LYS A 401 16.093 -0.878 2.432 1.00 0.00 H new ATOM 0 HG2 LYS A 401 15.573 -3.868 2.623 1.00 0.00 H new ATOM 0 HG3 LYS A 401 16.786 -3.113 1.609 1.00 0.00 H new ATOM 0 HD2 LYS A 401 17.496 -1.996 3.959 1.00 0.00 H new ATOM 0 HD3 LYS A 401 16.733 -3.442 4.588 1.00 0.00 H new ATOM 0 HE2 LYS A 401 18.280 -4.878 3.567 1.00 0.00 H new ATOM 0 HE3 LYS A 401 18.694 -3.721 2.318 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 20.471 -3.946 3.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 19.835 -2.373 3.983 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 19.434 -3.494 5.193 1.00 0.00 H new ATOM 555 N TRP A 402 15.094 -1.257 6.091 1.00 0.00 N ATOM 556 CA TRP A 402 15.781 -0.664 7.233 1.00 0.00 C ATOM 557 C TRP A 402 16.730 -1.667 7.878 1.00 0.00 C ATOM 558 O TRP A 402 16.324 -2.466 8.723 1.00 0.00 O ATOM 559 CB TRP A 402 14.765 -0.168 8.264 1.00 0.00 C ATOM 560 CG TRP A 402 13.590 -1.083 8.428 1.00 0.00 C ATOM 561 CD1 TRP A 402 13.562 -2.430 8.202 1.00 0.00 C ATOM 562 CD2 TRP A 402 12.272 -0.718 8.851 1.00 0.00 C ATOM 563 NE1 TRP A 402 12.306 -2.924 8.459 1.00 0.00 N ATOM 564 CE2 TRP A 402 11.496 -1.894 8.860 1.00 0.00 C ATOM 565 CE3 TRP A 402 11.672 0.487 9.226 1.00 0.00 C ATOM 566 CZ2 TRP A 402 10.153 -1.897 9.227 1.00 0.00 C ATOM 567 CZ3 TRP A 402 10.339 0.483 9.589 1.00 0.00 C ATOM 568 CH2 TRP A 402 9.591 -0.703 9.589 1.00 0.00 C ATOM 0 H TRP A 402 14.445 -2.006 6.332 1.00 0.00 H new ATOM 0 HA TRP A 402 16.367 0.182 6.874 1.00 0.00 H new ATOM 0 HB2 TRP A 402 15.263 -0.051 9.227 1.00 0.00 H new ATOM 0 HB3 TRP A 402 14.409 0.819 7.967 1.00 0.00 H new ATOM 0 HD1 TRP A 402 14.404 -3.020 7.870 1.00 0.00 H new ATOM 0 HE1 TRP A 402 12.022 -3.899 8.366 1.00 0.00 H new ATOM 0 HE3 TRP A 402 12.240 1.405 9.232 1.00 0.00 H new ATOM 0 HZ2 TRP A 402 9.575 -2.809 9.226 1.00 0.00 H new ATOM 0 HZ3 TRP A 402 9.865 1.409 9.878 1.00 0.00 H new ATOM 0 HH2 TRP A 402 8.551 -0.674 9.880 1.00 0.00 H new ATOM 579 N CYS A 403 17.995 -1.620 7.476 1.00 0.00 N ATOM 580 CA CYS A 403 19.003 -2.526 8.016 1.00 0.00 C ATOM 581 C CYS A 403 18.814 -2.718 9.517 1.00 0.00 C ATOM 582 O CYS A 403 18.774 -3.845 10.009 1.00 0.00 O ATOM 583 CB CYS A 403 20.407 -1.990 7.731 1.00 0.00 C ATOM 584 SG CYS A 403 20.668 -0.283 8.267 1.00 0.00 S ATOM 0 H CYS A 403 18.347 -0.965 6.778 1.00 0.00 H new ATOM 0 HA CYS A 403 18.885 -3.493 7.527 1.00 0.00 H new ATOM 0 HB2 CYS A 403 21.136 -2.631 8.227 1.00 0.00 H new ATOM 0 HB3 CYS A 403 20.599 -2.057 6.660 1.00 0.00 H new ATOM 0 HG CYS A 403 21.132 0.417 7.275 1.00 0.00 H new ATOM 590 N SER A 404 18.700 -1.608 10.240 1.00 0.00 N ATOM 591 CA SER A 404 18.521 -1.654 11.687 1.00 0.00 C ATOM 592 C SER A 404 17.700 -2.873 12.095 1.00 0.00 C ATOM 593 O SER A 404 17.970 -3.504 13.118 1.00 0.00 O ATOM 594 CB SER A 404 17.836 -0.377 12.177 1.00 0.00 C ATOM 595 OG SER A 404 17.810 -0.323 13.593 1.00 0.00 O ATOM 0 H SER A 404 18.728 -0.667 9.848 1.00 0.00 H new ATOM 0 HA SER A 404 19.506 -1.731 12.148 1.00 0.00 H new ATOM 0 HB2 SER A 404 18.362 0.494 11.786 1.00 0.00 