USER MOD reduce.3.24.130724 H: found=0, std=0, add=398, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 397 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 401 LYS NZ :NH3+ -115:sc= -1.86! (180deg=-5.43!) USER MOD Set 1.2: A 410 SER OG : rot 22:sc= 1.2 USER MOD Single : A 385 HIS : no HD1:sc= -0.494 X(o=-0.49,f=-0.69) USER MOD Single : A 386 THR OG1 : rot 180:sc= 0 USER MOD Single : A 387 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 397 HIS : no HD1:sc= -0.157 X(o=-0.16,f=0.024) USER MOD Single : A 398 TYR OH : rot 180:sc= 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 411 THR OG1 : rot -112:sc= 1.05 USER MOD Single : A 422 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0284) 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 14.434 3.778 9.313 1.00 0.00 N ATOM 159 CA VAL A 377 14.471 3.228 7.964 1.00 0.00 C ATOM 160 C VAL A 377 15.851 3.401 7.338 1.00 0.00 C ATOM 161 O VAL A 377 16.466 4.462 7.450 1.00 0.00 O ATOM 162 CB VAL A 377 13.420 3.894 7.056 1.00 0.00 C ATOM 163 CG1 VAL A 377 13.470 3.300 5.657 1.00 0.00 C ATOM 164 CG2 VAL A 377 12.030 3.750 7.657 1.00 0.00 C ATOM 0 HA VAL A 377 14.244 2.165 8.049 1.00 0.00 H new ATOM 0 HB VAL A 377 13.650 4.957 6.981 1.00 0.00 H new ATOM 0 HG11 VAL A 377 12.721 3.783 5.030 1.00 0.00 H new ATOM 0 HG12 VAL A 377 14.459 3.460 5.229 1.00 0.00 H new ATOM 0 HG13 VAL A 377 13.266 2.231 5.708 1.00 0.00 H new ATOM 0 HG21 VAL A 377 11.300 4.226 7.003 1.00 0.00 H new ATOM 0 HG22 VAL A 377 11.787 2.693 7.763 1.00 0.00 H new ATOM 0 HG23 VAL A 377 12.006 4.228 8.636 1.00 0.00 H new ATOM 174 N ASP A 378 16.331 2.353 6.679 1.00 0.00 N ATOM 175 CA ASP A 378 17.638 2.389 6.033 1.00 0.00 C ATOM 176 C ASP A 378 17.513 2.831 4.578 1.00 0.00 C ATOM 177 O ASP A 378 18.231 3.724 4.127 1.00 0.00 O ATOM 178 CB ASP A 378 18.304 1.014 6.105 1.00 0.00 C ATOM 179 CG ASP A 378 19.694 1.012 5.500 1.00 0.00 C ATOM 180 OD1 ASP A 378 19.816 1.299 4.290 1.00 0.00 O ATOM 181 OD2 ASP A 378 20.661 0.725 6.237 1.00 0.00 O ATOM 0 H ASP A 378 15.835 1.468 6.578 1.00 0.00 H new ATOM 0 HA ASP A 378 18.258 3.113 6.562 1.00 0.00 H new ATOM 0 HB2 ASP A 378 18.363 0.696 7.146 1.00 0.00 H new ATOM 0 HB3 ASP A 378 17.683 0.285 5.584 1.00 0.00 H new ATOM 186 N ARG A 379 16.597 2.201 3.850 1.00 0.00 N ATOM 187 CA ARG A 379 16.380 2.529 2.446 1.00 0.00 C ATOM 188 C ARG A 379 15.174 1.776 1.892 1.00 0.00 C ATOM 189 O ARG A 379 14.502 1.042 2.617 1.00 0.00 O ATOM 190 CB ARG A 379 17.626 2.193 1.623 1.00 0.00 C ATOM 191 CG ARG A 379 17.820 0.704 1.392 1.00 0.00 C ATOM 192 CD ARG A 379 18.974 0.434 0.439 1.00 0.00 C ATOM 193 NE ARG A 379 20.268 0.725 1.050 1.00 0.00 N ATOM 194 CZ ARG A 379 21.360 1.019 0.354 1.00 0.00 C ATOM 195 NH1 ARG A 379 21.315 1.061 -0.971 1.00 0.00 N ATOM 196 NH2 ARG A 379 22.501 1.272 0.982 1.00 0.00 N ATOM 0 H ARG A 379 15.994 1.461 4.209 1.00 0.00 H new ATOM 0 HA ARG A 379 16.183 3.599 2.375 1.00 0.00 H new ATOM 0 HB2 ARG A 379 17.560 2.696 0.658 1.00 0.00 H new ATOM 0 HB3 ARG A 379 18.505 2.591 2.131 1.00 0.00 H new ATOM 0 HG2 ARG A 379 18.010 0.209 2.344 1.00 0.00 H new ATOM 0 HG3 ARG A 379 16.904 0.275 0.986 1.00 0.00 H new ATOM 0 HD2 ARG A 379 18.948 -0.609 0.125 1.00 0.00 H new ATOM 0 HD3 ARG A 379 18.852 1.040 -0.459 1.00 0.00 H new ATOM 0 HE ARG A 379 20.337 0.701 2.067 1.00 0.00 H new ATOM 0 HH11 ARG A 379 20.440 0.867 -1.458 1.00 0.00 H new ATOM 0 HH12 ARG A 379 22.155 1.287 -1.503 1.00 0.00 H new ATOM 0 HH21 ARG A 379 22.540 1.241 2.001 1.00 0.00 H new ATOM 0 HH22 ARG A 379 23.339 1.498 0.446 1.00 0.00 H new ATOM 210 N ILE A 380 14.906 1.963 0.604 1.00 0.00 N ATOM 211 CA ILE A 380 13.782 1.301 -0.046 1.00 0.00 C ATOM 212 C ILE A 380 14.263 0.264 -1.054 1.00 0.00 C ATOM 213 O ILE A 380 15.131 0.542 -1.883 1.00 0.00 O ATOM 214 CB ILE A 380 12.871 2.315 -0.764 1.00 0.00 C ATOM 215 CG1 ILE A 380 12.335 3.346 0.231 1.00 0.00 C ATOM 216 CG2 ILE A 380 11.725 1.596 -1.460 1.00 0.00 C ATOM 217 CD1 ILE A 380 11.599 4.493 -0.426 1.00 0.00 C ATOM 0 H ILE A 380 15.452 2.568 -0.010 1.00 0.00 H new ATOM 0 HA ILE A 380 13.212 0.804 0.738 1.00 0.00 H new ATOM 0 HB ILE A 380 13.458 2.838 -1.519 1.00 0.00 H new ATOM 0 HG12 ILE A 380 11.665 2.848 0.932 1.00 0.00 H new ATOM 0 HG13 ILE A 380 13.166 3.744 0.813 1.00 0.00 H new ATOM 0 HG21 ILE A 380 11.090 2.325 -1.963 1.00 0.00 H new ATOM 0 HG22 ILE A 380 12.126 0.897 -2.194 1.00 0.00 H new ATOM 0 HG23 ILE A 380 11.137 1.050 -0.723 1.00 0.00 H new ATOM 0 HD11 ILE A 380 11.247 5.185 0.339 1.00 0.00 H new ATOM 0 HD12 ILE A 380 12.272 5.015 -1.106 1.00 0.00 H new ATOM 0 HD13 ILE A 380 10.747 4.106 -0.985 1.00 0.00 H new ATOM 229 N LEU A 381 13.693 -0.934 -0.980 1.00 0.00 N ATOM 230 CA LEU A 381 14.062 -2.015 -1.888 1.00 0.00 C ATOM 231 C LEU A 381 13.261 -1.935 -3.183 1.00 0.00 C ATOM 232 O LEU A 381 13.823 -1.734 -4.260 1.00 0.00 O ATOM 233 CB LEU A 381 13.836 -3.371 -1.217 1.00 0.00 C ATOM 234 CG LEU A 381 14.925 -3.830 -0.247 1.00 0.00 C ATOM 235 CD1 LEU A 381 14.439 -5.008 0.582 1.00 0.00 C ATOM 236 CD2 LEU A 381 16.193 -4.196 -1.004 1.00 0.00 C ATOM 0 H LEU A 381 12.974 -1.181 -0.301 1.00 0.00 H new ATOM 0 HA LEU A 381 15.120 -1.909 -2.130 1.00 0.00 H new ATOM 0 HB2 LEU A 381 12.889 -3.334 -0.678 1.00 0.00 H new ATOM 0 HB3 LEU A 381 13.730 -4.126 -1.996 1.00 0.00 H new ATOM 0 HG LEU A 381 15.154 -3.006 0.429 1.00 0.00 H new ATOM 0 HD11 LEU A 381 15.227 -5.321 1.267 1.00 0.00 H new ATOM 0 HD12 LEU A 381 13.559 -4.713 1.153 1.00 0.00 H new ATOM 0 HD13 LEU A 381 14.182 -5.836 -0.078 1.00 0.00 H new ATOM 0 HD21 LEU A 381 16.957 -4.520 -0.298 1.00 0.00 H new ATOM 0 HD22 LEU A 381 15.979 -5.004 -1.704 1.00 0.00 H new ATOM 0 HD23 LEU A 381 16.553 -3.326 -1.554 1.00 0.00 H new ATOM 248 N GLU A 382 11.946 -2.093 -3.070 1.00 0.00 N ATOM 249 CA GLU A 382 11.068 -2.037 -4.233 1.00 0.00 C ATOM 250 C GLU A 