USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 402 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 25 TYR OH : rot 130:sc= -0.822 USER MOD Set 1.2: A 29 ASN : amide:sc= -2.27! C(o=-3.1!,f=-13!) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 17 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 18 GLN : amide:sc= -4.87! C(o=-4.9!,f=-3.6!) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 MET CE :methyl 153:sc= -0.132 (180deg=-0.744) USER MOD Single : A 23 LYS NZ :NH3+ -151:sc= -1.39 (180deg=-3.13!) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 HIS : no HD1:sc= -1.26 K(o=-1.3,f=-0.34) USER MOD Single : A 31 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.011) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.699 X(o=-0.7,f=-0.2) USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 161:sc= -0.0374 (180deg=-0.326) USER MOD Single : A 44 THR OG1 : rot -34:sc= 1.1 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -0.0205 K(o=-0.021,f=-0.83) USER MOD Single : A 56 GLN : amide:sc= -0.467 X(o=-0.47,f=-0.74) USER MOD Single : A 57 ASN : amide:sc= -0.101 X(o=-0.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 178 N PHE A 14 -12.476 -1.804 -0.460 1.00 0.00 N ATOM 179 CA PHE A 14 -11.900 -2.115 0.843 1.00 0.00 C ATOM 180 C PHE A 14 -12.645 -1.383 1.956 1.00 0.00 C ATOM 181 O PHE A 14 -13.274 -0.350 1.723 1.00 0.00 O ATOM 182 CB PHE A 14 -10.418 -1.737 0.873 1.00 0.00 C ATOM 183 CG PHE A 14 -9.630 -2.312 -0.269 1.00 0.00 C ATOM 184 CD1 PHE A 14 -9.589 -3.681 -0.480 1.00 0.00 C ATOM 185 CD2 PHE A 14 -8.929 -1.484 -1.132 1.00 0.00 C ATOM 186 CE1 PHE A 14 -8.865 -4.213 -1.531 1.00 0.00 C ATOM 187 CE2 PHE A 14 -8.204 -2.011 -2.183 1.00 0.00 C ATOM 188 CZ PHE A 14 -8.171 -3.377 -2.382 1.00 0.00 C ATOM 0 HA PHE A 14 -11.998 -3.188 1.008 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -10.328 -0.651 0.856 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -9.983 -2.078 1.812 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -10.129 -4.340 0.184 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -8.950 -0.415 -0.981 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -8.843 -5.282 -1.686 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.663 -1.355 -2.849 1.00 0.00 H new ATOM 0 HZ PHE A 14 -7.603 -3.791 -3.202 1.00 0.00 H new ATOM 198 N LYS A 15 -12.570 -1.926 3.167 1.00 0.00 N ATOM 199 CA LYS A 15 -13.236 -1.326 4.317 1.00 0.00 C ATOM 200 C LYS A 15 -12.305 -0.360 5.041 1.00 0.00 C ATOM 201 O LYS A 15 -11.124 -0.253 4.709 1.00 0.00 O ATOM 202 CB LYS A 15 -13.709 -2.416 5.283 1.00 0.00 C ATOM 203 CG LYS A 15 -14.578 -3.474 4.626 1.00 0.00 C ATOM 204 CD LYS A 15 -15.968 -2.943 4.319 1.00 0.00 C ATOM 205 CE LYS A 15 -16.949 -4.073 4.044 1.00 0.00 C ATOM 206 NZ LYS A 15 -18.223 -3.571 3.459 1.00 0.00 N ATOM 0 H LYS A 15 -12.054 -2.781 3.377 1.00 0.00 H new ATOM 0 HA LYS A 15 -14.100 -0.768 3.956 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -12.839 -2.898 5.729 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -14.268 -1.952 6.096 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -14.105 -3.813 3.704 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -14.656 -4.341 5.282 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -16.324 -2.347 5.159 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -15.923 -2.281 3.454 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -16.494 -4.791 3.362 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -17.160 -4.605 4.972 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -18.865 -4.371 3.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -18.670 -2.905 4.121 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -18.025 -3.086 2.561 1.00 0.00 H new ATOM 220 N HIS A 16 -12.844 0.343 6.033 1.00 0.00 N ATOM 221 CA HIS A 16 -12.060 1.300 6.806 1.00 0.00 C ATOM 222 C HIS A 16 -11.346 0.608 7.963 1.00 0.00 C ATOM 223 O HIS A 16 -10.456 1.184 8.591 1.00 0.00 O ATOM 224 CB HIS A 16 -12.960 2.415 7.339 1.00 0.00 C ATOM 225 CG HIS A 16 -13.861 3.006 6.300 1.00 0.00 C ATOM 226 ND1 HIS A 16 -13.460 4.002 5.435 1.00 0.00 N ATOM 227 CD2 HIS A 16 -15.150 2.735 5.988 1.00 0.00 C ATOM 228 CE1 HIS A 16 -14.464 4.319 4.637 1.00 0.00 C ATOM 229 NE2 HIS A 16 -15.502 3.564 4.952 1.00 0.00 N ATOM 0 H HIS A 16 -13.820 0.268 6.320 1.00 0.00 H new ATOM 0 HA HIS A 16 -11.308 1.734 6.147 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -13.568 2.022 8.154 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -12.337 3.204 7.759 