H new ATOM 0 HB3 SER A 404 16.818 -0.335 11.790 1.00 0.00 H new ATOM 0 HG SER A 404 17.369 0.503 13.881 1.00 0.00 H new ATOM 601 N LEU A 405 16.697 -3.200 11.288 1.00 0.00 N ATOM 602 CA LEU A 405 15.835 -4.344 11.563 1.00 0.00 C ATOM 603 C LEU A 405 16.263 -5.558 10.744 1.00 0.00 C ATOM 604 O LEU A 405 16.906 -5.438 9.701 1.00 0.00 O ATOM 605 CB LEU A 405 14.378 -3.996 11.256 1.00 0.00 C ATOM 606 CG LEU A 405 13.659 -3.138 12.297 1.00 0.00 C ATOM 607 CD1 LEU A 405 12.308 -2.679 11.771 1.00 0.00 C ATOM 608 CD2 LEU A 405 13.492 -3.908 13.599 1.00 0.00 C ATOM 0 H LEU A 405 16.460 -2.689 10.438 1.00 0.00 H new ATOM 0 HA LEU A 405 15.928 -4.591 12.621 1.00 0.00 H new ATOM 0 HB2 LEU A 405 14.344 -3.475 10.299 1.00 0.00 H new ATOM 0 HB3 LEU A 405 13.822 -4.925 11.133 1.00 0.00 H new ATOM 0 HG LEU A 405 14.268 -2.256 12.495 1.00 0.00 H new ATOM 0 HD11 LEU A 405 11.811 -2.070 12.526 1.00 0.00 H new ATOM 0 HD12 LEU A 405 12.451 -2.089 10.866 1.00 0.00 H new ATOM 0 HD13 LEU A 405 11.691 -3.549 11.544 1.00 0.00 H new ATOM 0 HD21 LEU A 405 12.978 -3.282 14.329 1.00 0.00 H new ATOM 0 HD22 LEU A 405 12.905 -4.808 13.417 1.00 0.00 H new ATOM 0 HD23 LEU A 405 14.472 -4.186 13.986 1.00 0.00 H new ATOM 620 N PRO A 406 15.897 -6.755 11.224 1.00 0.00 N ATOM 621 CA PRO A 406 16.230 -8.014 10.551 1.00 0.00 C ATOM 622 C PRO A 406 15.462 -8.194 9.246 1.00 0.00 C ATOM 623 O PRO A 406 14.284 -7.850 9.155 1.00 0.00 O ATOM 624 CB PRO A 406 15.815 -9.081 11.567 1.00 0.00 C ATOM 625 CG PRO A 406 14.759 -8.429 12.391 1.00 0.00 C ATOM 626 CD PRO A 406 15.130 -6.973 12.462 1.00 0.00 C ATOM 0 HA PRO A 406 17.282 -8.060 10.271 1.00 0.00 H new ATOM 0 HB2 PRO A 406 15.435 -9.974 11.071 1.00 0.00 H new ATOM 0 HB3 PRO A 406 16.660 -9.393 12.181 1.00 0.00 H new ATOM 0 HG2 PRO A 406 13.775 -8.560 11.940 1.00 0.00 H new ATOM 0 HG3 PRO A 406 14.714 -8.869 13.387 1.00 0.00 H new ATOM 0 HD2 PRO A 406 14.247 -6.335 12.505 1.00 0.00 H new ATOM 0 HD3 PRO A 406 15.726 -6.753 13.348 1.00 0.00 H new ATOM 634 N TYR A 407 16.137 -8.735 8.238 1.00 0.00 N ATOM 635 CA TYR A 407 15.519 -8.959 6.936 1.00 0.00 C ATOM 636 C TYR A 407 14.073 -9.419 7.093 1.00 0.00 C ATOM 637 O TYR A 407 13.171 -8.904 6.432 1.00 0.00 O ATOM 638 CB TYR A 407 16.313 -9.997 6.142 1.00 0.00 C ATOM 639 CG TYR A 407 17.415 -9.399 5.297 1.00 0.00 C ATOM 640 CD1 TYR A 407 17.142 -8.408 4.363 1.00 0.00 C ATOM 641 CD2 TYR A 407 18.731 -9.825 5.434 1.00 0.00 C ATOM 642 CE1 TYR A 407 18.146 -7.859 3.589 1.00 0.00 C ATOM 643 CE2 TYR A 407 19.742 -9.282 4.665 1.00 0.00 C ATOM 644 CZ TYR A 407 19.444 -8.299 3.744 1.00 0.00 C ATOM 645 OH TYR A 407 20.447 -7.755 2.975 1.00 0.00 O ATOM 0 H TYR A 407 17.113 -9.027 8.297 1.00 0.00 H new ATOM 0 HA TYR A 407 15.525 -8.015 6.392 1.00 0.00 H new ATOM 0 HB2 TYR A 407 16.748 -10.717 6.835 1.00 0.00 H new ATOM 0 HB3 TYR A 407 15.630 -10.549 5.496 1.00 0.00 H new ATOM 0 HD1 TYR A 407 16.127 -8.060 4.240 1.00 0.00 H new ATOM 0 HD2 TYR A 407 18.967 -10.594 6.154 1.00 0.00 H new ATOM 0 HE1 TYR A 407 17.916 -7.090 2.867 