382 9.650 -1.649 -3.826 1.00 0.00 C ATOM 251 O GLU A 382 9.259 -1.805 -2.669 1.00 0.00 O ATOM 252 CB GLU A 382 11.052 -3.388 -4.953 1.00 0.00 C ATOM 253 CG GLU A 382 10.790 -3.279 -6.445 1.00 0.00 C ATOM 254 CD GLU A 382 11.913 -2.578 -7.185 1.00 0.00 C ATOM 255 OE1 GLU A 382 12.794 -1.999 -6.514 1.00 0.00 O ATOM 256 OE2 GLU A 382 11.911 -2.607 -8.433 1.00 0.00 O ATOM 0 H GLU A 382 11.466 -2.261 -2.186 1.00 0.00 H new ATOM 0 HA GLU A 382 11.454 -1.276 -4.911 1.00 0.00 H new ATOM 0 HB2 GLU A 382 12.009 -3.885 -4.796 1.00 0.00 H new ATOM 0 HB3 GLU A 382 10.287 -4.021 -4.504 1.00 0.00 H new ATOM 0 HG2 GLU A 382 10.654 -4.278 -6.860 1.00 0.00 H new ATOM 0 HG3 GLU A 382 9.859 -2.737 -6.608 1.00 0.00 H new ATOM 263 N VAL A 383 8.883 -1.141 -4.786 1.00 0.00 N ATOM 264 CA VAL A 383 7.508 -0.730 -4.528 1.00 0.00 C ATOM 265 C VAL A 383 6.525 -1.551 -5.355 1.00 0.00 C ATOM 266 O VAL A 383 6.827 -1.955 -6.477 1.00 0.00 O ATOM 267 CB VAL A 383 7.301 0.764 -4.841 1.00 0.00 C ATOM 268 CG1 VAL A 383 7.520 1.036 -6.321 1.00 0.00 C ATOM 269 CG2 VAL A 383 5.912 1.211 -4.409 1.00 0.00 C ATOM 0 H VAL A 383 9.191 -1.004 -5.749 1.00 0.00 H new ATOM 0 HA VAL A 383 7.320 -0.902 -3.468 1.00 0.00 H new ATOM 0 HB VAL A 383 8.036 1.340 -4.278 1.00 0.00 H new ATOM 0 HG11 VAL A 383 7.369 2.097 -6.522 1.00 0.00 H new ATOM 0 HG12 VAL A 383 8.537 0.755 -6.596 1.00 0.00 H new ATOM 0 HG13 VAL A 383 6.811 0.451 -6.907 1.00 0.00 H new ATOM 0 HG21 VAL A 383 5.783 2.269 -4.637 1.00 0.00 H new ATOM 0 HG22 VAL A 383 5.160 0.630 -4.943 1.00 0.00 H new ATOM 0 HG23 VAL A 383 5.797 1.055 -3.336 1.00 0.00 H new ATOM 279 N ALA A 384 5.346 -1.796 -4.791 1.00 0.00 N ATOM 280 CA ALA A 384 4.317 -2.567 -5.477 1.00 0.00 C ATOM 281 C ALA A 384 2.947 -1.916 -5.321 1.00 0.00 C ATOM 282 O ALA A 384 2.536 -1.569 -4.213 1.00 0.00 O ATOM 283 CB ALA A 384 4.288 -3.994 -4.949 1.00 0.00 C ATOM 0 H ALA A 384 5.081 -1.472 -3.861 1.00 0.00 H new ATOM 0 HA ALA A 384 4.561 -2.588 -6.539 1.00 0.00 H new ATOM 0 HB1 ALA A 384 3.515 -4.559 -5.470 1.00 0.00 H new ATOM 0 HB2 ALA A 384 5.257 -4.464 -5.118 1.00 0.00 H new ATOM 0 HB3 ALA A 384 4.071 -3.982 -3.881 1.00 0.00 H new ATOM 289 N HIS A 385 2.245 -1.752 -6.438 1.00 0.00 N ATOM 290 CA HIS A 385 0.920 -1.141 -6.425 1.00 0.00 C ATOM 291 C HIS A 385 -0.167 -2.197 -6.605 1.00 0.00 C ATOM 292 O HIS A 385 -0.350 -2.735 -7.697 1.00 0.00 O ATOM 293 CB HIS A 385 0.811 -0.086 -7.526 1.00 0.00 C ATOM 294 CG HIS A 385 1.993 0.830 -7.598 1.00 0.00 C ATOM 295 ND1 HIS A 385 1.946 2.152 -7.209 1.00 0.00 N ATOM 296 CD2 HIS A 385 3.261 0.607 -8.015 1.00 0.00 C ATOM 297 CE1 HIS A 385 3.133 2.703 -7.386 1.00 0.00 C ATOM 298 NE2 HIS A 385 3.950 1.787 -7.874 1.00 0.00 N ATOM 0 H HIS A 385 2.571 -2.033 -7.363 1.00 0.00 H new ATOM 0 HA HIS A 385 0.778 -0.660 -5.457 1.00 0.00 H new ATOM 0 HB2 HIS A 385 0.691 -0.587 -8.487 1.00 0.00 H new ATOM 0 HB3 HIS A 385 -0.088 0.507 -7.361 1.00 0.00 H new ATOM 0 HD2 HIS A 385 3.657 -0.325 -8.389 1.00 0.00 H new ATOM 0 HE1 HIS A 385 3.392 3.729 -7.169 1.00 0.00 H new ATOM 0 HE2 HIS A 385 4.932 1.932 -8.108 1.00 0.00 H new ATOM 306 N THR A 386 -0.886 -2.490 -5.526 1.00 0.00 N ATOM 307 CA THR A 386 -1.952 -3.482 -5.564 1.00 0.00 C ATOM 308 C THR A 386 -3.217 -2.956 -4.895 1.00 0.00 C ATOM 309 O THR A 386 -3.187 -1.941 -4.198 1.00 0.00 O ATOM 310 CB THR A 386 -1.526 -4.792 -4.874 1.00 0.00 C ATOM 311 OG1 THR A 386 -1.083 -4.521 -3.539 1.00 0.00 O ATOM 312 CG2 THR A 386 -0.415 -5.477 -5.653 1.00 0.00 C ATOM 0 H THR A 386 -0.749 -2.054 -4.614 1.00 0.00 H new ATOM 0 HA THR A 386 -2.158 -3.684 -6.615 1.00 0.00 H new ATOM 0 HB THR A 386 -2.389 -5.457 -4.842 1.00 0.00 H new ATOM 0 HG1 THR A 386 -0.815 -5.359 -3.107 1.00 0.00 H new ATOM 0 HG21 THR A 386 -0.131 -6.399 -5.147 1.00 0.00 H new ATOM 0 HG22 THR A 386 -0.765 -5.708 -6.659 1.00 0.00 H new ATOM 0 HG23 THR A 386 0.449 -4.815 -5.713 1.00 0.00 H new ATOM 320 N LYS A 387 -4.328 -3.652 -5.109 1.00 0.00 N ATOM 321 CA LYS A 387 -5.604 -3.257 -4.525 1.00 0.00 C ATOM 322 C LYS A 387 -6.022 -4.227 -3.424 1.00 0.00 C ATOM 323 O LYS A 387 -5.517 -5.347 -3.346 1.00 0.00 O ATOM 324 CB LYS A 387 -6.686 -3.198 -5.606 1.00 0.00 C ATOM 325 CG LYS A 387 -6.926 -4.528 -6.299 1.00 0.00 C ATOM 326 CD LYS A 387 -8.183 -4.494 -7.152 1.00 0.00 C ATOM 327 CE LYS A 387 -7.925 -3.836 -8.499 1.00 0.00 C ATOM 328 NZ LYS A 387 -9.124 -3.887 -9.380 1.00 0.00 N ATOM 0 H LYS A 387 -4.370 -4.494 -5.683 1.00 0.00 H new ATOM 0 HA LYS A 387 -5.484 -2.267 -4.086 1.00 0.00 H new ATOM 0 HB2 LYS A 387 -7.619 -2.859 -5.156 1.00 0.00 H new ATOM 0 HB3 LYS A 387 -6.403 -2.455 -6.352 1.00 0.00 H new ATOM 0 HG2 LYS A 387 -6.068 -4.774 -6.924 1.00 0.00 H new ATOM 0 HG3 LYS A 387 -7.013 -5.318 -5.553 1.00 0.00 H new ATOM 0 HD2 LYS A 387 -8.547 -5.510 -7.306 1.00 0.00 H new ATOM 0 HD3 LYS A 387 -8.967 -3.951 -6.625 1.00 0.00 H new ATOM 0 HE2 LYS A 387 -7.631 -2.798 -8.346 1.00 0.00 H new ATOM 0 HE3 LYS A 387 -7.090 -4.334 -8.992 1.00 0.00 H new ATOM 0 HZ1 LYS A 387 -8.907 -3.428 -10.288 1.00 0.00 H new ATOM 0 HZ2 LYS A 387 -9.390 -4.878 -9.