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -15.784 2.002 6.466 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -14.441 5.068 3.859 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -16.416 3.593 4.499 1.00 0.00 H new ATOM 238 N HIS A 17 -11.742 -0.630 8.242 1.00 0.00 N ATOM 239 CA HIS A 17 -11.139 -1.400 9.325 1.00 0.00 C ATOM 240 C HIS A 17 -9.885 -2.123 8.844 1.00 0.00 C ATOM 241 O HIS A 17 -8.785 -1.865 9.331 1.00 0.00 O ATOM 242 CB HIS A 17 -12.144 -2.411 9.880 1.00 0.00 C ATOM 243 CG HIS A 17 -13.267 -1.781 10.645 1.00 0.00 C ATOM 244 ND1 HIS A 17 -13.257 -1.637 12.016 1.00 0.00 N ATOM 245 CD2 HIS A 17 -14.439 -1.252 10.222 1.00 0.00 C ATOM 246 CE1 HIS A 17 -14.374 -1.050 12.404 1.00 0.00 C ATOM 247 NE2 HIS A 17 -15.110 -0.806 11.334 1.00 0.00 N ATOM 0 H HIS A 17 -12.477 -1.121 7.734 1.00 0.00 H new ATOM 0 HA HIS A 17 -10.856 -0.707 10.118 1.00 0.00 H new ATOM 0 HB2 HIS A 17 -12.558 -2.990 9.055 1.00 0.00 H new ATOM 0 HB3 HIS A 17 -11.620 -3.112 10.530 1.00 0.00 H new ATOM 0 HD2 HIS A 17 -14.783 -1.192 9.200 1.00 0.00 H new ATOM 0 HE1 HIS A 17 -14.641 -0.810 13.423 1.00 0.00 H new ATOM 0 HE2 HIS A 17 -16.027 -0.359 11.334 1.00 0.00 H new ATOM 256 N GLN A 18 -10.060 -3.029 7.888 1.00 0.00 N ATOM 257 CA GLN A 18 -8.942 -3.790 7.344 1.00 0.00 C ATOM 258 C GLN A 18 -7.812 -2.863 6.911 1.00 0.00 C ATOM 259 O GLN A 18 -6.653 -3.064 7.278 1.00 0.00 O ATOM 260 CB GLN A 18 -9.404 -4.639 6.158 1.00 0.00 C ATOM 261 CG GLN A 18 -10.562 -4.027 5.388 1.00 0.00 C ATOM 262 CD GLN A 18 -10.550 -4.404 3.919 1.00 0.00 C ATOM 263 OE1 GLN A 18 -11.396 -5.169 3.456 1.00 0.00 O ATOM 264 NE2 GLN A 18 -9.588 -3.867 3.177 1.00 0.00 N ATOM 0 H GLN A 18 -10.965 -3.254 7.474 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.567 -4.448 8.128 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -8.565 -4.787 5.479 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -9.699 -5.624 6.520 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -11.502 -4.351 5.835 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -10.522 -2.942 5.481 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -8.907 -3.238 3.602 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -9.530 -4.084 2.182 1.00 0.00 H new ATOM 273 N LEU A 19 -8.154 -1.845 6.128 1.00 0.00 N ATOM 274 CA LEU A 19 -7.168 -0.886 5.644 1.00 0.00 C ATOM 275 C LEU A 19 -6.437 -0.224 6.807 1.00 0.00 C ATOM 276 O LEU A 19 -5.211 -0.111 6.800 1.00 0.00 O ATOM 277 CB LEU A 19 -7.845 0.178 4.780 1.00 0.00 C ATOM 278 CG LEU A 19 -7.936 -0.130 3.285 1.00 0.00 C ATOM 279 CD1 LEU A 19 -8.475 1.071 2.523 1.00 0.00 C ATOM 280 CD2 LEU A 19 -6.575 -0.541 2.741 1.00 0.00 C ATOM 0 H LEU A 19 -9.108 -1.663 5.815 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.438 -1.425 5.040 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -8.854 0.338 5.160 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -7.305 1.117 4.905 1.00 0.00 H new ATOM 0 HG LEU A 19 -8.627 -0.962 3.147 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.532 0.832 1.461 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -9.469 1.320 2.893 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.810 1.922 2.668 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.659 -0.756 1.676 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.863 0.270 2.892 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -6.228 -1.431 3.265 1.00 0.00 H new ATOM 292 N ARG A 20 -7.198 0.213 7.807 1.00 0.00 N ATOM 293 CA ARG A 20 -6.622 0.864 8.977 1.00 0.00 C ATOM 294 C ARG A 20 -5.370 0.131 9.446 1.00 0.00 C ATOM 295 O ARG A 20 -4.464 0.732 10.025 1.00 0.00 O ATOM 296 CB ARG A 20 -7.649 0.921 10.111 1.00 0.00 C ATOM 297 CG ARG A 20 -7.212 1.784 11.284 1.00 0.00 C ATOM 298 CD ARG A 20 -8.406 2.391 12.002 1.00 0.00 C ATOM 299 NE ARG A 20 -8.012 3.099 13.218 1.00 0.00 N ATOM 300 CZ ARG A 20 -8.757 4.031 13.800 1.00 0.00 C ATOM 301 NH1 ARG A 20 -9.930 4.367 13.281 1.00 0.00 N ATOM 302 NH2 ARG A 20 -8.330 4.630 14.904 1.00 0.00 N ATOM 0 H ARG A 20 -8.214 0.128 7.829 1.00 0.00 H new ATOM 0 HA ARG A 20 -6.343 1.880 8.697 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -8.590 1.305 9.719 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.842 -0.091 10.467 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.632 1.182 11.984 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.557 2.579 10.928 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.920 3.080 11.332 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -9.116 1.603 12.255 1.00 0.00 H new ATOM 0 HE ARG