1.00 0.00 H new ATOM 0 HE2 TYR A 407 20.759 -9.625 4.784 1.00 0.00 H new ATOM 0 HH TYR A 407 21.302 -8.174 3.208 1.00 0.00 H new ATOM 655 N GLU A 408 13.860 -10.394 7.972 1.00 0.00 N ATOM 656 CA GLU A 408 12.524 -10.924 8.216 1.00 0.00 C ATOM 657 C GLU A 408 11.528 -9.796 8.465 1.00 0.00 C ATOM 658 O GLU A 408 10.405 -9.824 7.962 1.00 0.00 O ATOM 659 CB GLU A 408 12.540 -11.878 9.412 1.00 0.00 C ATOM 660 CG GLU A 408 13.246 -13.194 9.131 1.00 0.00 C ATOM 661 CD GLU A 408 12.324 -14.233 8.522 1.00 0.00 C ATOM 662 OE1 GLU A 408 11.280 -14.534 9.139 1.00 0.00 O ATOM 663 OE2 GLU A 408 12.646 -14.743 7.429 1.00 0.00 O ATOM 0 H GLU A 408 14.595 -10.832 8.526 1.00 0.00 H new ATOM 0 HA GLU A 408 12.211 -11.472 7.327 1.00 0.00 H new ATOM 0 HB2 GLU A 408 13.029 -11.385 10.253 1.00 0.00 H new ATOM 0 HB3 GLU A 408 11.514 -12.084 9.716 1.00 0.00 H new ATOM 0 HG2 GLU A 408 14.083 -13.016 8.456 1.00 0.00 H new ATOM 0 HG3 GLU A 408 13.663 -13.584 10.060 1.00 0.00 H new ATOM 670 N GLU A 409 11.948 -8.804 9.244 1.00 0.00 N ATOM 671 CA GLU A 409 11.092 -7.667 9.561 1.00 0.00 C ATOM 672 C GLU A 409 10.653 -6.946 8.290 1.00 0.00 C ATOM 673 O GLU A 409 9.619 -6.278 8.268 1.00 0.00 O ATOM 674 CB GLU A 409 11.822 -6.693 10.487 1.00 0.00 C ATOM 675 CG GLU A 409 10.897 -5.928 11.418 1.00 0.00 C ATOM 676 CD GLU A 409 10.059 -6.843 12.289 1.00 0.00 C ATOM 677 OE1 GLU A 409 10.616 -7.818 12.835 1.00 0.00 O ATOM 678 OE2 GLU A 409 8.845 -6.584 12.426 1.00 0.00 O ATOM 0 H GLU A 409 12.875 -8.765 9.667 1.00 0.00 H new ATOM 0 HA GLU A 409 10.204 -8.044 10.069 1.00 0.00 H new ATOM 0 HB2 GLU A 409 12.547 -7.247 11.084 1.00 0.00 H new ATOM 0 HB3 GLU A 409 12.384 -5.982 9.882 1.00 0.00 H new ATOM 0 HG2 GLU A 409 11.490 -5.270 12.054 1.00 0.00 H new ATOM 0 HG3 GLU A 409 10.238 -5.291 10.827 1.00 0.00 H new ATOM 685 N SER A 410 11.447 -7.085 7.233 1.00 0.00 N ATOM 686 CA SER A 410 11.144 -6.443 5.959 1.00 0.00 C ATOM 687 C SER A 410 9.637 -6.374 5.731 1.00 0.00 C ATOM 688 O SER A 410 8.983 -7.393 5.507 1.00 0.00 O ATOM 689 CB SER A 410 11.811 -7.202 4.811 1.00 0.00 C ATOM 690 OG SER A 410 13.207 -6.961 4.783 1.00 0.00 O ATOM 0 H SER A 410 12.305 -7.637 7.234 1.00 0.00 H new ATOM 0 HA SER A 410 11.536 -5.426 5.989 1.00 0.00 H new ATOM 0 HB2 SER A 410 11.625 -8.270 4.921 1.00 0.00 H new ATOM 0 HB3 SER A 410 11.367 -6.897 3.863 1.00 0.00 H new ATOM 0 HG SER A 410 13.644 -7.491 5.482 1.00 0.00 H new ATOM 696 N THR A 411 9.091 -5.164 5.790 1.00 0.00 N ATOM 697 CA THR A 411 7.661 -4.960 5.592 1.00 0.00 C ATOM 698 C THR A 411 7.399 -3.988 4.446 1.00 0.00 C ATOM 699 O THR A 411 8.303 -3.283 3.999 1.00 0.00 O ATOM 700 CB THR A 411 6.987 -4.424 6.869 1.00 0.00 C ATOM 701 OG1 THR A 411 5.643 -4.022 6.582 1.00 0.00 O ATOM 702 CG2 THR A 411 7.764 -3.245 7.437 1.00 0.00 C ATOM 0 H THR A 411 9.617 -4.310 5.973 1.00 0.00 H new ATOM 0 HA THR A 411 7.234 -5.932 5.346 1.00 0.00 H new ATOM 0 HB THR A 411 6.976 -5.223 7.610 1.00 0.00 H new ATOM 0 HG1 THR A 411 5.221 -3.684 7.399 1.00 0.00 H new ATOM 0 HG21 THR A 411 