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 387 -9.914 -3.390 -8.921 1.00 0.00 H new ATOM 342 N ASP A 388 -6.947 -3.790 -2.577 1.00 0.00 N ATOM 343 CA ASP A 388 -7.435 -4.620 -1.482 1.00 0.00 C ATOM 344 C ASP A 388 -8.408 -5.678 -1.994 1.00 0.00 C ATOM 345 O ASP A 388 -8.968 -5.546 -3.082 1.00 0.00 O ATOM 346 CB ASP A 388 -8.116 -3.754 -0.421 1.00 0.00 C ATOM 347 CG ASP A 388 -8.073 -4.386 0.956 1.00 0.00 C ATOM 348 OD1 ASP A 388 -7.123 -5.148 1.230 1.00 0.00 O ATOM 349 OD2 ASP A 388 -8.991 -4.119 1.761 1.00 0.00 O ATOM 0 H ASP A 388 -7.374 -2.865 -2.628 1.00 0.00 H new ATOM 0 HA ASP A 388 -6.580 -5.125 -1.033 1.00 0.00 H new ATOM 0 HB2 ASP A 388 -7.630 -2.779 -0.385 1.00 0.00 H new ATOM 0 HB3 ASP A 388 -9.154 -3.583 -0.707 1.00 0.00 H new ATOM 354 N ALA A 389 -8.603 -6.728 -1.203 1.00 0.00 N ATOM 355 CA ALA A 389 -9.508 -7.807 -1.575 1.00 0.00 C ATOM 356 C ALA A 389 -10.953 -7.453 -1.240 1.00 0.00 C ATOM 357 O ALA A 389 -11.881 -7.878 -1.928 1.00 0.00 O ATOM 358 CB ALA A 389 -9.105 -9.098 -0.879 1.00 0.00 C ATOM 0 H ALA A 389 -8.146 -6.854 -0.300 1.00 0.00 H new ATOM 0 HA ALA A 389 -9.437 -7.951 -2.653 1.00 0.00 H new ATOM 0 HB1 ALA A 389 -9.790 -9.896 -1.166 1.00 0.00 H new ATOM 0 HB2 ALA A 389 -8.090 -9.368 -1.172 1.00 0.00 H new ATOM 0 HB3 ALA A 389 -9.145 -8.957 0.201 1.00 0.00 H new ATOM 364 N GLU A 390 -11.135 -6.672 -0.180 1.00 0.00 N ATOM 365 CA GLU A 390 -12.468 -6.262 0.246 1.00 0.00 C ATOM 366 C GLU A 390 -13.230 -5.609 -0.903 1.00 0.00 C ATOM 367 O GLU A 390 -14.256 -6.120 -1.355 1.00 0.00 O ATOM 368 CB GLU A 390 -12.376 -5.294 1.427 1.00 0.00 C ATOM 369 CG GLU A 390 -11.505 -5.801 2.564 1.00 0.00 C ATOM 370 CD GLU A 390 -11.414 -4.816 3.713 1.00 0.00 C ATOM 371 OE1 GLU A 390 -12.465 -4.278 4.117 1.00 0.00 O ATOM 372 OE2 GLU A 390 -10.291 -4.584 4.208 1.00 0.00 O ATOM 0 H GLU A 390 -10.377 -6.311 0.399 1.00 0.00 H new ATOM 0 HA GLU A 390 -13.011 -7.154 0.559 1.00 0.00 H new ATOM 0 HB2 GLU A 390 -11.981 -4.341 1.075 1.00 0.00 H new ATOM 0 HB3 GLU A 390 -13.379 -5.102 1.807 1.00 0.00 H new ATOM 0 HG2 GLU A 390 -11.907 -6.745 2.931 1.00 0.00 H new ATOM 0 HG3 GLU A 390 -10.503 -6.006 2.186 1.00 0.00 H new ATOM 379 N THR A 391 -12.721 -4.474 -1.373 1.00 0.00 N ATOM 380 CA THR A 391 -13.353 -3.749 -2.468 1.00 0.00 C ATOM 381 C THR A 391 -12.443 -3.697 -3.690 1.00 0.00 C ATOM 382 O THR A 391 -12.707 -4.347 -4.701 1.00 0.00 O ATOM 383 CB THR A 391 -13.719 -2.312 -2.053 1.00 0.00 C ATOM 384 OG1 THR A 391 -12.791 -1.834 -1.073 1.00 0.00 O ATOM 385 CG2 THR A 391 -15.132 -2.253 -1.493 1.00 0.00 C ATOM 0 H THR A 391 -11.873 -4.037 -1.012 1.00 0.00 H new ATOM 0 HA THR A 391 -14.265 -4.290 -2.720 1.00 0.00 H new ATOM 0 HB THR A 391 -13.670 -1.678 -2.938 1.00 0.00 H new ATOM 0 HG1 THR A 391 -13.029 -0.919 -0.816 1.00 0.00 H new ATOM 0 HG21 THR A 391 -15.367 -1.228 -1.207 1.00 0.00 H new ATOM 0 HG22 THR A 391 -15.838 -2.589 -2.252 1.00 0.00 H new ATOM 0 HG23 THR A 391 -15.204 -2.899 -0.618 1.00 0.00 H new ATOM 393 N GLY A 392 -11.369 -2.919 -3.591 1.00 0.00 N ATOM 394 CA GLY A 392 -10.436 -2.798 -4.695 1.00 0.00 C ATOM 395 C GLY A 392 -9.900 -1.388 -4.849 1.00 0.00 C ATOM 396 O GLY A 392 -9.861 -0.849 -5.954 1.00 0.00 O ATOM 0 H GLY A 392 -11.129 -2.370 -2.765 1.00 0.00 H new ATOM 0 HA2 GLY A 392 -9.604 -3.485 -4.540 1.00 0.00 H new ATOM 0 HA3 GLY A 392 -10.930 -3.099 -5.619 1.00 0.00 H new ATOM 400 N GLU A 393 -9.487 -0.789 -3.736 1.00 0.00 N ATOM 401 CA GLU A 393 -8.953 0.568 -3.753 1.00 0.00 C ATOM 402 C GLU A 393 -7.479 0.568 -4.148 1.00 0.00 C ATOM 403 O GLU A 393 -6.764 -0.406 -3.914 1.00 0.00 O ATOM 404 CB GLU A 393 -9.125 1.224 -2.381 1.00 0.00 C ATOM 405 CG GLU A 393 -10.515 1.793 -2.149 1.00 0.00 C ATOM 406 CD GLU A 393 -10.644 2.488 -0.807 1.00 0.00 C ATOM 407 OE1 GLU A 393 -10.985 1.807 0.183 1.00 0.00 O ATOM 408 OE2 GLU A 393 -10.404 3.712 -0.746 1.00 0.00 O ATOM 0 H GLU A 393 -9.512 -1.221 -2.813 1.00 0.00 H new ATOM 0 HA GLU A 393 -9.510 1.141 -4.494 1.00 0.00 H new ATOM 0 HB2 GLU A 393 -8.909 0.489 -1.606 1.00 0.00 H new ATOM 0 HB3 GLU A 393 -8.392 2.024 -2.275 1.00 0.00 H new ATOM 0 HG2 GLU A 393 -10.752 2.500 -2.944 1.00 0.00 H new ATOM 0 HG3 GLU A 393 -11.248 0.988 -2.209 1.00 0.00 H new ATOM 415 N GLU A 394 -7.033 1.667 -4.748 1.00 0.00 N ATOM 416 CA GLU A 394 -5.645 1.793 -5.177 1.00 0.00 C ATOM 417 C GLU A 394 -4.711 1.886 -3.974 1.00 0.00 C ATOM 418 O GLU A 394 -4.504 2.964 -3.416 1.00 0.00 O ATOM 419 CB GLU A 394 -5.473 3.025 -6.067 1.00 0.00 C ATOM 420 CG GLU A 394 -5.794 2.769 -7.530 1.00 0.00 C ATOM 421 CD GLU A 394 -5.606 4.002 -8.393 1.00 0.00 C ATOM 422 OE1 GLU A 394 -4.454 4.462 -8.528 1.00 0.00 O ATOM 423 OE2 GLU A 394 -6.613 4.506 -8.933 1.00 0.00 O ATOM 0 H GLU A 394 -7.612 2.482 -4.948 1.00 0.00 H new ATOM 0 HA GLU A 394 -5.385 0.902 -5.749 1.00 0.00 H new ATOM 0 HB2 GLU A 394 -6.117 3.823 -5.697 1.00 0.00 H new ATOM 0 HB3 GLU A 394 -4.446 3.381 -5.986 1.00 0.00 H new ATOM 0 HG2 GLU A 394 -5.156 1.968 -7.903 1.00 0.00 H new ATOM 0 HG3 GLU A 394 -6.824 2.423 -7.617 1.00 0.00 H new ATOM 430 N VAL A 395 -4.149 0.748 -3.579 1.00 0.00 N ATOM 431 CA VAL A 395 -3.237 0.700 -2.443 1.00 0.00 C ATOM 432 C VAL A 395 -1.789 0.583 -2.906 1.00 0.00 C ATOM 433 O VAL A 395 -1.440 -0.314 -3.674 1.00 0.00 O ATOM 434 CB VAL A 395 -3.562 -0.482 -1.510 1.00 0.00 C ATOM 435 CG1 VAL A 395 -2.667 -0.455 -0.281 1.00 0.00 C ATOM 436 CG2 VAL A 395 -5.030 -0.457 -1.112 1.00 0.00 C ATOM 0 H VAL A 395 -4.310 -0.153 -4.029 1.00 0.00 H new ATOM 0 HA VAL A 395 -3.367 1.633 -1.894 1.00 0.00 H new ATOM 0 HB VAL A 395 -3.370 -1.410 -2.048 1.00 0.00 H new ATOM 0 HG11 VAL A 395 -2.912 -1.298 0.366 1.00 0.00 H new ATOM 0 HG12 VAL A 395 -1.624 -0.525 -0.589 1.00 0.00 H new ATOM 0 HG13 VAL A 395 -2.823 0.477 0.262 1.00 0.00 H new ATOM 0 HG21 VAL A 395 -5.243 -1.299 -0.453 1.00 0.00 H new ATOM 0 HG22 VAL A 395 -5.250 0.475 -0.592 1.00 0.00 H new ATOM 0 HG23 VAL A 395 -5.650 -0.530 -2.005 1.00 0.00 H new ATOM 446 N THR A 396 -0.946 1.497 -2.433 1.00 0.00 N ATOM 447 CA THR A 396 0.464 1.498 -2.799 1.00 0.00 C ATOM 448 C THR A 396 1.326 0.950 -1.667 1.00 0.00 C ATOM 449 O THR A 396 1.401 1.540 -0.589 1.00 0.00 O ATOM 450 CB THR A 396 0.950 2.914 -3.159 1.00 0.00 C ATOM 451 OG1 THR A 396 0.062 3.510 -4.111 1.00 0.00 O ATOM 452 CG2 THR A 396 2.360 2.874 -3.730 1.00 0.00 C ATOM 0 H THR A 396 -1.217 2.246 -1.795 1.00 0.00 H new ATOM 0 HA THR A 396 0.564 0.854 -3.673 1.00 0.00 H new ATOM 0 HB THR A 396 0.960 3.512 -2.248 1.00 0.00 H new ATOM 0 HG1 THR A 396 0.377 4.411 -4.333 1.00 0.00 H new ATOM 0 HG21 THR A 396 2.681 3.886 -3.977 1.00 