A 20 -7.115 2.864 13.643 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -10.262 3.909 12.432 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -10.500 5.083 13.730 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -7.428 4.375 15.307 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -8.903 5.346 15.350 1.00 0.00 H new ATOM 316 N THR A 21 -5.325 -1.174 9.193 1.00 0.00 N ATOM 317 CA THR A 21 -4.185 -1.990 9.591 1.00 0.00 C ATOM 318 C THR A 21 -3.133 -2.040 8.488 1.00 0.00 C ATOM 319 O THR A 21 -1.937 -2.131 8.762 1.00 0.00 O ATOM 320 CB THR A 21 -4.616 -3.427 9.937 1.00 0.00 C ATOM 321 OG1 THR A 21 -5.382 -3.430 11.147 1.00 0.00 O ATOM 322 CG2 THR A 21 -3.404 -4.332 10.097 1.00 0.00 C ATOM 0 H THR A 21 -6.065 -1.688 8.714 1.00 0.00 H new ATOM 0 HA THR A 21 -3.757 -1.523 10.478 1.00 0.00 H new ATOM 0 HB THR A 21 -5.228 -3.806 9.118 1.00 0.00 H new ATOM 0 HG1 THR A 21 -5.654 -4.347 11.360 1.00 0.00 H new ATOM 0 HG21 THR A 21 -3.734 -5.342 10.341 1.00 0.00 H new ATOM 0 HG22 THR A 21 -2.838 -4.350 9.166 1.00 0.00 H new ATOM 0 HG23 THR A 21 -2.770 -3.953 10.899 1.00 0.00 H new ATOM 330 N MET A 22 -3.587 -1.980 7.240 1.00 0.00 N ATOM 331 CA MET A 22 -2.683 -2.015 6.097 1.00 0.00 C ATOM 332 C MET A 22 -1.997 -0.667 5.903 1.00 0.00 C ATOM 333 O MET A 22 -0.769 -0.576 5.912 1.00 0.00 O ATOM 334 CB MET A 22 -3.447 -2.398 4.828 1.00 0.00 C ATOM 335 CG MET A 22 -4.044 -3.796 4.877 1.00 0.00 C ATOM 336 SD MET A 22 -5.538 -3.949 3.879 1.00 0.00 S ATOM 337 CE MET A 22 -4.872 -3.711 2.234 1.00 0.00 C ATOM 0 H MET A 22 -4.575 -1.907 6.995 1.00 0.00 H new ATOM 0 HA MET A 22 -1.918 -2.766 6.294 1.00 0.00 H new ATOM 0 HB2 MET A 22 -4.247 -1.676 4.663 1.00 0.00 H new ATOM 0 HB3 MET A 22 -2.774 -2.329 3.974 1.00 0.00 H new ATOM 0 HG2 MET A 22 -3.303 -4.516 4.528 1.00 0.00 H new ATOM 0 HG3 MET A 22 -4.275 -4.052 5.911 1.00 0.00 H new ATOM 0 HE1 MET A 22 -5.503 -4.225 1.508 1.00 0.00 H new ATOM 0 HE2 MET A 22 -4.846 -2.646 2.003 1.00 0.00 H new ATOM 0 HE3 MET A 22 -3.862 -4.117 2.188 1.00 0.00 H new ATOM 347 N LYS A 23 -2.797 0.379 5.727 1.00 0.00 N ATOM 348 CA LYS A 23 -2.267 1.724 5.532 1.00 0.00 C ATOM 349 C LYS A 23 -1.272 2.081 6.631 1.00 0.00 C ATOM 350 O LYS A 23 -0.167 2.546 6.353 1.00 0.00 O ATOM 351 CB LYS A 23 -3.407 2.745 5.509 1.00 0.00 C ATOM 352 CG LYS A 23 -4.454 2.465 4.445 1.00 0.00 C ATOM 353 CD LYS A 23 -5.646 3.398 4.576 1.00 0.00 C ATOM 354 CE LYS A 23 -5.394 4.726 3.878 1.00 0.00 C ATOM 355 NZ LYS A 23 -4.298 5.495 4.530 1.00 0.00 N ATOM 0 H LYS A 23 -3.815 0.322 5.715 1.00 0.00 H new ATOM 0 HA LYS A 23 -1.747 1.748 4.574 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -3.890 2.760 6.486 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -2.990 3.739 5.344 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -4.009 2.579 3.457 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -4.789 1.431 4.527 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -6.530 2.923 4.149 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -5.857 3.574 5.631 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -5.139 4.545 2.834 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -6.308 5.319 3.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -4.459 6.513 4.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -4.281 5.281 5.548 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -3.387 5.229 4.105 1.00 0.00 H new ATOM 369 N SER A 24 -1.671 1.859 7.879 1.00 0.00 N ATOM 370 CA SER A 24 -0.814 2.161 9.021 1.00 0.00 C ATOM 371 C SER A 24 0.561 1.522 8.850 1.00 0.00 C ATOM 372 O SER A 24 1.560 2.026 9.365 1.00 0.00 O ATOM 373 CB SER A 24 -1.462 1.668 10.315 1.00 0.00 C ATOM 374 OG SER A 24 -1.009 2.418 11.429 1.00 0.00 O ATOM 0 H SER A 24 -2.582 1.471 8.126 1.00 0.00 H new ATOM 0 HA SER A 24 -0.689 3.242 9.076 1.00 0.00 H new ATOM 0 HB2 SER A 24 -2.546 1.747 10.236 1.00 0.00 H new ATOM 0 HB3 SER A 24 -1.229 0.614 10.463 1.00 0.00 H new ATOM 0 HG SER A 24 -1.439 2.085 12.244 1.00 0.00 H new ATOM 380 N TYR A 25 0.604 0.409 8.126 1.00 0.00 N ATOM 381 CA TYR A 25 1.855 -0.301 7.891 1.00 0.00 C ATOM 382 C TYR A 25 2.649 0.352 6.765 1.00 0.00 C ATOM 383 O TYR A 25 3.863 0.532 6.869 1.00 0.00 O ATOM 384 CB TYR A 25 1.577 -1.767 7.548 1.00 0.00 C ATOM 385 CG TYR A 25 2.829 -2.589 7.344 1.00 0.00 C ATOM 386 CD1 TYR A 25 3.609 -2.433 6.204 1.00 0.00 C ATOM 387 CD2 TYR A 25 3.233 -3.522 8.292 1.00 0.00 C ATOM 388 CE1 TYR A 25 4.753 -3.183 6.014 1.00 0.00 C ATOM 389 CE2 TYR A 25 4.377 -4.275 8.111 1.00 0.00 C ATOM 390 CZ TYR A 25 5.133 -4.103 6.970 1.00 0.00 C ATOM 391 OH TYR A 25 6.273 -4.850 6.784 1.00 0.00 O ATOM 0 H TYR A 25 -0.213 -0.021 7.692 1.00 0.00 H new ATOM 0 HA TYR A 25 2.447 -0.253 8.805 1.00 0.00 H new ATOM 0 HB2 TYR A 25 0.986 -2.213 8.348 1.00 0.00 H new ATOM 0 HB3 TYR A 25 0.972 -1.811 6.642 1.00 0.00 H new ATOM 0 HD1 TYR A 25 3.315 -1.713 5.454 1.00 0.00 H new ATOM 0 HD2 TYR A 25 2.642 -3.661 9.185 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.347 -3.050 5.122 1.00 0.00 H new ATOM 0 HE2 TYR A 25 4.678 -4.994 8.858 1.00 0.00 H new ATOM 0 HH TYR A 25 6.832 -4.800 7.588 1.00 0.00 H new ATOM 401 N PHE A 26 1.956 0.709 5.689 1.00 0.00 N ATOM 402 CA PHE A 26 2.594 1.344 4.542 1.00 0.00 C ATOM 403 C PHE A 26 3.568 2.428 4.994 1.00 0.00 C ATOM 404 O PHE A 26 4.568 2.697 4.327 1.00 0.00 O ATOM 405 CB PHE A 26 1.539 1.946 3.612 1.00 0.00 C ATOM 406 CG PHE A 26 2.123 2.667 2.430 1.00 0.00 C ATOM 407 CD1 PHE A 26 2.989 2.018 1.565 1.00 0.00 C ATOM 408 CD2 PHE A 26 1.806 3.993 2.185 1.00 0.00 C ATOM 409 CE1 PHE A 26 3.527 2.677 0.476 1.00 0.00 C ATOM 410 CE2 PHE A 26 2.341 4.657 1.098 1.00 0.00 C ATOM 411 CZ PHE A 26 3.204 3.999 0.243 1.00 0.00 C ATOM 0 H PHE A 26 0.951 0.569 5.587 1.00 0.00 H new ATOM 0 HA PHE A 26 3.152 0.581 4.000 1.00 0.00 H new ATOM 0 HB2 PHE A 26 0.884 1.151 3.255 1.00 0.00 H new ATOM 0 HB3 PHE A 26 0.918 2.639 4.180 1.00 0.00 H new ATOM 0 HD1 PHE A 26 3.247 0.985 1.744 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.133 4.513 2.851 1.00 0.00 H new ATOM 0 HE1 PHE A 26 4.199 2.159 -0.192 1.00 0.00 H new ATOM 0 HE2 PHE A 26 2.085 5.690 0.917 1.00 0.00 H new ATOM 0 HZ PHE A 26 3.625 4.518 -0.606 1.00 0.00 H new ATOM 421 N ALA A 27 3.269 3.048 6.131 1.00 0.00 N ATOM 422 CA ALA A 27 4.118 4.101 6.673 1.00 0.00 C ATOM 423 C ALA A 27 5.333 3.516 7.384 1.00 0.00 C ATOM 424 O ALA A 27 6.411 4.110 7.383 1.00 0.00 O ATOM 425 CB ALA A 27 3.322 4.983 7.624 1.00 0.00 C ATOM 0 H ALA A 27 2.445 2.839 6.694 1.00 0.00 H new ATOM 0 HA ALA A 27 4.475 4.710 5.842 1.00 0.00 H new ATOM 0 HB1 ALA A 27 3.968 5.765 8.022 1.00 0.00 H new ATOM 0 HB2 ALA A 27 2.489 5.438 7.087 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.937 4.378 8.445 1.00 0.00 H new ATOM 431 N ILE A 28 5.151 2.348 7.992 1.00 0.00 N ATOM 432 CA ILE A 28 6.233 1.683 8.707 1.00 0.00 C ATOM 433 C ILE A 28 7.222 1.046 7.737 1.00 0.00 C ATOM 434 O ILE A 28 8.429 1.266 7.831 1.00 0.00 O ATOM 435 CB ILE A 28 5.696 0.598 9.659 1.00 0.00 C ATOM 436 CG1 ILE A 28 4.613 1.181 10.570 1.00 0.00 C ATOM 437 CG2 ILE A 28 6.830 0.010 10.486 1.00 0.00 C ATOM 438 CD1 ILE A 28 3.821 0.129 11.317 1.00 0.00 C ATOM 0 H ILE A 28 4.265 1.843 8.003 1.00 0.00 H new ATOM 0 HA ILE A 28 6.742 2.449 9.292 1.00 0.00 H new ATOM 0 HB ILE A 28 5.254 -0.201 9.064 1.00 0.00 H new ATOM 0 HG12 ILE A 28 5.079 1.853 11.291 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.929 1.781 9.970 1.00 0.00 H new ATOM 0 HG21 ILE A 28 6.434 -0.755 11.154 1.00 0.00 H new ATOM 0 HG22 ILE A 28 7.571 -0.435 9.822 1.00 0.00 H new ATOM 0 HG23 ILE A 28 7.298 0.799 11.075 1.00 0.00 H new ATOM 0 HD11 ILE A 28 3.072 0.614 11.943 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.326 -0.529 10.603 1.00 0.00 H new ATOM 0 HD13 ILE A 28 4.494 -0.456 11.944 1.00 0.00 H new ATOM 450 N ASN A 29 6.703 0.256 6.803 1.00 0.00 N ATOM 451 CA ASN A 29 7.541 -0.412 5.814 1.00 0.00 C ATOM 452 C ASN A 29 6.860 -0.431 4.449 1.00 0.00 C ATOM 453 O ASN A 29 5.793 -1.023 4.283 1.00 0.00 O ATOM 454 CB ASN A 29 7.852 -1.842 6.261 1.00 0.00 C ATOM 455 CG ASN A 29 8.675 -2.602 5.239 1.00 0.00 C ATOM 456 OD1 ASN A 29 8.903 -2.121 4.129 1.00 0.00 O ATOM 457 ND2 ASN A 29 9.126 -3.794 5.610 1.00 0.00 N ATOM 0 H ASN A 29 5.706 0.063 6.710 1.00 0.00 H new ATOM 0 HA ASN A 29 8.474 0.146 5.728 1.00 0.00 H new ATOM 0 HB2 ASN A 29 8.390 -1.814 7.209 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.918 -2.375 6.440 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.686 -4.351 4.965 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.912 -4.153 6.540 1.00 0.00 H new ATOM 464 N HIS A 30 7.487 0.219 3.473 1.00 0.00 N ATOM 465 CA HIS A 30 6.942 0.276 2.121 1.00 0.00 C ATOM 466 C HIS A 30 7.047 -1.083 1.435 1.00 0.00 C ATOM 467 O HIS A 30 6.125 -1.511 0.743 1.00 0.00 O ATOM 468 CB HIS A 30 7.677 1.334 1.297 1.00 0.00 C ATOM 469 CG HIS A 30 8.133 2.511 2.104 1.00 0.00 C ATOM 470 ND1 HIS A 30 9.283 3.219 1.819 1.00 0.00 N ATOM 471 CD2 HIS A 30 7.588 3.105 3.190 1.00 0.00 C ATOM 472 CE1 HIS A 30 9.424 4.195 2.697 1.00 0.00 C ATOM 473 NE2 HIS A 30 