7.269 -2.883 8.338 1.00 0.00 H new ATOM 0 HG22 THR A 411 8.778 -3.561 7.682 1.00 0.00 H new ATOM 0 HG23 THR A 411 7.802 -2.445 6.698 1.00 0.00 H new ATOM 710 N TRP A 412 6.157 -3.957 3.977 1.00 0.00 N ATOM 711 CA TRP A 412 5.776 -3.071 2.883 1.00 0.00 C ATOM 712 C TRP A 412 4.862 -1.956 3.379 1.00 0.00 C ATOM 713 O TRP A 412 3.659 -1.965 3.118 1.00 0.00 O ATOM 714 CB TRP A 412 5.078 -3.864 1.776 1.00 0.00 C ATOM 715 CG TRP A 412 5.876 -5.038 1.295 1.00 0.00 C ATOM 716 CD1 TRP A 412 6.288 -6.108 2.036 1.00 0.00 C ATOM 717 CD2 TRP A 412 6.358 -5.259 -0.035 1.00 0.00 C ATOM 718 NE1 TRP A 412 6.997 -6.981 1.247 1.00 0.00 N ATOM 719 CE2 TRP A 412 7.054 -6.484 -0.028 1.00 0.00 C ATOM 720 CE3 TRP A 412 6.267 -4.543 -1.232 1.00 0.00 C ATOM 721 CZ2 TRP A 412 7.655 -7.005 -1.170 1.00 0.00 C ATOM 722 CZ3 TRP A 412 6.866 -5.061 -2.365 1.00 0.00 C ATOM 723 CH2 TRP A 412 7.552 -6.283 -2.328 1.00 0.00 C ATOM 0 H TRP A 412 5.397 -4.535 4.337 1.00 0.00 H new ATOM 0 HA TRP A 412 6.683 -2.620 2.481 1.00 0.00 H new ATOM 0 HB2 TRP A 412 4.113 -4.215 2.143 1.00 0.00 H new ATOM 0 HB3 TRP A 412 4.877 -3.201 0.935 1.00 0.00 H new ATOM 0 HD1 TRP A 412 6.086 -6.248 3.088 1.00 0.00 H new ATOM 0 HE1 TRP A 412 7.414 -7.858 1.560 1.00 0.00 H new ATOM 0 HE3 TRP A 412 5.738 -3.602 -1.271 1.00 0.00 H new ATOM 0 HZ2 TRP A 412 8.184 -7.946 -1.143 1.00 0.00 H new ATOM 0 HZ3 TRP A 412 6.804 -4.515 -3.295 1.00 0.00 H new ATOM 0 HH2 TRP A 412 8.008 -6.662 -3.231 1.00 0.00 H new ATOM 734 N GLU A 413 5.440 -0.997 4.095 1.00 0.00 N ATOM 735 CA GLU A 413 4.676 0.125 4.628 1.00 0.00 C ATOM 736 C GLU A 413 4.056 0.945 3.500 1.00 0.00 C ATOM 737 O GLU A 413 4.728 1.293 2.529 1.00 0.00 O ATOM 738 CB GLU A 413 5.571 1.017 5.491 1.00 0.00 C ATOM 739 CG GLU A 413 6.152 0.307 6.702 1.00 0.00 C ATOM 740 CD GLU A 413 5.262 0.418 7.925 1.00 0.00 C ATOM 741 OE1 GLU A 413 4.706 1.511 8.158 1.00 0.00 O ATOM 742 OE2 GLU A 413 5.123 -0.590 8.649 1.00 0.00 O ATOM 0 H GLU A 413 6.435 -0.974 4.319 1.00 0.00 H new ATOM 0 HA GLU A 413 3.873 -0.276 5.246 1.00 0.00 H new ATOM 0 HB2 GLU A 413 6.387 1.399 4.878 1.00 0.00 H new ATOM 0 HB3 GLU A 413 4.994 1.879 5.828 1.00 0.00 H new ATOM 0 HG2 GLU A 413 6.305 -0.745 6.463 1.00 0.00 H new ATOM 0 HG3 GLU A 413 7.131 0.728 6.930 1.00 0.00 H new ATOM 749 N LEU A 414 2.770 1.250 3.637 1.00 0.00 N ATOM 750 CA LEU A 414 2.058 2.029 2.630 1.00 0.00 C ATOM 751 C LEU A 414 2.767 3.353 2.364 1.00 0.00 C ATOM 752 O LEU A 414 3.675 3.740 3.098 1.00 0.00 O ATOM 753 CB LEU A 414 0.620 2.289 3.081 1.00 0.00 C ATOM 754 CG LEU A 414 -0.134 1.086 3.648 1.00 0.00 C ATOM 755 CD1 LEU A 414 -1.525 1.495 4.107 1.00 0.00 C ATOM 756 CD2 LEU A 414 -0.218 -0.027 2.613 1.00 0.00 C ATOM 0 H LEU A 414 2.200 0.970 4.435 1.00 0.00 H new ATOM 0 HA LEU A 414 2.044 1.454 1.704 1.00 0.00 H new ATOM 0 HB2 LEU A 414 0.634 3.073 3.838 1.00 0.00 H new ATOM 0 HB3 LEU A 414 0.058 2.677 2.231 1.00 0.00 H new ATOM 0 HG LEU A 414 0.416 0.712 4.512 1.00 0.00 H new ATOM 0 HD11 LEU A 414 -2.046 0.626 4.507 1.00 0.00 H new ATOM 0 