0.00 H new ATOM 0 HG22 THR A 396 3.039 2.447 -2.992 1.00 0.00 H new ATOM 0 HG23 THR A 396 2.371 2.260 -4.631 1.00 0.00 H new ATOM 460 N HIS A 397 1.975 -0.182 -1.919 1.00 0.00 N ATOM 461 CA HIS A 397 2.834 -0.810 -0.920 1.00 0.00 C ATOM 462 C HIS A 397 4.301 -0.485 -1.184 1.00 0.00 C ATOM 463 O HIS A 397 4.789 -0.635 -2.305 1.00 0.00 O ATOM 464 CB HIS A 397 2.627 -2.325 -0.918 1.00 0.00 C ATOM 465 CG HIS A 397 1.422 -2.764 -0.145 1.00 0.00 C ATOM 466 ND1 HIS A 397 0.162 -2.848 -0.698 1.00 0.00 N ATOM 467 CD2 HIS A 397 1.290 -3.145 1.147 1.00 0.00 C ATOM 468 CE1 HIS A 397 -0.693 -3.261 0.220 1.00 0.00 C ATOM 469 NE2 HIS A 397 -0.034 -3.449 1.349 1.00 0.00 N ATOM 0 H HIS A 397 1.923 -0.683 -2.806 1.00 0.00 H new ATOM 0 HA HIS A 397 2.562 -0.413 0.058 1.00 0.00 H new ATOM 0 HB2 HIS A 397 2.535 -2.672 -1.947 1.00 0.00 H new ATOM 0 HB3 HIS A 397 3.512 -2.804 -0.498 1.00 0.00 H new ATOM 0 HD2 HIS A 397 2.079 -3.200 1.882 1.00 0.00 H new ATOM 0 HE1 HIS A 397 -1.751 -3.418 0.073 1.00 0.00 H new ATOM 0 HE2 HIS A 397 -0.442 -3.768 2.228 1.00 0.00 H new ATOM 477 N TYR A 398 4.999 -0.039 -0.145 1.00 0.00 N ATOM 478 CA TYR A 398 6.410 0.309 -0.266 1.00 0.00 C ATOM 479 C TYR A 398 7.266 -0.559 0.651 1.00 0.00 C ATOM 480 O TYR A 398 7.137 -0.506 1.875 1.00 0.00 O ATOM 481 CB TYR A 398 6.622 1.787 0.069 1.00 0.00 C ATOM 482 CG TYR A 398 6.280 2.721 -1.070 1.00 0.00 C ATOM 483 CD1 TYR A 398 7.162 2.912 -2.126 1.00 0.00 C ATOM 484 CD2 TYR A 398 5.075 3.412 -1.090 1.00 0.00 C ATOM 485 CE1 TYR A 398 6.854 3.765 -3.169 1.00 0.00 C ATOM 486 CE2 TYR A 398 4.758 4.265 -2.129 1.00 0.00 C ATOM 487 CZ TYR A 398 5.651 4.439 -3.166 1.00 0.00 C ATOM 488 OH TYR A 398 5.340 5.288 -4.203 1.00 0.00 O ATOM 0 H TYR A 398 4.611 0.090 0.789 1.00 0.00 H new ATOM 0 HA TYR A 398 6.716 0.128 -1.297 1.00 0.00 H new ATOM 0 HB2 TYR A 398 6.013 2.046 0.935 1.00 0.00 H new ATOM 0 HB3 TYR A 398 7.663 1.941 0.354 1.00 0.00 H new ATOM 0 HD1 TYR A 398 8.105 2.385 -2.132 1.00 0.00 H new ATOM 0 HD2 TYR A 398 4.374 3.280 -0.279 1.00 0.00 H new ATOM 0 HE1 TYR A 398 7.552 3.903 -3.982 1.00 0.00 H new ATOM 0 HE2 TYR A 398 3.816 4.793 -2.130 1.00 0.00 H new ATOM 0 HH TYR A 398 4.456 5.683 -4.049 1.00 0.00 H new ATOM 498 N LEU A 399 8.141 -1.358 0.050 1.00 0.00 N ATOM 499 CA LEU A 399 9.020 -2.239 0.811 1.00 0.00 C ATOM 500 C LEU A 399 10.069 -1.435 1.573 1.00 0.00 C ATOM 501 O LEU A 399 11.143 -1.141 1.047 1.00 0.00 O ATOM 502 CB LEU A 399 9.705 -3.238 -0.123 1.00 0.00 C ATOM 503 CG LEU A 399 10.485 -4.365 0.556 1.00 0.00 C ATOM 504 CD1 LEU A 399 9.611 -5.082 1.573 1.00 0.00 C ATOM 505 CD2 LEU A 399 11.014 -5.347 -0.480 1.00 0.00 C ATOM 0 H LEU A 399 8.261 -1.414 -0.961 1.00 0.00 H new ATOM 0 HA LEU A 399 8.412 -2.784 1.533 1.00 0.00 H new ATOM 0 HB2 LEU A 399 8.946 -3.684 -0.765 1.00 0.00 H new ATOM 0 HB3 LEU A 399 10.388 -2.689 -0.771 1.00 0.00 H new ATOM 0 HG LEU A 399 11.334 -3.928 1.081 1.00 0.00 H new ATOM 0 HD11 LEU A 399 10.183 -5.880 2.046 1.00 0.00 H new ATOM 0 HD12 LEU A 399 9.281 -4.374 2.333 1.00 0.00 H new ATOM 0 HD13 LEU A 399 8.742 -5.507 1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 399 11.566 -6.142 0.021 1.00 0.00 H new ATOM 0 HD22 LEU A 399 10.179 -5.778 -1.033 1.00 0.00 H new ATOM 0 HD23 LEU A 399 11.676 -4.825 -1.171 1.00 0.00 H new ATOM 517 N VAL A 400 9.752 -1.086 2.815 1.00 0.00 N ATOM 518 CA VAL A 400 10.669 -0.319 3.651 1.00 0.00 C ATOM 519 C VAL A 400 11.771 -1.208 4.216 1.00 0.00 C ATOM 520 O VAL A 400 11.518 -2.071 5.057 1.00 0.00 O ATOM 521 CB VAL A 400 9.928 0.365 4.816 1.00 0.00 C ATOM 522 CG1 VAL A 400 10.837 1.364 5.514 1.00 0.00 C ATOM 523 CG2 VAL A 400 8.661 1.042 4.316 1.00 0.00 C ATOM 0 H VAL A 400 8.868 -1.322 3.265 1.00 0.00 H new ATOM 0 HA VAL A 400 11.114 0.446 3.014 1.00 0.00 H new ATOM 0 HB VAL A 400 9.643 -0.398 5.541 1.00 0.00 H new ATOM 0 HG11 VAL A 400 10.296 1.837 6.334 1.00 0.00 H new ATOM 0 HG12 VAL A 400 11.712 0.847 5.907 1.00 0.00 H new ATOM 0 HG13 VAL A 400 11.155 2.126 4.802 1.00 0.00 H new ATOM 0 HG21 VAL A 400 8.150 1.520 5.152 1.00 0.00 H new ATOM 0 HG22 VAL A 400 8.920 1.794 3.571 1.00 0.00 H new ATOM 0 HG23 VAL A 400 8.004 0.298 3.867 1.00 0.00 H new ATOM 533 N LYS A 401 12.996 -0.991 3.750 1.00 0.00 N ATOM 534 CA LYS A 401 14.139 -1.770 4.209 1.00 0.00 C ATOM 535 C LYS A 401 14.816 -1.094 5.397 1.00 0.00 C ATOM 536 O LYS A 401 15.571 -0.136 5.231 1.00 0.00 O ATOM 537 CB LYS A 401 15.147 -1.955 3.072 1.00 0.00 C ATOM 538 CG LYS A 401 16.482 -2.517 3.528 1.00 0.00 C ATOM 539 CD LYS A 401 16.482 -4.036 3.514 1.00 0.00 C ATOM 540 CE LYS A 401 16.056 -4.605 4.859 1.00 0.00 C ATOM 541 NZ LYS A 401 14.587 -4.843 4.920 1.00 0.00 N ATOM 0 H LYS A 401 13.223 -0.281 3.054 1.00 0.00 H new ATOM 0 HA LYS A 401 13.776 -2.747 4.527 1.00 0.00 H new ATOM 0 HB2 LYS A 401 14.719 -2.621 2.323 1.00 0.00 H new ATOM 0 HB3 LYS A 401 15.314 -0.994 2.586 1.00 0.00 H new ATOM 0 HG2 LYS A 401 17.275 -2.146 2.878 1.00 0.00 H new ATOM 0 HG3 LYS A 401 16.703 -2.162 4.535 1.00 0.00 H new ATOM 0 HD2 LYS A 401 15.808 -4.394 2.736 1.00 0.00 H new ATOM 0 HD3 LYS A 401 17.479 -4.399 3.263 1.00 0.00 H new ATOM 0 HE2 LYS A 401 16.584 -5.541 5.041 1.00 0.00 H new ATOM 0 HE3 LYS A 401 16.346 -3.917 5.653 1.00 0.00 H new ATOM 0 HZ1 LYS A 401 14.163 -4.215 5.