8.408 4.148 3.540 1.00 0.00 N ATOM 0 H HIS A 30 8.371 0.713 3.593 1.00 0.00 H new ATOM 0 HA HIS A 30 5.889 0.547 2.191 1.00 0.00 H new ATOM 0 HB2 HIS A 30 8.542 0.874 0.819 1.00 0.00 H new ATOM 0 HB3 HIS A 30 7.020 1.683 0.500 1.00 0.00 H new ATOM 0 HD2 HIS A 30 6.676 2.813 3.689 1.00 0.00 H new ATOM 0 HE1 HIS A 30 10.233 4.910 2.722 1.00 0.00 H new ATOM 0 HE2 HIS A 30 8.258 4.784 4.323 1.00 0.00 H new ATOM 482 N ASN A 31 8.177 -1.754 1.632 1.00 0.00 N ATOM 483 CA ASN A 31 8.403 -3.063 1.032 1.00 0.00 C ATOM 484 C ASN A 31 8.329 -4.165 2.085 1.00 0.00 C ATOM 485 O ASN A 31 9.344 -4.650 2.584 1.00 0.00 O ATOM 486 CB ASN A 31 9.764 -3.100 0.334 1.00 0.00 C ATOM 487 CG ASN A 31 10.041 -1.837 -0.460 1.00 0.00 C ATOM 488 OD1 ASN A 31 11.029 -1.143 -0.217 1.00 0.00 O ATOM 489 ND2 ASN A 31 9.168 -1.534 -1.412 1.00 0.00 N ATOM 0 H ASN A 31 8.950 -1.412 2.203 1.00 0.00 H new ATOM 0 HA ASN A 31 7.619 -3.236 0.295 1.00 0.00 H new ATOM 0 HB2 ASN A 31 10.548 -3.237 1.079 1.00 0.00 H new ATOM 0 HB3 ASN A 31 9.804 -3.961 -0.333 1.00 0.00 H new ATOM 0 HD21 ASN A 31 9.301 -0.696 -1.978 1.00 0.00 H new ATOM 0 HD22 ASN A 31 8.364 -2.139 -1.578 1.00 0.00 H new ATOM 496 N PRO A 32 7.098 -4.571 2.431 1.00 0.00 N ATOM 497 CA PRO A 32 6.862 -5.620 3.427 1.00 0.00 C ATOM 498 C PRO A 32 7.282 -6.998 2.928 1.00 0.00 C ATOM 499 O PRO A 32 7.144 -7.309 1.744 1.00 0.00 O ATOM 500 CB PRO A 32 5.347 -5.569 3.644 1.00 0.00 C ATOM 501 CG PRO A 32 4.803 -5.000 2.379 1.00 0.00 C ATOM 502 CD PRO A 32 5.842 -4.037 1.876 1.00 0.00 C ATOM 0 HA PRO A 32 7.442 -5.457 4.335 1.00 0.00 H new ATOM 0 HB2 PRO A 32 4.941 -6.562 3.838 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.090 -4.946 4.501 1.00 0.00 H new ATOM 0 HG2 PRO A 32 4.613 -5.786 1.648 1.00 0.00 H new ATOM 0 HG3 PRO A 32 3.854 -4.493 2.556 1.00 0.00 H new ATOM 0 HD2 PRO A 32 5.866 -4.004 0.787 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.650 -3.021 2.222 1.00 0.00 H new ATOM 510 N ASP A 33 7.795 -7.820 3.837 1.00 0.00 N ATOM 511 CA ASP A 33 8.234 -9.167 3.489 1.00 0.00 C ATOM 512 C ASP A 33 7.107 -10.175 3.687 1.00 0.00 C ATOM 513 O ASP A 33 6.106 -9.881 4.339 1.00 0.00 O ATOM 514 CB ASP A 33 9.445 -9.565 4.334 1.00 0.00 C ATOM 515 CG ASP A 33 10.509 -8.485 4.366 1.00 0.00 C ATOM 516 OD1 ASP A 33 10.639 -7.749 3.365 1.00 0.00 O ATOM 517 OD2 ASP A 33 11.211 -8.375 5.393 1.00 0.00 O ATOM 0 H ASP A 33 7.917 -7.577 4.820 1.00 0.00 H new ATOM 0 HA ASP A 33 8.518 -9.169 2.437 1.00 0.00 H new ATOM 0 HB2 ASP A 33 9.119 -9.780 5.352 1.00 0.00 H new ATOM 0 HB3 ASP A 33 9.876 -10.484 3.936 1.00 0.00 H new ATOM 522 N ALA A 34 7.276 -11.363 3.117 1.00 0.00 N ATOM 523 CA ALA A 34 6.273 -12.415 3.232 1.00 0.00 C ATOM 524 C ALA A 34 5.647 -12.427 4.623 1.00 0.00 C ATOM 525 O ALA A 34 4.427 -12.335 4.767 1.00 0.00 O ATOM 526 CB ALA A 34 6.889 -13.769 2.917 1.00 0.00 C ATOM 0 H ALA A 34 8.098 -11.621 2.571 1.00 0.00 H new ATOM 0 HA ALA A 34 5.484 -12.211 2.508 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.128 -14.545 3.007 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.282 -13.762 1.900 1.00 0.00 H new ATOM 0 HB3 ALA A 34 7.699 -13.972 3.618 1.00 0.00 H new ATOM 532 N LYS A 35 6.489 -12.542 5.645 1.00 0.00 N ATOM 533 CA LYS A 35 6.019 -12.566 7.024 1.00 0.00 C ATOM 534 C LYS A 35 4.938 -11.515 7.249 1.00 0.00 C ATOM 535 O LYS A 35 3.864 -11.815 7.772 1.00 0.00 O ATOM 536 CB LYS A 35 7.185 -12.329 7.986 1.00 0.00 C ATOM 537 CG LYS A 35 6.748 -11.950 9.391 1.00 0.00 C ATOM 538 CD LYS A 35 5.984 -13.081 10.060 1.00 0.00 C ATOM 539 CE LYS A 35 6.058 -12.982 11.575 1.00 0.00 C ATOM 540 NZ LYS A 35 5.044 -12.037 12.121 1.00 0.00 N ATOM 0 H LYS A 35 7.501 -12.620 5.543 1.00 0.00 H new ATOM 0 HA LYS A 35 5.590 -13.549 7.218 1.00 0.00 H new ATOM 0 HB2 LYS A 35 7.794 -13.232 8.035 1.00 0.00 H new ATOM 0 HB3 LYS A 35 7.820 -11.538 7.586 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.623 -11.696 9.990 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.121 -11.060 9.350 1.00 0.00 H new ATOM 0 HD2 LYS A 35 4.941 -13.055 9.743 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.392 -14.039 9.736 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.906 -13.969 12.011 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.055 -12.654 11.869 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 5.161 -11.959 13.151 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 5.172 -11.101 11.