HD12 LEU A 414 -1.443 2.257 4.882 1.00 0.00 H new ATOM 0 HD13 LEU A 414 -2.084 1.896 3.261 1.00 0.00 H new ATOM 0 HD21 LEU A 414 -0.758 -0.875 3.034 1.00 0.00 H new ATOM 0 HD22 LEU A 414 -0.744 0.336 1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 414 0.788 -0.340 2.333 1.00 0.00 H new ATOM 768 N GLU A 415 2.344 4.044 1.310 1.00 0.00 N ATOM 769 CA GLU A 415 2.938 5.326 0.949 1.00 0.00 C ATOM 770 C GLU A 415 2.699 6.364 2.042 1.00 0.00 C ATOM 771 O GLU A 415 3.589 7.146 2.374 1.00 0.00 O ATOM 772 CB GLU A 415 2.361 5.825 -0.377 1.00 0.00 C ATOM 773 CG GLU A 415 3.304 6.735 -1.147 1.00 0.00 C ATOM 774 CD GLU A 415 2.621 7.438 -2.304 1.00 0.00 C ATOM 775 OE1 GLU A 415 1.725 6.828 -2.925 1.00 0.00 O ATOM 776 OE2 GLU A 415 2.982 8.599 -2.588 1.00 0.00 O ATOM 0 H GLU A 415 1.593 3.738 0.692 1.00 0.00 H new ATOM 0 HA GLU A 415 4.013 5.181 0.838 1.00 0.00 H new ATOM 0 HB2 GLU A 415 2.109 4.967 -1.000 1.00 0.00 H new ATOM 0 HB3 GLU A 415 1.432 6.361 -0.181 1.00 0.00 H new ATOM 0 HG2 GLU A 415 3.719 7.480 -0.468 1.00 0.00 H new ATOM 0 HG3 GLU A 415 4.141 6.148 -1.526 1.00 0.00 H new ATOM 783 N GLU A 416 1.492 6.363 2.598 1.00 0.00 N ATOM 784 CA GLU A 416 1.136 7.305 3.652 1.00 0.00 C ATOM 785 C GLU A 416 2.028 7.114 4.876 1.00 0.00 C ATOM 786 O GLU A 416 2.549 8.080 5.433 1.00 0.00 O ATOM 787 CB GLU A 416 -0.333 7.133 4.047 1.00 0.00 C ATOM 788 CG GLU A 416 -0.670 5.737 4.544 1.00 0.00 C ATOM 789 CD GLU A 416 -2.138 5.397 4.377 1.00 0.00 C ATOM 790 OE1 GLU A 416 -2.981 6.106 4.964 1.00 0.00 O ATOM 791 OE2 GLU A 416 -2.444 4.422 3.659 1.00 0.00 O ATOM 0 H GLU A 416 0.744 5.720 2.336 1.00 0.00 H new ATOM 0 HA GLU A 416 1.286 8.314 3.267 1.00 0.00 H new ATOM 0 HB2 GLU A 416 -0.578 7.856 4.825 1.00 0.00 H new ATOM 0 HB3 GLU A 416 -0.961 7.365 3.187 1.00 0.00 H new ATOM 0 HG2 GLU A 416 -0.068 5.007 4.002 1.00 0.00 H new ATOM 0 HG3 GLU A 416 -0.399 5.655 5.597 1.00 0.00 H new ATOM 798 N ASP A 417 2.197 5.862 5.287 1.00 0.00 N ATOM 799 CA ASP A 417 3.026 5.544 6.444 1.00 0.00 C ATOM 800 C ASP A 417 4.489 5.880 6.173 1.00 0.00 C ATOM 801 O ASP A 417 5.184 6.416 7.037 1.00 0.00 O ATOM 802 CB ASP A 417 2.889 4.064 6.805 1.00 0.00 C ATOM 803 CG ASP A 417 1.645 3.781 7.625 1.00 0.00 C ATOM 804 OD1 ASP A 417 1.328 4.592 8.520 1.00 0.00 O ATOM 805 OD2 ASP A 417 0.990 2.748 7.374 1.00 0.00 O ATOM 0 H ASP A 417 1.772 5.052 4.837 1.00 0.00 H new ATOM 0 HA ASP A 417 2.682 6.148 7.283 1.00 0.00 H new ATOM 0 HB2 ASP A 417 2.861 3.471 5.891 1.00 0.00 H new ATOM 0 HB3 ASP A 417 3.769 3.746 7.364 1.00 0.00 H new ATOM 810 N VAL A 418 4.952 5.560 4.969 1.00 0.00 N ATOM 811 CA VAL A 418 6.333 5.828 4.584 1.00 0.00 C ATOM 812 C VAL A 418 6.535 7.302 4.254 1.00 0.00 C ATOM 813 O VAL A 418 5.668 7.939 3.655 1.00 0.00 O ATOM 814 CB VAL A 418 6.752 4.979 3.369 1.00 0.00 C ATOM 815 CG1 VAL A 418 8.167 5.329 2.936 1.00 0.00 C ATOM 816 CG2 VAL A 418 6.635 3.496 3.690 1.00 0.00 C ATOM 0 H VAL A 418 4.391 5.115 4.243 1.00 0.00 H new ATOM 0 HA VAL A 418 6.957 5.561 5.437 1.00 0.00 H new ATOM 0 HB VAL