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 401 14.165 -4.647 3.990 1.00 0.00 H new ATOM 0 HZ3 LYS A 401 14.406 -5.834 5.180 1.00 0.00 H new ATOM 555 N TRP A 402 14.543 -1.600 6.594 1.00 0.00 N ATOM 556 CA TRP A 402 15.128 -1.046 7.810 1.00 0.00 C ATOM 557 C TRP A 402 16.072 -2.047 8.466 1.00 0.00 C ATOM 558 O TRP A 402 15.968 -3.253 8.238 1.00 0.00 O ATOM 559 CB TRP A 402 14.027 -0.644 8.793 1.00 0.00 C ATOM 560 CG TRP A 402 12.865 -1.591 8.803 1.00 0.00 C ATOM 561 CD1 TRP A 402 12.907 -2.941 8.597 1.00 0.00 C ATOM 562 CD2 TRP A 402 11.491 -1.260 9.029 1.00 0.00 C ATOM 563 NE1 TRP A 402 11.641 -3.468 8.681 1.00 0.00 N ATOM 564 CE2 TRP A 402 10.754 -2.458 8.946 1.00 0.00 C ATOM 565 CE3 TRP A 402 10.811 -0.068 9.295 1.00 0.00 C ATOM 566 CZ2 TRP A 402 9.374 -2.495 9.119 1.00 0.00 C ATOM 567 CZ3 TRP A 402 9.441 -0.107 9.466 1.00 0.00 C ATOM 568 CH2 TRP A 402 8.734 -1.314 9.379 1.00 0.00 C ATOM 0 H TRP A 402 13.920 -2.393 6.749 1.00 0.00 H new ATOM 0 HA TRP A 402 15.702 -0.161 7.536 1.00 0.00 H new ATOM 0 HB2 TRP A 402 14.449 -0.587 9.796 1.00 0.00 H new ATOM 0 HB3 TRP A 402 13.671 0.355 8.540 1.00 0.00 H new ATOM 0 HD1 TRP A 402 13.803 -3.510 8.398 1.00 0.00 H new ATOM 0 HE1 TRP A 402 11.400 -4.452 8.565 1.00 0.00 H new ATOM 0 HE3 TRP A 402 11.347 0.867 9.366 1.00 0.00 H new ATOM 0 HZ2 TRP A 402 8.827 -3.424 9.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 402 8.905 0.808 9.670 1.00 0.00 H new ATOM 0 HH2 TRP A 402 7.663 -1.312 9.520 1.00 0.00 H new ATOM 579 N CYS A 403 16.991 -1.541 9.281 1.00 0.00 N ATOM 580 CA CYS A 403 17.954 -2.393 9.970 1.00 0.00 C ATOM 581 C CYS A 403 17.409 -2.849 11.319 1.00 0.00 C ATOM 582 O CYS A 403 17.351 -4.045 11.604 1.00 0.00 O ATOM 583 CB CYS A 403 19.276 -1.649 10.165 1.00 0.00 C ATOM 584 SG CYS A 403 20.712 -2.732 10.354 1.00 0.00 S ATOM 0 H CYS A 403 17.090 -0.546 9.481 1.00 0.00 H new ATOM 0 HA CYS A 403 18.129 -3.274 9.353 1.00 0.00 H new ATOM 0 HB2 CYS A 403 19.440 -0.992 9.311 1.00 0.00 H new ATOM 0 HB3 CYS A 403 19.196 -1.013 11.046 1.00 0.00 H new ATOM 0 HG CYS A 403 21.782 -2.011 10.511 1.00 0.00 H new ATOM 590 N SER A 404 17.011 -1.888 12.146 1.00 0.00 N ATOM 591 CA SER A 404 16.475 -2.190 13.468 1.00 0.00 C ATOM 592 C SER A 404 15.663 -3.482 13.443 1.00 0.00 C ATOM 593 O SER A 404 15.612 -4.217 14.430 1.00 0.00 O ATOM 594 CB SER A 404 15.603 -1.036 13.965 1.00 0.00 C ATOM 595 OG SER A 404 14.525 -0.793 13.078 1.00 0.00 O ATOM 0 H SER A 404 17.050 -0.893 11.924 1.00 0.00 H new ATOM 0 HA SER A 404 17.314 -2.321 14.151 1.00 0.00 H new ATOM 0 HB2 SER A 404 15.216 -1.269 14.957 1.00 0.00 H new ATOM 0 HB3 SER A 404 16.208 -0.135 14.063 1.00 0.00 H new ATOM 0 HG SER A 404 13.982 -0.052 13.419 1.00 0.00 H new ATOM 601 N LEU A 405 15.029 -3.752 12.307 1.00 0.00 N ATOM 602 CA LEU A 405 14.218 -4.954 12.151 1.00 0.00 C ATOM 603 C LEU A 405 14.920 -5.972 11.258 1.00 0.00 C ATOM 604 O LEU A 405 15.738 -5.627 10.405 1.00 0.00 O ATOM 605 CB LEU A 405 12.851 -4.599 11.562 1.00 0.00 C ATOM 606 CG LEU A 405 11.883 -3.879 12.502 1.00 0.00 C ATOM 607 CD1 LEU A 405 10.786 -3.186 11.708 1.00 0.00 C ATOM 608 CD2 LEU A 405 11.283 -4.858 13.501 1.00 0.00 C ATOM 0 H LEU A 405 15.061 -3.155 11.481 1.00 0.00 H new ATOM 0 HA LEU A 405 14.078 -5.398 13.137 1.00 0.00 H new ATOM 0 HB2 LEU A 405 13.007 -3.972 10.684 1.00 0.00 H new ATOM 0 HB3 LEU A 405 12.376 -5.518 11.218 1.00 0.00 H new ATOM 0 HG LEU A 405 12.438 -3.121 13.055 1.00 0.00 H new ATOM 0 HD11 LEU A 405 10.106 -2.679 12.393 1.00 0.00 H new ATOM 0 HD12 LEU A 405 11.232 -2.456 11.032 1.00 0.00 H new ATOM 0 HD13 LEU A 405 10.233 -3.926 11.129 1.00 0.00 H new ATOM 0 HD21 LEU A 405 10.597 -4.329 14.162 1.00 0.00 H new ATOM 0 HD22 LEU A 405 10.742 -5.638 12.966 1.00 0.00 H new ATOM 0 HD23 LEU A 405 12.080 -5.309 14.092 1.00 0.00 H new ATOM 620 N PRO A 406 14.593 -7.258 11.455 1.00 0.00 N ATOM 621 CA PRO A 406 15.178 -8.352 10.675 1.00 0.00 C ATOM 622 C PRO A 406 14.702 -8.351 9.226 1.00 0.00 C ATOM 623 O PRO A 406 13.503 -8.274 8.957 1.00 0.00 O ATOM 624 CB PRO A 406 14.685 -9.607 11.399 1.00 0.00 C ATOM 625 CG PRO A 406 13.428 -9.185 12.077 1.00 0.00 C ATOM 626 CD PRO A 406 13.626 -7.742 12.454 1.00 0.00 C ATOM 0 HA PRO A 406 16.264 -8.275 10.617 1.00 0.00 H new ATOM 0 HB2 PRO A 406 14.502 -10.422 10.699 1.00 0.00 H new ATOM 0 HB3 PRO A 406 15.422 -9.964 12.118 1.00 0.00 H new ATOM 0 HG2 PRO A 406 12.570 -9.301 11.415 1.00 0.00 H new ATOM 0 HG3 PRO A 406 13.236 -9.796 12.959 1.00 0.00 H new ATOM 0 HD2 PRO A 406 12.691 -7.184 12.411 1.00 0.00 H new ATOM 0 HD3 PRO A 406 14.012 -7.641 13.468 1.00 0.00 H new ATOM 634 N TYR A 407 15.648 -8.438 8.298 1.00 0.00 N ATOM 635 CA TYR A 407 15.324 -8.445 6.876 1.00 0.00 C ATOM 636 C TYR A 407 14.146 -9.371 6.590 1.00 0.00 C ATOM 637 O TYR A 407 13.127 -8.946 6.045 1.00 0.00 O ATOM 638 CB TYR A 407 16.540 -8.881 6.057 1.00 0.00 C ATOM 639 CG TYR A 407 16.237 -9.099 4.592 1.00 0.00 C ATOM 640 CD1 TYR A 407 15.746 -8.065 3.803 1.00 0.00 C ATOM 641 CD2 TYR A 407 16.441 -10.337 3.996 1.00 0.00 C ATOM 642 CE1 TYR A 407 15.467 -8.259 2.464 1.00 0.00 C ATOM 643 CE2 TYR A 407 16.166 -10.540 2.658 1.00 0.00 C ATOM 644 CZ TYR A 407 15.679 -9.498 1.896 1.00 0.00 C ATOM 645 OH TYR A 407 15.403 -9.696 0.562 1.00 0.00 O ATOM 0 H TYR A 407 16.645 -8.505 8.504 1.00 0.00 H new ATOM 0 HA TYR A 407 15.044 -7.432 6.588 1.00 0.00 H new ATOM 0 HB2 TYR A 407 17.320 -8.125 6.149 1.00 0.00 H new ATOM 0 HB3 TYR A 407 16.939 -9.804 6.478 1.00 0.00 H new ATOM 0 HD1 TYR A 407 15.580 -7.093 4.244 1.00 0.00 H new ATOM 0 HD2 TYR A 407 16.821 -11.155 4.589 1.00 0.00 H new ATOM 0 HE1 TYR A 407 15.085 -7.445 1.865 1.00 0.00 H new ATOM 0 HE2 TYR A 407 16.331 -11.509 2.211 1.00 0.00 H new ATOM 0 HH TYR A 407 15.608 -10.623 0.320 1.00 0.00 H new ATOM 655 N GLU A 408 14.294 -10.638 6.962 1.00 0.00 N ATOM 656 CA GLU A 408 13.242 -11.625 6.746 1.00 0.00 C ATOM 657 C GLU A 408 11.865 -11.014 6.986 1.00 0.00 C ATOM 658 O GLU A 408 10.873 -11.443 6.397 1.00 0.00 O ATOM 659 CB GLU A 408 13.445 -12.830 7.667 1.00 0.00 C ATOM 660 CG GLU A 408 14.607 -13.719 7.259 1.00 0.00 C ATOM 661 CD GLU A 408 15.918 -13.294 7.892 1.00 0.00 C ATOM 662 OE1 GLU A 408 16.614 -12.442 7.301 1.00 0.00 O ATOM 663 OE2 GLU A 408 16.247 -13.812 8.980 1.00 0.00 O ATOM 0 H GLU A 408 15.131 -11.005 7.414 1.00 0.00 H new ATOM 0 HA GLU A 408 13.298 -11.956 5.709 1.00 0.00 H new ATOM 0 HB2 