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 4.090 -12.390 11.907 1.00 0.00 H new ATOM 554 N ASP A 36 5.227 -10.280 6.851 1.00 0.00 N ATOM 555 CA ASP A 36 4.279 -9.184 7.007 1.00 0.00 C ATOM 556 C ASP A 36 3.053 -9.396 6.125 1.00 0.00 C ATOM 557 O ASP A 36 1.922 -9.142 6.542 1.00 0.00 O ATOM 558 CB ASP A 36 4.946 -7.851 6.662 1.00 0.00 C ATOM 559 CG ASP A 36 6.174 -7.582 7.510 1.00 0.00 C ATOM 560 OD1 ASP A 36 6.023 -7.429 8.740 1.00 0.00 O ATOM 561 OD2 ASP A 36 7.286 -7.524 6.944 1.00 0.00 O ATOM 0 H ASP A 36 6.111 -10.014 6.418 1.00 0.00 H new ATOM 0 HA ASP A 36 3.956 -9.161 8.048 1.00 0.00 H new ATOM 0 HB2 ASP A 36 5.228 -7.851 5.609 1.00 0.00 H new ATOM 0 HB3 ASP A 36 4.228 -7.042 6.800 1.00 0.00 H new ATOM 566 N LEU A 37 3.283 -9.863 4.902 1.00 0.00 N ATOM 567 CA LEU A 37 2.198 -10.108 3.960 1.00 0.00 C ATOM 568 C LEU A 37 1.170 -11.067 4.552 1.00 0.00 C ATOM 569 O LEU A 37 -0.021 -10.759 4.612 1.00 0.00 O ATOM 570 CB LEU A 37 2.750 -10.679 2.652 1.00 0.00 C ATOM 571 CG LEU A 37 3.183 -9.654 1.602 1.00 0.00 C ATOM 572 CD1 LEU A 37 3.907 -10.339 0.454 1.00 0.00 C ATOM 573 CD2 LEU A 37 1.979 -8.877 1.089 1.00 0.00 C ATOM 0 H LEU A 37 4.212 -10.079 4.540 1.00 0.00 H new ATOM 0 HA LEU A 37 1.706 -9.157 3.755 1.00 0.00 H new ATOM 0 HB2 LEU A 37 3.606 -11.312 2.888 1.00 0.00 H new ATOM 0 HB3 LEU A 37 1.989 -11.323 2.210 1.00 0.00 H new ATOM 0 HG LEU A 37 3.872 -8.951 2.070 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.207 -9.594 -0.283 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.791 -10.850 0.835 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.242 -11.065 -0.014 1.00 0.00 H new ATOM 0 HD21 LEU A 37 2.305 -8.152 0.343 1.00 0.00 H new ATOM 0 HD22 LEU A 37 1.266 -9.567 0.638 1.00 0.00 H new ATOM 0 HD23 LEU A 37 1.503 -8.355 1.919 1.00 0.00 H new ATOM 585 N LYS A 38 1.637 -12.231 4.989 1.00 0.00 N ATOM 586 CA LYS A 38 0.760 -13.236 5.580 1.00 0.00 C ATOM 587 C LYS A 38 0.056 -12.683 6.815 1.00 0.00 C ATOM 588 O LYS A 38 -1.100 -13.012 7.079 1.00 0.00 O ATOM 589 CB LYS A 38 1.560 -14.486 5.951 1.00 0.00 C ATOM 590 CG LYS A 38 2.579 -14.251 7.054 1.00 0.00 C ATOM 591 CD LYS A 38 3.130 -15.560 7.592 1.00 0.00 C ATOM 592 CE LYS A 38 3.813 -15.366 8.937 1.00 0.00 C ATOM 593 NZ LYS A 38 4.174 -16.666 9.569 1.00 0.00 N ATOM 0 H LYS A 38 2.619 -12.503 4.945 1.00 0.00 H new ATOM 0 HA LYS A 38 0.004 -13.503 4.842 1.00 0.00 H new ATOM 0 HB2 LYS A 38 0.870 -15.269 6.266 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.076 -14.854 5.064 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.397 -13.641 6.671 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.116 -13.690 7.865 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.320 -16.282 7.695 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.841 -15.977 6.879 1.00 0.00 H new ATOM 0 HE2 LYS A 38 4.712 -14.765 8.804 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.153 -14.810 9.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.637 -16.491 10.484 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.313 -17.230 9.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.824 -17.186 8.946 1.00 0.00 H new ATOM 607 N GLN A 39 0.759 -11.843 7.565 1.00 0.00 N ATOM 608 CA GLN A 39 0.201 -11.245 8.772 1.00 0.00 C ATOM 609 C GLN A 39 -0.994 -10.358 8.437 1.00 0.00 C ATOM 610 O GLN A 39 -2.047 -10.451 9.069 1.00 0.00 O ATOM 611 CB GLN A 39 1.267 -10.428 9.504 1.00 0.00 C ATOM 612 CG GLN A 39 2.130 -11.256 10.441 1.00 0.00 C ATOM 613 CD GLN A 39 1.362 -11.767 11.645 1.00 0.00 C ATOM 614 OE1 GLN A 39 1.233 -12.974 11.847 1.00 0.00 O ATOM 615 NE2 GLN A 39 0.848 -10.846 12.452 1.00 0.00 N ATOM 0 H GLN A 39 1.717 -11.560 7.359 1.00 0.00 H new ATOM 0 HA GLN A 39 -0.138 -12.051 9.422 1.00 0.00 H new ATOM 0 HB2 GLN A 39 1.908 -9.940 8.769 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.779 -9.638 10.075 1.00 0.00 H new ATOM 0 HG2 GLN A 39 2.545 -12.102 9.894 1.00 0.00 H new ATOM 0 HG3 GLN A 39 2.972 -10.653 10.781 1.00 0.00 H new ATOM 0 HE21 GLN A 39 0.980 -9.856 12.245 1.00 0.00 H new ATOM 0 HE22 GLN A 39 0.321 -11.129 13.278 1.00 0.00 H new ATOM 624 N LEU A 40 -0.825 -9.497 7.438 1.00 0.00 N ATOM 625 CA LEU A 40 -1.889 -8.592 7.019 1.00 0.00 C ATOM 626 C LEU A 40 -3.070 -9.370 6.446 1.00 0.00 C ATOM 627 O LEU A 40 -4.227 -9.028 6.688 1.00 0.00 O ATOM 628 CB LEU A 40 -1.363 -7.602 5.979 1.00 0.00 C ATOM 629 CG LEU A 40 -0.334 -6.587 6.479 1.00 0.00 C ATOM 630 CD1 LEU A 40 0.342 -5.892 5.308 1.00 0.00 C ATOM 631 CD2 LEU A 40 -0.993 -5.569 7.398 1.00 0.00 C ATOM 0 H LEU A 40 0.039 -9.407 6.904 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.231 -8.041 7.895 