A 418 6.079 5.203 2.541 1.00 0.00 H new ATOM 0 HG11 VAL A 418 8.446 4.719 2.077 1.00 0.00 H new ATOM 0 HG12 VAL A 418 8.214 6.383 2.663 1.00 0.00 H new ATOM 0 HG13 VAL A 418 8.857 5.136 3.757 1.00 0.00 H new ATOM 0 HG21 VAL A 418 6.935 2.911 2.821 1.00 0.00 H new ATOM 0 HG22 VAL A 418 7.284 3.254 4.532 1.00 0.00 H new ATOM 0 HG23 VAL A 418 5.603 3.260 3.948 1.00 0.00 H new ATOM 826 N ASP A 419 7.684 7.839 4.648 1.00 0.00 N ATOM 827 CA ASP A 419 8.001 9.239 4.393 1.00 0.00 C ATOM 828 C ASP A 419 8.100 9.510 2.894 1.00 0.00 C ATOM 829 O ASP A 419 8.613 8.697 2.125 1.00 0.00 O ATOM 830 CB ASP A 419 9.314 9.621 5.080 1.00 0.00 C ATOM 831 CG ASP A 419 9.349 11.079 5.491 1.00 0.00 C ATOM 832 OD1 ASP A 419 8.518 11.479 6.332 1.00 0.00 O ATOM 833 OD2 ASP A 419 10.209 11.822 4.971 1.00 0.00 O ATOM 0 H ASP A 419 8.412 7.326 5.145 1.00 0.00 H new ATOM 0 HA ASP A 419 7.195 9.848 4.802 1.00 0.00 H new ATOM 0 HB2 ASP A 419 9.455 8.995 5.961 1.00 0.00 H new ATOM 0 HB3 ASP A 419 10.146 9.416 4.406 1.00 0.00 H new ATOM 838 N PRO A 420 7.597 10.678 2.469 1.00 0.00 N ATOM 839 CA PRO A 420 7.616 11.082 1.060 1.00 0.00 C ATOM 840 C PRO A 420 9.024 11.396 0.566 1.00 0.00 C ATOM 841 O PRO A 420 9.355 11.152 -0.594 1.00 0.00 O ATOM 842 CB PRO A 420 6.749 12.343 1.041 1.00 0.00 C ATOM 843 CG PRO A 420 6.842 12.888 2.425 1.00 0.00 C ATOM 844 CD PRO A 420 6.972 11.695 3.331 1.00 0.00 C ATOM 0 HA PRO A 420 7.255 10.290 0.404 1.00 0.00 H new ATOM 0 HB2 PRO A 420 7.113 13.062 0.307 1.00 0.00 H new ATOM 0 HB3 PRO A 420 5.718 12.110 0.776 1.00 0.00 H new ATOM 0 HG2 PRO A 420 7.701 13.551 2.527 1.00 0.00 H new ATOM 0 HG3 PRO A 420 5.957 13.473 2.674 1.00 0.00 H new ATOM 0 HD2 PRO A 420 7.588 11.917 4.202 1.00 0.00 H new ATOM 0 HD3 PRO A 420 6.002 11.365 3.703 1.00 0.00 H new ATOM 852 N ALA A 421 9.851 11.939 1.455 1.00 0.00 N ATOM 853 CA ALA A 421 11.224 12.284 1.109 1.00 0.00 C ATOM 854 C ALA A 421 11.995 11.058 0.631 1.00 0.00 C ATOM 855 O ALA A 421 12.652 11.092 -0.409 1.00 0.00 O ATOM 856 CB ALA A 421 11.925 12.919 2.302 1.00 0.00 C ATOM 0 H ALA A 421 9.593 12.149 2.419 1.00 0.00 H new ATOM 0 HA ALA A 421 11.196 13.004 0.291 1.00 0.00 H new ATOM 0 HB1 ALA A 421 12.950 13.172 2.030 1.00 0.00 H new ATOM 0 HB2 ALA A 421 11.394 13.824 2.597 1.00 0.00 H new ATOM 0 HB3 ALA A 421 11.934 12.216 3.135 1.00 0.00 H new ATOM 862 N LYS A 422 11.910 9.976 1.398 1.00 0.00 N ATOM 863 CA LYS A 422 12.598 8.738 1.053 1.00 0.00 C ATOM 864 C LYS A 422 12.178 8.249 -0.329 1.00 0.00 C ATOM 865 O LYS A 422 13.019 7.899 -1.158 1.00 0.00 O ATOM 866 CB LYS A 422 12.306 7.660 2.098 1.00 0.00 C ATOM 867 CG LYS A 422 12.804 8.010 3.490 1.00 0.00 C ATOM 868 CD LYS A 422 14.310 7.847 3.600 1.00 0.00 C ATOM 869 CE LYS A 422 14.894 8.768 4.661 1.00 0.00 C ATOM 870 NZ LYS A 422 14.836 8.158 6.018 1.00 0.00 N ATOM 0 H LYS A 422 11.371 9.932 2.263 1.00 0.00 H new ATOM 0 HA LYS A 422 13.669 8.939 1.037 1.00 0.00 H new ATOM 0 HB2 LYS A 422 11.230 7.488 2.139 1.00 0.00 H new ATOM 0 HB3 LYS A 422 12.767 6.724 1.781 1.00 0.00 H