GLU A 408 13.610 -12.475 8.684 1.00 0.00 H new ATOM 0 HB3 GLU A 408 12.531 -13.424 7.681 1.00 0.00 H new ATOM 0 HG2 GLU A 408 14.388 -14.749 7.542 1.00 0.00 H new ATOM 0 HG3 GLU A 408 14.709 -13.701 6.174 1.00 0.00 H new ATOM 670 N GLU A 409 11.813 -10.009 7.854 1.00 0.00 N ATOM 671 CA GLU A 409 10.557 -9.339 8.173 1.00 0.00 C ATOM 672 C GLU A 409 10.328 -8.146 7.251 1.00 0.00 C ATOM 673 O GLU A 409 9.758 -7.133 7.658 1.00 0.00 O ATOM 674 CB GLU A 409 10.555 -8.878 9.632 1.00 0.00 C ATOM 675 CG GLU A 409 9.167 -8.592 10.178 1.00 0.00 C ATOM 676 CD GLU A 409 8.398 -9.857 10.509 1.00 0.00 C ATOM 677 OE1 GLU A 409 8.642 -10.435 11.588 1.00 0.00 O ATOM 678 OE2 GLU A 409 7.552 -10.268 9.687 1.00 0.00 O ATOM 0 H GLU A 409 12.625 -9.641 8.349 1.00 0.00 H new ATOM 0 HA GLU A 409 9.746 -10.052 8.024 1.00 0.00 H new ATOM 0 HB2 GLU A 409 11.027 -9.644 10.247 1.00 0.00 H new ATOM 0 HB3 GLU A 409 11.164 -7.978 9.721 1.00 0.00 H new ATOM 0 HG2 GLU A 409 9.253 -7.978 11.075 1.00 0.00 H new ATOM 0 HG3 GLU A 409 8.606 -8.011 9.446 1.00 0.00 H new ATOM 685 N SER A 410 10.776 -8.272 6.006 1.00 0.00 N ATOM 686 CA SER A 410 10.624 -7.203 5.026 1.00 0.00 C ATOM 687 C SER A 410 9.157 -6.816 4.868 1.00 0.00 C ATOM 688 O SER A 410 8.398 -7.481 4.162 1.00 0.00 O ATOM 689 CB SER A 410 11.197 -7.636 3.675 1.00 0.00 C ATOM 690 OG SER A 410 12.598 -7.835 3.755 1.00 0.00 O ATOM 0 H SER A 410 11.247 -9.104 5.652 1.00 0.00 H new ATOM 0 HA SER A 410 11.175 -6.333 5.385 1.00 0.00 H new ATOM 0 HB2 SER A 410 10.714 -8.557 3.350 1.00 0.00 H new ATOM 0 HB3 SER A 410 10.977 -6.878 2.923 1.00 0.00 H new ATOM 0 HG SER A 410 12.853 -7.992 4.688 1.00 0.00 H new ATOM 696 N THR A 411 8.763 -5.733 5.531 1.00 0.00 N ATOM 697 CA THR A 411 7.387 -5.256 5.467 1.00 0.00 C ATOM 698 C THR A 411 7.228 -4.177 4.401 1.00 0.00 C ATOM 699 O THR A 411 8.195 -3.511 4.031 1.00 0.00 O ATOM 700 CB THR A 411 6.923 -4.693 6.823 1.00 0.00 C ATOM 701 OG1 THR A 411 7.326 -3.325 6.949 1.00 0.00 O ATOM 702 CG2 THR A 411 7.502 -5.505 7.972 1.00 0.00 C ATOM 0 H THR A 411 9.378 -5.170 6.119 1.00 0.00 H new ATOM 0 HA THR A 411 6.767 -6.114 5.207 1.00 0.00 H new ATOM 0 HB THR A 411 5.836 -4.756 6.865 1.00 0.00 H new ATOM 0 HG1 THR A 411 8.008 -3.248 7.648 1.00 0.00 H new ATOM 0 HG21 THR A 411 7.161 -5.089 8.920 1.00 0.00 H new ATOM 0 HG22 THR A 411 7.170 -6.540 7.890 1.00 0.00 H new ATOM 0 HG23 THR A 411 8.591 -5.469 7.931 1.00 0.00 H new ATOM 710 N TRP A 412 6.005 -4.011 3.912 1.00 0.00 N ATOM 711 CA TRP A 412 5.720 -3.011 2.889 1.00 0.00 C ATOM 712 C TRP A 412 4.741 -1.965 3.408 1.00 0.00 C ATOM 713 O TRP A 412 3.532 -2.083 3.212 1.00 0.00 O ATOM 714 CB TRP A 412 5.154 -3.682 1.636 1.00 0.00 C ATOM 715 CG TRP A 412 6.027 -4.777 1.102 1.00 0.00 C ATOM 716 CD1 TRP A 412 6.391 -5.923 1.748 1.00 0.00 C ATOM 717 CD2 TRP A 412 6.645 -4.827 -0.188 1.00 0.00 C ATOM 718 NE1 TRP A 412 7.200 -6.683 0.938 1.00 0.00 N ATOM 719 CE2 TRP A 412 7.370 -6.033 -0.256 1.00 0.00 C ATOM 720 CE3 TRP A 412 6.656 -3.972 -1.294 1.00 0.00 C ATOM 721 CZ2 TRP A 412 8.097 -6.402 -1.385 1.00 0.00 C ATOM 722 CZ3 TRP A 412 7.379 -4.339 -2.413 1.00 0.00 C ATOM 723 CH2 TRP A 412 8.090 -5.545 -2.452 1.00 0.00 C ATOM 0 H TRP A 412 5.195 -4.556 4.207 1.00 0.00 H new ATOM 0 HA TRP A 412 6.654 -2.511 2.634 1.00 0.00 H new ATOM 0 HB2 TRP A 412 4.170 -4.091 1.865 1.00 0.00 H new ATOM 0 HB3 TRP A 412 5.014 -2.928 0.861 1.00 0.00 H new ATOM 0 HD1 TRP A 412 6.088 -6.193 2.749 1.00 0.00 H new ATOM 0 HE1 TRP A 412 7.608 -7.585 1.185 1.00 0.00 H new ATOM 0 HE3 TRP A 412 6.109 -3.041 -1.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 412 8.647 -7.331 -1.417 1.00 0.00 H new ATOM 0 HZ3 TRP A 412 7.396 -3.685 -3.272 1.00 0.00 H new ATOM 0 HH2 TRP A 412 8.644 -5.804 -3.342 1.00 0.00 H new ATOM 734 N GLU A 413 5.271 -0.940 4.069 1.00 0.00 N ATOM 735 CA GLU A 413 4.441 0.127 4.616 1.00 0.00 C ATOM 736 C GLU A 413 3.832 0.969 3.499 1.00 0.00 C ATOM 737 O GLU A 413 4.527 1.387 2.571 1.00 0.00 O ATOM 738 CB GLU A 413 5.265 1.016 5.549 1.00 0.00 C ATOM 739 CG GLU A 413 5.958 0.252 6.664 1.00 0.00 C ATOM 740 CD GLU A 413 6.358 1.145 7.823 1.00 0.00 C ATOM 741 OE1 GLU A 413 7.214 2.031 7.622 1.00 0.00 O ATOM 742 OE2 GLU A 413 5.813 0.957 8.931 1.00 0.00 O ATOM 0 H GLU A 413 6.270 -0.826 4.238 1.00 0.00 H new ATOM 0 HA GLU A 413 3.632 -0.331 5.184 1.00 0.00 H new ATOM 0 HB2 GLU A 413 6.015 1.546 4.963 1.00 0.00 H new ATOM 0 HB3 GLU A 413 4.612 1.770 5.988 1.00 0.00 H new ATOM 0 HG2 GLU A 413 5.295 -0.533 7.027 1.00 0.00 H new ATOM 0 HG3 GLU A 413 6.846 -0.239 6.265 1.00 0.00 H new ATOM 749 N LEU A 414 2.530 1.214 3.594 1.00 0.00 N ATOM 750 CA LEU A 414 1.825 2.006 2.591 1.00 0.00 C ATOM 751 C LEU A 414 2.461 3.384 2.440 1.00 0.00 C ATOM 752 O LEU A 414 3.135 3.870 3.349 1.00 0.00 O ATOM 753 CB LEU A 414 0.351 2.151 2.972 1.00 0.00 C ATOM 754 CG LEU A 414 -0.376 0.859 3.347 1.00 0.00 C ATOM 755 CD1 LEU A 414 -1.683 1.170 4.061 1.00 0.00 C ATOM 756 CD2 LEU A 414 -0.631 0.012 2.109 1.00 0.00 C ATOM 0 H LEU A 414 1.941 0.876 4.355 1.00 0.00 H new ATOM 0 HA LEU A 414 1.898 1.486 1.636 1.00 0.00 H new ATOM 0 HB2 LEU A 414 0.280 2.841 3.813 1.00 0.00 H new ATOM 0 HB3 LEU A 414 -0.176 2.611 2.136 1.00 0.00 H new ATOM 0 HG LEU A 414 0.259 0.291 4.027 1.00 0.00 H new ATOM 0 HD11 LEU A 414 -2.187 0.239 4.320 1.00 0.00 H new ATOM 0 HD12 LEU A 414 -1.476 1.735 4.970 1.00 0.00 H new ATOM 0 HD13 LEU A 414 -2.324 1.759 3.406 1.00 0.00 H new ATOM 0 HD21 LEU A 414 -1.149 -0.903 2.395 1.00 0.00 H new ATOM 0 HD22 LEU A 414 -1.246 0.572 1.405 1.00 0.00 H new ATOM 0 HD23 LEU A 414 0.319 -0.241 1.639 1.00 0.00 H new ATOM 768 N GLU A 415 2.241 4.009 1.288 1.00 0.00 N ATOM 769 CA GLU A 415 2.793 5.332 1.019 1.00 0.00 C ATOM 770 C GLU A 415 2.582 6.261 2.211 1.00 0.00 C ATOM 771 O GLU A 415 3.427 7.103 2.512 1.00 0.00 O ATOM 772 CB GLU A 415 2.148 5.934 -0.231 1.00 0.00 C ATOM 773 CG GLU A 415 2.834 7.197 -0.722 1.00 0.00 C ATOM 774 CD GLU A 415 2.521 7.504 -2.174 1.00 0.00 C ATOM 775 OE1 GLU A 415 2.480 6.556 -2.986 1.00 0.00 O ATOM 776 OE2 GLU A 415 2.318 8.693 -2.497 1.00 0.00 O ATOM 0 H GLU A 415 1.685 3.621 0.526 1.00 0.00 H new ATOM 0 HA GLU A 415 3.864 5.223 0.849 1.00 0.00 H new ATOM 0 HB2 GLU A 415 2.159 5.191 -1.029 1.00 0.00 H new ATOM 0 HB3 GLU A 415 1.103 6.158 -0.018 1.00 0.00 H new ATOM 0 HG2 GLU A 415 2.525 8.038 -0.102 1.00 0.00 H new ATOM 0 HG3 GLU A 415 3.912 7.091 -0.601 1.00 0.00 H new ATOM 783 N GLU A 416 1.447 6.101 2.885 1.00 0.00 N ATOM 784 CA GLU A 416 1.125 6.927 4.043 1.00 0.00 C ATOM 785 C GLU A 416 2.081 6.642 5.198 1.00 0.00 C ATOM 786 O GLU A 416 2.487 7.553 5.920 1.00 0.00 O ATOM 787 CB GLU A 416 -0.318 6.678 4.489 1.00 0.00 C ATOM 788 CG GLU A 416 -1.345 6.941 3.400 1.00 0.00 C ATOM 789 CD GLU A 416 -2.735 7.185 3.956 1.00 0.00 C ATOM 790 OE1 GLU A 416 -3.114 6.496 4.926 1.00 0.00 O ATOM 791 OE2 GLU A 416 -3.443 8.063 3.420 1.00 0.00 O ATOM 0 H GLU A 416 0.736 5.408 2.649 1.00 0.00 H new ATOM 0 HA GLU A 416 1.234 7.972 3.753 1.00 0.00 H new ATOM 0 HB2 GLU A 416 -0.413 5.645 4.824 1.00 0.00 H new ATOM 0 HB3 GLU A 416 -0.539 7.313 5.347 1.00 0.00 H new ATOM 0 HG2 GLU A 416 -1.035 7.806 2.815 1.00 0.00 H new ATOM 0 HG3 GLU A 416 -1.374 6.090 2.720 1.00 0.00 H new ATOM 798 N ASP A 417 2.436 5.373 5.365 1.00 0.00 N ATOM 799 CA ASP A 417 3.345 4.967 6.431 1.00 0.00 C ATOM 800 C ASP A 417 4.793 5.002 5.953 1.00 0.00 C ATOM 801 O ASP A 417 5.596 4.140 6.309 1.00 0.00 O ATOM 802 CB ASP A 417 2.991 3.564 6.925 1.00 0.00 C ATOM 803 CG ASP A 417 1.748 3.551 7.793 1.00 0.00 C ATOM 804 OD1 ASP A 417 1.643 4.415 8.689 1.00 0.00 O ATOM 805 OD2 ASP A 417 0.882 2.678 7.578 1.00 0.00 O ATOM 0 H ASP A 417 2.108 4.607 4.776 1.00 0.00 H new ATOM 0 HA ASP A 417 3.237 5.672 7.256 1.00 0.00 H new ATOM 0 HB2 ASP A 417 2.839 2.908 6.068 1.00 0.00 H new ATOM 0 HB3 ASP A 417 3.830 3.159 7.491 1.00 0.00 H new ATOM 810 N VAL A 418 5.119 6.004 5.143 1.00 0.00 N ATOM 811 CA VAL A 418 6.471 6.152 4.616 1.00 0.00 C ATOM 812 C VAL A 418 6.795 7.615 4.335 1.00 0.00 C ATOM 813 O VAL A 418 5.928 8.384 3.918 1.00 0.00 O ATOM 814 CB VAL A 418 6.660 5.338 3.322 1.00 0.00 C ATOM 815 CG1 VAL A 418 7.889 5.818 2.564 1.00 0.00 C ATOM 816 CG2 VAL A 418 6.764 3.854 3.637 1.00 0.00 C ATOM 0 H VAL A 418 4.466 6.725 4.837 1.00 0.00 H new ATOM 0 HA VAL A 418 7.151 5.773 5.378 1.00 0.00 H new ATOM 0 HB VAL A 418 5.788 5.491 2.686 1.00 0.00 H new ATOM 0 HG11 VAL A 418 8.007 5.231 1.653 1.00 0.00 H new ATOM 0 HG12 VAL A 418 7.769 6.870 2.305 1.00 0.00 H new ATOM 0 HG13 VAL A 418 8.773 5.697 3.190 1.00 0.00 H new ATOM 0 HG21 VAL A 418 6.897 3.294 2.711 1.00 0.00 H new ATOM 0 HG22 VAL A 418 7.617 3.680 4.292 1.00 0.00 H new ATOM 0 HG23 VAL A 418 5.852 3.523 4.133 1.00 0.00 H new ATOM 826 N ASP A 419 8.047 7.993 4.567 1.00 0.00 N ATOM 827 CA ASP A 419 8.487 9.364 4.337 1.00 0.00 C ATOM 828 C ASP A 419 8.504 9.687 2.846 1.00 0.00 C ATOM 829 O ASP A 419 8.824 8.845 2.007 1.00 0.00 O ATOM 830 CB ASP A 419 9.877 9.583 4.935 1.00 0.00 C ATOM 831 CG ASP A 419 9.832 9.837 6.429 1.00 0.00 C ATOM 832 OD1 ASP A 419 9.239 9.011 7.153 1.00 0.00 O ATOM 833 OD2 ASP A 419 10.389 10.863 6.873 1.00 0.00 O ATOM 0 H ASP A 419 8.775 7.369 4.914 1.00 0.00 H new ATOM 0 HA ASP A 419 7.780 10.033 4.827 1.00 0.00 H new ATOM 0 HB2 ASP A 419 10.496 8.708 4.737 1.00 0.00 H new ATOM 0 HB3 ASP A 419 10.353 10.429 4.440 1.00 0.00 H new ATOM 838 N PRO A 420 8.149 10.936 2.507 1.00 0.00 N ATOM 839 CA PRO A 420 8.115 11.398 1.117 1.00 0.00 C ATOM 840 C PRO A 420 9.510 11.526 0.514 1.00 0.00 C ATOM 841 O PRO A 420 9.742 11.124 -0.626 1.00 0.00 O ATOM 842 CB PRO A 420 7.448 12.773 1.217 1.00 0.00 C ATOM 843 CG PRO A 420 7.733 13.232 2.605 1.00 0.00 C ATOM 844 CD PRO A 420 7.755 11.991 3.455 1.00 0.00 C ATOM 0 HA PRO A 420 7.588 10.699 0.468 1.00 0.00 H new ATOM 0 HB2 PRO A 420 7.855 13.465 0.480 1.00 0.00 H new ATOM 0 HB3 PRO A 420 6.375 12.707 1.034 1.00 0.00 H new ATOM 0 HG2 PRO A 420 8.688 13.756 2.655 1.00 0.00 H new ATOM 0 HG3 PRO A 420 6.969 13.928 2.951 1.00 0.00 H new ATOM 0 HD2 PRO A 420 8.466 12.079 4.277 1.00 0.00 H new ATOM 0 HD3 PRO A 420 6.780 11.790 3.898 1.00 0.00 H new ATOM 852 N ALA A 421 10.435 12.086 1.286 1.00 0.00 N ATOM 853 CA ALA A 421 11.807 12.263 0.829 1.00 0.00 C ATOM 854 C ALA A 421 12.404 10.941 0.359 1.00 0.00 C ATOM 855 O ALA A 421 12.937 10.846 -0.747 1.00 0.00 O ATOM 856 CB ALA A 421 12.659 12.865 1.936 1.00 0.00 C ATOM 0 H ALA A 421 10.259 12.425 2.232 1.00 0.00 H new ATOM 0 HA ALA A 421 11.796 12.948 -0.019 1.00 0.00 H new ATOM 0 HB1 ALA A 421 13.681 12.991 1.580 1.00 0.00 H new ATOM 0 HB2 ALA A 421 12.252 13.835 2.222 1.00 0.00 H new ATOM 0 HB3 ALA A 421 12.655 12.201 2.800 1.00 0.00 H new ATOM 862 N LYS A 422 12.313 9.921 1.206 1.00 0.00 N ATOM 863 CA LYS A 422 12.844 8.603 0.878 1.00 0.00 C ATOM 864 C LYS A 422 12.274 8.101 -0.444 1.00 0.00 C ATOM 865 O LYS A 422 13.004 7.588 -1.292 1.00 0.00 O ATOM 866 CB LYS A 422 12.521 7.609 1.996 1.00 0.00 C ATOM 867 CG LYS A 422 13.537 7.612 3.125 1.00 0.00 C ATOM 868 CD LYS A 422 13.162 8.609 4.209 1.00 0.00 C ATOM 869 CE LYS A 422 14.374 9.021 5.030 1.00 0.00 C ATOM 870 NZ LYS A 422 15.240 9.985 4.295 1.00 0.00 N ATOM 0 H LYS A 422 11.876 9.982 2.126 1.00 0.00 H new ATOM 0 HA LYS A 422 13.926 8.688 0.777 1.00 0.00 H new ATOM 0 HB2 LYS A 422 11.537 7.841 2.403 1.00 0.00 H new ATOM 0 HB3 LYS A 422 12.463 6.606 1.573 1.00 0.00 H new ATOM 0 HG2 LYS A 422 13.606 6.613 3.556 1.00 0.00 H new ATOM 0 HG3 LYS A 422 14.522 7.857 2.729 1.00 0.00 H new ATOM 0 HD2 LYS A 422 12.713 9.491 3.754 1.00 0.00 H new ATOM 0 HD3 LYS A 422 12.409 8.170 4.864 1.00 0.00 H new ATOM 0 HE2 LYS A 422 14.043 9.471 5.966 1.00 0.00 H new ATOM 0 HE3 LYS A 422 14.955 8.136 5.290 1.00 0.00 H new ATOM 0 HZ1 LYS A 422 15.968 10.358 4.