new ATOM 0 HG2 LYS A 422 12.530 9.038 3.728 1.00 0.00 H new ATOM 0 HG3 LYS A 422 12.313 7.371 4.224 1.00 0.00 H new ATOM 0 HD2 LYS A 422 14.548 6.812 3.844 1.00 0.00 H new ATOM 0 HD3 LYS A 422 14.772 8.062 2.636 1.00 0.00 H new ATOM 0 HE2 LYS A 422 15.929 8.999 4.411 1.00 0.00 H new ATOM 0 HE3 LYS A 422 14.348 9.711 4.663 1.00 0.00 H new ATOM 0 HZ1 LYS A 422 15.243 8.817 6.712 1.00 0.00 H new ATOM 0 HZ2 LYS A 422 13.846 7.960 6.268 1.00 0.00 H new ATOM 0 HZ3 LYS A 422 15.378 7.271 6.023 1.00 0.00 H new ATOM 884 N VAL A 423 10.871 8.227 -0.573 1.00 0.00 N ATOM 885 CA VAL A 423 10.340 7.783 -1.856 1.00 0.00 C ATOM 886 C VAL A 423 10.950 8.574 -3.007 1.00 0.00 C ATOM 887 O VAL A 423 11.568 8.006 -3.907 1.00 0.00 O ATOM 888 CB VAL A 423 8.807 7.922 -1.907 1.00 0.00 C ATOM 889 CG1 VAL A 423 8.274 7.470 -3.258 1.00 0.00 C ATOM 890 CG2 VAL A 423 8.163 7.130 -0.779 1.00 0.00 C ATOM 0 H VAL A 423 10.161 8.512 0.101 1.00 0.00 H new ATOM 0 HA VAL A 423 10.606 6.731 -1.962 1.00 0.00 H new ATOM 0 HB VAL A 423 8.550 8.973 -1.775 1.00 0.00 H new ATOM 0 HG11 VAL A 423 7.189 7.575 -3.275 1.00 0.00 H new ATOM 0 HG12 VAL A 423 8.711 8.084 -4.045 1.00 0.00 H new ATOM 0 HG13 VAL A 423 8.540 6.426 -3.423 1.00 0.00 H new ATOM 0 HG21 VAL A 423 7.080 7.239 -0.830 1.00 0.00 H new ATOM 0 HG22 VAL A 423 8.426 6.077 -0.877 1.00 0.00 H new ATOM 0 HG23 VAL A 423 8.521 7.506 0.180 1.00 0.00 H new ATOM 900 N LYS A 424 10.772 9.891 -2.972 1.00 0.00 N ATOM 901 CA LYS A 424 11.306 10.763 -4.011 1.00 0.00 C ATOM 902 C LYS A 424 12.674 10.277 -4.480 1.00 0.00 C ATOM 903 O LYS A 424 12.883 10.040 -5.669 1.00 0.00 O ATOM 904 CB LYS A 424 11.414 12.200 -3.494 1.00 0.00 C ATOM 905 CG LYS A 424 11.255 13.250 -4.579 1.00 0.00 C ATOM 906 CD LYS A 424 11.927 14.557 -4.193 1.00 0.00 C ATOM 907 CE LYS A 424 11.006 15.431 -3.355 1.00 0.00 C ATOM 908 NZ LYS A 424 11.736 16.574 -2.738 1.00 0.00 N ATOM 0 H LYS A 424 10.262 10.377 -2.235 1.00 0.00 H new ATOM 0 HA LYS A 424 10.621 10.738 -4.858 1.00 0.00 H new ATOM 0 HB2 LYS A 424 10.653 12.361 -2.730 1.00 0.00 H new ATOM 0 HB3 LYS A 424 12.383 12.332 -3.012 1.00 0.00 H new ATOM 0 HG2 LYS A 424 11.684 12.880 -5.510 1.00 0.00 H new ATOM 0 HG3 LYS A 424 10.195 13.426 -4.764 1.00 0.00 H new ATOM 0 HD2 LYS A 424 12.839 14.347 -3.634 1.00 0.00 H new ATOM 0 HD3 LYS A 424 12.222 15.096 -5.094 1.00 0.00 H new ATOM 0 HE2 LYS A 424 10.198 15.811 -3.980 1.00 0.00 H new ATOM 0 HE3 LYS A 424 10.547 14.828 -2.572 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 11.074 17.146 -2.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 12.491 16.212 -2.