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 422 15.698 9.501 3.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 422 14.659 10.770 3.937 1.00 0.00 H new ATOM 884 N VAL A 423 10.964 8.253 -0.615 1.00 0.00 N ATOM 885 CA VAL A 423 10.297 7.817 -1.835 1.00 0.00 C ATOM 886 C VAL A 423 10.800 8.596 -3.045 1.00 0.00 C ATOM 887 O VAL A 423 11.295 8.014 -4.011 1.00 0.00 O ATOM 888 CB VAL A 423 8.769 7.984 -1.730 1.00 0.00 C ATOM 889 CG1 VAL A 423 8.110 7.732 -3.078 1.00 0.00 C ATOM 890 CG2 VAL A 423 8.203 7.054 -0.668 1.00 0.00 C ATOM 0 H VAL A 423 10.344 8.675 0.077 1.00 0.00 H new ATOM 0 HA VAL A 423 10.532 6.760 -1.963 1.00 0.00 H new ATOM 0 HB VAL A 423 8.553 9.010 -1.433 1.00 0.00 H new ATOM 0 HG11 VAL A 423 7.031 7.855 -2.984 1.00 0.00 H new ATOM 0 HG12 VAL A 423 8.494 8.443 -3.809 1.00 0.00 H new ATOM 0 HG13 VAL A 423 8.333 6.717 -3.408 1.00 0.00 H new ATOM 0 HG21 VAL A 423 7.123 7.185 -0.608 1.00 0.00 H new ATOM 0 HG22 VAL A 423 8.429 6.021 -0.932 1.00 0.00 H new ATOM 0 HG23 VAL A 423 8.652 7.288 0.297 1.00 0.00 H new ATOM 900 N LYS A 424 10.670 9.917 -2.987 1.00 0.00 N ATOM 901 CA LYS A 424 11.114 10.778 -4.077 1.00 0.00 C ATOM 902 C LYS A 424 12.510 10.386 -4.547 1.00 0.00 C ATOM 903 O LYS A 424 12.724 10.116 -5.729 1.00 0.00 O ATOM 904 CB LYS A 424 11.106 12.243 -3.632 1.00 0.00 C ATOM 905 CG LYS A 424 11.536 13.211 -4.721 1.00 0.00 C ATOM 906 CD LYS A 424 11.283 14.654 -4.316 1.00 0.00 C ATOM 907 CE LYS A 424 12.015 15.625 -5.228 1.00 0.00 C ATOM 908 NZ LYS A 424 11.221 15.948 -6.446 1.00 0.00 N ATOM 0 H LYS A 424 10.261 10.415 -2.196 1.00 0.00 H new ATOM 0 HA LYS A 424 10.422 10.653 -4.910 1.00 0.00 H new ATOM 0 HB2 LYS A 424 10.103 12.507 -3.298 1.00 0.00 H new ATOM 0 HB3 LYS A 424 11.768 12.357 -2.774 1.00 0.00 H new ATOM 0 HG2 LYS A 424 12.596 13.073 -4.934 1.00 0.00 H new ATOM 0 HG3 LYS A 424 10.994 12.990 -5.641 1.00 0.00 H new ATOM 0 HD2 LYS A 424 10.213 14.860 -4.348 1.00 0.00 H new ATOM 0 HD3 LYS A 424 11.606 14.806 -3.286 1.00 0.00 H new ATOM 0 HE2 LYS A 424 12.232 16.543 -4.682 1.00 0.00 H new ATOM 0 HE3 LYS A 424 12.973 15.195 -5.522 1.00 0.00 H new ATOM 0 HZ1 LYS A 424 11.754 16.613 -7.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 424 11.036 15.076 -6.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 424 10.318 16.381 -6.167 1.00 0.00 H new ATOM 922 N GLU A 425 13.457 10.355 -3.615 1.00 0.00 N ATOM 923 CA GLU A 425 14.833 9.995 -3.935 1.00 0.00 C ATOM 924 C GLU A 425 14.886 8.671 -4.693 1.00 0.00 C ATOM 925 O GLU A 425 15.546 8.561 -5.727 1.00 0.00 O ATOM 926 CB GLU A 425 15.669 9.898 -2.658 1.00 0.00 C ATOM 927 CG GLU A 425 16.148 11.244 -2.140 1.00 0.00 C ATOM 928 CD GLU A 425 16.896 12.040 -3.191 1.00 0.00 C ATOM 929 OE1 GLU A 425 17.673 11.432 -3.956 1.00 0.00 O ATOM 930 OE2 GLU A 425 16.704 13.273 -3.248 1.00 0.00 O ATOM 0 H GLU A 425 13.296 10.575 -2.632 1.00 0.00 H new ATOM 0 HA GLU A 425 15.247 10.776 -4.572 1.00 0.00 H new ATOM 0 HB2 GLU A 425 15.078 9.409 -1.883 1.00 0.00 H new ATOM 0 HB3 GLU A 425 16.534 9.262 -2.848 1.00 0.00 H new ATOM 0 HG2 GLU A 425 15.291 11.822 -1.794 1.00 0.00 H new ATOM 0 HG3 GLU A 425 16.797 11.088 -1.278 1.00 0.00 H new ATOM 937 N PHE A 426 14.188 7.669 -4.170 1.00 0.00 N ATOM 938 CA PHE A 426 14.156 6.352 -4.795 1.00 0.00 C ATOM 939 C PHE A 426 13.558 6.429 -6.197 1.00 0.00 C ATOM 940 O PHE A 426 14.232 6.143 -7.186 1.00 0.00 O ATOM 941 CB PHE A 426 13.348 5.376 -3.937 1.00 0.00 C ATOM 942 CG PHE A 426 12.871 4.167 -4.691 1.00 0.00 C ATOM 943 CD1 PHE A 426 13.760 3.171 -5.062 1.00 0.00 C ATOM 944 CD2 PHE A 426 11.535 4.028 -5.030 1.00 0.00 C ATOM 945 CE1 PHE A 426 13.325 2.058 -5.756 1.00 0.00 C ATOM 946 CE2 PHE A 426 11.094 2.916 -5.723 1.00 0.00 C ATOM 947 CZ PHE A 426 11.991 1.930 -6.087 1.00 0.00 C ATOM 0 H PHE A 426 13.637 7.744 -3.315 1.00 0.00 H new ATOM 0 HA PHE A 426 15.181 5.991 -4.876 1.00 0.00 H new ATOM 0 HB2 PHE A 426 13.961 5.051 -3.096 1.00 0.00 H new ATOM 0 HB3 PHE A 426 12.486 5.898 -3.521 1.00 0.00 H new ATOM 0 HD1 PHE A 426 14.805 3.266 -4.806 1.00 0.00 H new ATOM 0 HD2 PHE A 426 10.830 4.797 -4.750 1.00 0.00 H new ATOM 0 HE1 PHE A 426 14.028 1.289 -6.039 1.00 0.00 H new ATOM 0 HE2 PHE A 426 10.050 2.818 -5.980 1.00 0.00 H new ATOM 0 HZ PHE A 426 11.649 1.061 -6.629 1.00 0.00 H new ATOM 957 N GLU A 427 12.289 6.818 -6.272 1.00 0.00 N ATOM 958 CA GLU A 427 11.601 6.932 -7.553 1.00 0.00 C ATOM 959 C GLU A 427 12.516 7.543 -8.610 1.00 0.00 C ATOM 960 O GLU A 427 12.621 7.031 -9.725 1.00 0.00 O ATOM 961 CB GLU A 427 10.337 7.782 -7.404 1.00 0.00 C ATOM 962 CG GLU A 427 9.326 7.204 -6.427 1.00 0.00 C ATOM 963 CD GLU A 427 8.808 5.846 -6.860 1.00 0.00 C ATOM 964 OE1 GLU A 427 8.670 5.624 -8.081 1.00 0.00 O ATOM 965 OE2 GLU A 427 8.541 5.004 -5.977 1.00 0.00 O ATOM 0 H GLU A 427 11.717 7.059 -5.462 1.00 0.00 H new ATOM 0 HA GLU A 427 11.321 5.929 -7.876 1.00 0.00 H new ATOM 0 HB2 GLU A 427 10.619 8.782 -7.073 1.00 0.00 H new ATOM 0 HB3 GLU A 427 9.865 7.890 -8.381 1.00 0.00 H new ATOM 0 HG2 GLU A 427 9.786 7.116 -5.443 1.00 0.00 H new ATOM 0 HG3 GLU A 427 8.488 7.894 -6.327 1.00 0.00 H new ATOM 972 N SER A 428 13.174 8.640 -8.252 1.00 0.00 N ATOM 973 CA SER A 428 14.077 9.324 -9.171 1.00 0.00 C ATOM 974 C SER A 428 15.116 8.358 -9.731 1.00 0.00 C ATOM 975 O SER A 428 15.330 8.291 -10.942 1.00 0.00 O ATOM 976 CB SER A 428 14.775 10.487 -8.462 1.00 0.00 C ATOM 977 OG SER A 428 15.588 11.218 -9.363 1.00 0.00 O ATOM 0 H SER A 428 13.099 9.075 -7.332 1.00 0.00 H new ATOM 0 HA SER A 428 13.486 9.715 -9.999 1.00 0.00 H new ATOM 0 HB2 SER A 428 14.029 11.149 -8.021 1.00 0.00 H new ATOM 0 HB3 SER A 428 15.386 10.105 -7.644 1.00 0.00 H new ATOM 0 HG SER A 428 16.022 11.956 -8.887 1.00 0.00 H new