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 12.153 17.164 -3.486 1.00 0.00 H new ATOM 922 N GLU A 425 13.600 10.129 -3.538 1.00 0.00 N ATOM 923 CA GLU A 425 14.947 9.670 -3.857 1.00 0.00 C ATOM 924 C GLU A 425 14.904 8.357 -4.633 1.00 0.00 C ATOM 925 O GLU A 425 15.424 8.263 -5.745 1.00 0.00 O ATOM 926 CB GLU A 425 15.765 9.492 -2.577 1.00 0.00 C ATOM 927 CG GLU A 425 17.267 9.491 -2.810 1.00 0.00 C ATOM 928 CD GLU A 425 18.053 9.796 -1.550 1.00 0.00 C ATOM 929 OE1 GLU A 425 17.987 8.988 -0.600 1.00 0.00 O ATOM 930 OE2 GLU A 425 18.733 10.842 -1.513 1.00 0.00 O ATOM 0 H GLU A 425 13.442 10.320 -2.549 1.00 0.00 H new ATOM 0 HA GLU A 425 15.423 10.426 -4.482 1.00 0.00 H new ATOM 0 HB2 GLU A 425 15.514 10.293 -1.881 1.00 0.00 H new ATOM 0 HB3 GLU A 425 15.479 8.554 -2.100 1.00 0.00 H new ATOM 0 HG2 GLU A 425 17.570 8.518 -3.196 1.00 0.00 H new ATOM 0 HG3 GLU A 425 17.513 10.228 -3.574 1.00 0.00 H new ATOM 937 N PHE A 426 14.281 7.345 -4.038 1.00 0.00 N ATOM 938 CA PHE A 426 14.172 6.036 -4.672 1.00 0.00 C ATOM 939 C PHE A 426 13.694 6.169 -6.115 1.00 0.00 C ATOM 940 O PHE A 426 14.177 5.469 -7.006 1.00 0.00 O ATOM 941 CB PHE A 426 13.210 5.144 -3.885 1.00 0.00 C ATOM 942 CG PHE A 426 12.850 3.872 -4.600 1.00 0.00 C ATOM 943 CD1 PHE A 426 13.787 2.864 -4.761 1.00 0.00 C ATOM 944 CD2 PHE A 426 11.576 3.685 -5.110 1.00 0.00 C ATOM 945 CE1 PHE A 426 13.460 1.693 -5.418 1.00 0.00 C ATOM 946 CE2 PHE A 426 11.243 2.516 -5.768 1.00 0.00 C ATOM 947 CZ PHE A 426 12.186 1.519 -5.923 1.00 0.00 C ATOM 0 H PHE A 426 13.844 7.406 -3.118 1.00 0.00 H new ATOM 0 HA PHE A 426 15.161 5.578 -4.676 1.00 0.00 H new ATOM 0 HB2 PHE A 426 13.661 4.896 -2.924 1.00 0.00 H new ATOM 0 HB3 PHE A 426 12.299 5.703 -3.674 1.00 0.00 H new ATOM 0 HD1 PHE A 426 14.785 2.995 -4.368 1.00 0.00 H new ATOM 0 HD2 PHE A 426 10.834 4.461 -4.992 1.00 0.00 H new ATOM 0 HE1 PHE A 426 14.200 0.915 -5.536 1.00 0.00 H new ATOM 0 HE2 PHE A 426 10.246 2.382 -6.161 1.00 0.00 H new ATOM 0 HZ PHE A 426 11.928 0.605 -6.438 1.00 0.00 H new ATOM 957 N GLU A 427 12.743 7.071 -6.337 1.00 0.00 N ATOM 958 CA GLU A 427 12.200 7.294 -7.672 1.00 0.00 C ATOM 959 C GLU A 427 13.223 7.987 -8.567 1.00 0.00 C ATOM 960 O GLU A 427 13.427 7.593 -9.715 1.00 0.00 O ATOM 961 CB GLU A 427 10.924 8.134 -7.593 1.00 0.00 C ATOM 962 CG GLU A 427 9.740 7.389 -6.999 1.00 0.00 C ATOM 963 CD GLU A 427 8.444 8.167 -7.113 1.00 0.00 C ATOM 964 OE1 GLU A 427 7.861 8.191 -8.217 1.00 0.00 O ATOM 965 OE2 GLU A 427 8.012 8.753 -6.098 1.00 0.00 O ATOM 0 H GLU A 427 12.333 7.658 -5.611 1.00 0.00 H new ATOM 0 HA GLU A 427 11.962 6.323 -8.106 1.00 0.00 H new ATOM 0 HB2 GLU A 427 11.121 9.023 -6.994 1.00 0.00 H new ATOM 0 HB3 GLU A 427 10.662 8.476 -8.594 1.00 0.00 H new ATOM 0 HG2 GLU A 427 9.629 6.430 -7.504 1.00 0.00 H new ATOM 0 HG3 GLU A 427 9.940 7.175 -5.949 1.00 0.00 H new ATOM 972 N SER A 428 13.863 9.022 -8.033 1.00 0.00 N ATOM 973 CA SER A 428 14.862 9.773 -8.784 1.00 0.00 C ATOM 974 C SER A 428 15.720 8.839 -9.632 1.00 0.00 C ATOM 975 O SER A 428 16.143 9.194 -10.733 1.00 0.00 O ATOM 976 CB SER A 428 15.751 10.576 -7.831 1.00 0.00 C ATOM 977 OG SER A 428 16.657 11.396 -8.548 1.00 0.00 O ATOM 0 H SER A 428 13.708 9.360 -7.083 1.00 0.00 H new ATOM 0 HA SER A 428 14.339 10.461 -9.448 1.00 0.00 H new ATOM 0 HB2 SER A 428 15.130 11.195 -7.184 1.00 0.00 H new ATOM 0 HB3 SER A 428 16.305 9.895 -7.185 1.00 0.00 H new ATOM 0 HG SER A 428 17.212 11.900 -7.917 1.00 0.00 H new