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -0.918 -8.168 5.161 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -2.211 -7.056 5.565 1.00 0.00 H new ATOM 0 HG LEU A 40 0.428 -7.120 7.047 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.071 -5.173 5.683 1.00 0.00 H new ATOM 0 HD12 LEU A 40 0.848 -6.632 4.688 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -0.407 -5.371 4.712 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -0.246 -4.855 7.744 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -1.776 -5.041 6.854 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.430 -6.082 8.255 1.00 0.00 H new ATOM 643 N ALA A 41 -2.769 -10.418 5.688 1.00 0.00 N ATOM 644 CA ALA A 41 -3.805 -11.247 5.083 1.00 0.00 C ATOM 645 C ALA A 41 -4.879 -11.612 6.102 1.00 0.00 C ATOM 646 O ALA A 41 -6.073 -11.512 5.822 1.00 0.00 O ATOM 647 CB ALA A 41 -3.194 -12.505 4.485 1.00 0.00 C ATOM 0 H ALA A 41 -1.816 -10.714 5.478 1.00 0.00 H new ATOM 0 HA ALA A 41 -4.276 -10.672 4.286 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -3.980 -13.114 4.037 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -2.468 -12.229 3.720 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -2.696 -13.075 5.269 1.00 0.00 H new ATOM 653 N GLN A 42 -4.446 -12.036 7.285 1.00 0.00 N ATOM 654 CA GLN A 42 -5.372 -12.417 8.345 1.00 0.00 C ATOM 655 C GLN A 42 -5.832 -11.195 9.132 1.00 0.00 C ATOM 656 O GLN A 42 -7.020 -11.036 9.416 1.00 0.00 O ATOM 657 CB GLN A 42 -4.714 -13.427 9.287 1.00 0.00 C ATOM 658 CG GLN A 42 -4.297 -14.718 8.601 1.00 0.00 C ATOM 659 CD GLN A 42 -4.017 -15.837 9.584 1.00 0.00 C ATOM 660 OE1 GLN A 42 -4.742 -16.832 9.632 1.00 0.00 O ATOM 661 NE2 GLN A 42 -2.962 -15.681 10.374 1.00 0.00 N ATOM 0 H GLN A 42 -3.461 -12.124 7.533 1.00 0.00 H new ATOM 0 HA GLN A 42 -6.245 -12.877 7.882 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -3.837 -12.968 9.743 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -5.407 -13.662 10.095 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -5.084 -15.031 7.915 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -3.405 -14.535 8.001 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -2.389 -14.840 10.300 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -2.724 -16.402 11.055 1.00 0.00 H new ATOM 670 N LYS A 43 -4.885 -10.332 9.484 1.00 0.00 N ATOM 671 CA LYS A 43 -5.191 -9.122 10.236 1.00 0.00 C ATOM 672 C LYS A 43 -6.227 -8.274 9.506 1.00 0.00 C ATOM 673 O LYS A 43 -6.866 -7.405 10.101 1.00 0.00 O ATOM 674 CB LYS A 43 -3.919 -8.305 10.469 1.00 0.00 C ATOM 675 CG LYS A 43 -2.884 -9.018 11.323 1.00 0.00 C ATOM 676 CD LYS A 43 -1.472 -8.595 10.957 1.00 0.00 C ATOM 677 CE LYS A 43 -1.110 -7.258 11.584 1.00 0.00 C ATOM 678 NZ LYS A 43 -0.982 -7.355 13.065 1.00 0.00 N ATOM 0 H LYS A 43 -3.897 -10.449 9.260 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.605 -9.419 11.199 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.474 -8.058 9.505 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -4.185 -7.363 10.948 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.068 -8.802 12.375 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.986 -10.096 11.196 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -0.766 -9.356 11.288 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -1.381 -8.526 9.873 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -0.171 -6.901 11.161 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.873 -6.521 11.333 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.436 -6.544 13.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.928 -7.351 13.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -0.492 -8.238 13.314 1.00 0.00 H new ATOM 692 N THR A 44 -6.390 -8.532 8.212 1.00 0.00 N ATOM 693 CA THR A 44 -7.349 -7.793 7.401 1.00 0.00 C ATOM 694 C THR A 44 -8.368 -8.731 6.763 1.00 0.00 C ATOM 695 O THR A 44 -9.480 -8.321 6.432 1.00 0.00 O ATOM 696 CB THR A 44 -6.644 -6.989 6.292 1.00 0.00 C ATOM 697 OG1 THR A 44 -6.002 -7.880 5.373 1.00 0.00 O ATOM 698 CG2 THR A 44 -5.617 -6.036 6.884 1.00 0.00 C ATOM 0 H THR A 44 -5.870 -9.247 7.704 1.00 0.00 H new ATOM 0 HA THR A 44 -7.863 -7.103 8.070 1.00 0.00 H new ATOM 0 HB THR A 44 -7.397 -6.404 5.764 1.00 0.00 H new ATOM 0 HG1 THR A 44 -5.676 -8.668 5.855 1.00 0.00 H new ATOM 0 HG21 THR A 44 -5.132 -5.479 6.082 1.00 0.00 H new ATOM 0 HG22 THR A 44 -6.114 -5.340 7.560 1.00 0.00 H new ATOM 0 HG23 THR A 44 -4.868 -6.605 7.435 1.00 0.00 H new ATOM 706 N GLY A 45 -7.981 -9.991 6.594 1.00 0.00 N ATOM 707 CA GLY A 45 -8.874 -10.967 5.997 1.00 0.00 C ATOM 708 C GLY A 45 -8.656 -11.116 4.503 1.00 0.00 C ATOM 709 O GLY A 45 -9.003 -12.142 3.917 1.00 0.00 O ATOM 0 H GLY A 45 -7.065 -10.354 6.860 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -8.727 -11.933 6.481 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -9.907 -10.671 6.183 1.00 0.00 H new ATOM 713 N LEU A 46 -8.081 -10.089 3.886 1.00 0.00 N ATOM 714 CA LEU A 46 -7.818 -10.108 2.452 1.00 0.00 C ATOM 715 C LEU A 46 -6.780 -11.169 2.103 1.00 0.00 C ATOM 716 O LEU A 46 -6.076 -11.677 2.977 1.00 0.00 O ATOM 717 CB LEU A 46 -7.338 -8.734 1.983 1.00 0.00 C ATOM 718 CG LEU A 46 -8.201 -7.543 2.401 1.00 0.00 C ATOM 719 CD1 LEU A 46 -7.391 -6.256 2.356 1.00 0.00 C ATOM 720 CD2 LEU A 46 -9.429 -7.434 1.508 1.00 0.00 C ATOM 0 H LEU A 46 -7.788 -9.233 4.357 1.00 0.00 H new ATOM 0 HA LEU A 46 -8.748 -10.354 1.940 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.328 -8.576 2.361 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -7.273 -8.746 0.895 1.00 0.00 H new ATOM 0 HG LEU A 46 -8.535 -7.703 3.426 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -8.021 -5.419 2.656 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.544 -6.335 3.037 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -7.027 -6.090 1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -10.031 -6.581 1.820 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -9.115 -7.297 0.473 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -10.021 -8.346 1.590 1.00 0.00 H new ATOM 732 N THR A 47 -6.686 -11.499 0.818 1.00 0.00 N ATOM 733 CA THR A 47 -5.732 -12.498 0.353 1.00 0.00 C ATOM 734 C THR A 47 -4.362 -11.877 0.106 1.00 0.00 C ATOM 735 O THR A 47 -4.218 -10.655 0.080 1.00 0.00 O ATOM 736 CB THR A 47 -6.217 -13.178 -0.942 1.00 0.00 C ATOM 737 OG1 THR A 47 -6.082 -12.278 -2.047 1.00 0.00 O ATOM 738 CG2 THR A 47 -7.668 -13.616 -0.812 1.00 0.00 C ATOM 0 H THR A 47 -7.259 -11.089 0.081 1.00 0.00 H new ATOM 0 HA THR A 47 -5.651 -13.248 1.140 1.00 0.00 H new ATOM 0 HB THR A 47 -5.602 -14.061 -1.116 1.00 0.00 H new ATOM 0 HG1 THR A 47 -6.391 -12.718 -2.867 1.00 0.00 H new ATOM 0 HG21 THR A 47 -7.988 -14.093 -1.738 1.00 0.00 H new ATOM 0 HG22 THR A 47 -7.762 -14.323 0.012 1.00 0.00 H new ATOM 0 HG23 THR A 47 -8.295 -12.746 -0.617 1.00 0.00 H new ATOM 746 N LYS A 48 -3.357 -12.727 -0.077 1.00 0.00 N ATOM 747 CA LYS A 48 -1.997 -12.262 -0.325 1.00 0.00 C ATOM 748 C LYS A 48 -1.953 -11.324 -1.526 1.00 0.00 C ATOM 749 O LYS A 48 -1.543 -10.169 -1.410 1.00 0.00 O ATOM 750 CB LYS A 48 -1.065 -13.453 -0.559 1.00 0.00 C ATOM 751 CG LYS A 48 0.369 -13.198 -0.125 1.00 0.00 C ATOM 752 CD LYS A 48 0.587 -13.580 1.329 1.00 0.00 C ATOM 753 CE LYS A 48 2.041 -13.936 1.599 1.00 0.00 C ATOM 754 NZ LYS A 48 2.364 -15.322 1.157 1.00 0.00 N ATOM 0 H LYS A 48 -3.459 -13.742 -0.058 1.00 0.00 H new ATOM 0 HA LYS A 48 -1.661 -11.712 0.554 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -1.451 -14.317 -0.019 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -1.075 -13.709 -1.618 1.00 0.00 H new ATOM 0 HG2 LYS A 48 1.049 -13.768 -0.758 1.00 0.00 H new ATOM 0 HG3 LYS A 48 0.611 -12.145 -0.266 1.00 0.00 H new ATOM 0 HD2 LYS A 48 0.288 -12.753 1.973 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -0.050 -14.427 1.583 1.00 0.00 H new ATOM 0 HE2 LYS A 48 2.690 -13.229 1.082 1.00 0.00 H new ATOM 0 HE3 LYS A 48 2.247 -13.837 2.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 3.364 -15.526 1.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 1.762 -15.999 1.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 2.192 -15.410 0.135 1.00 0.00 H new ATOM 768 N ARG A 49 -2.379 -11.827 -2.680 1.00 0.00 N ATOM 769 CA ARG A 49 -2.389 -11.034 -3.903 1.00 0.00 C ATOM 770 C ARG A 49 -2.882 -9.616 -3.627 1.00 0.00 C ATOM 771 O ARG A 49 -2.189 -8.640 -3.914 1.00 0.00 O ATOM 772 CB ARG A 49 -3.274 -11.697 -4.960 1.00 0.00 C ATOM 773 CG ARG A 49 -3.402 -10.889 -6.241 1.00 0.00 C ATOM 774 CD ARG A 49 -2.290 -11.223 -7.224 1.00 0.00 C ATOM 775 NE ARG A 49 -2.463 -12.546 -7.817 1.00 0.00 N ATOM 776 CZ ARG A 49 -1.481 -13.222 -8.404 1.00 0.00 C ATOM 777 NH1 ARG A 49 -0.264 -12.702 -8.476 1.00 0.00 N ATOM 778 NH2 ARG A 49 -1.718 -14.422 -8.921 1.00 0.00 N ATOM 0 H ARG A 49 -2.722 -12.781 -2.793 1.00 0.00 H new ATOM 0 HA ARG A 49 -1.367 -10.979 -4.279 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -2.866 -12.679 -5.199 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -4.267 -11.858 -4.541 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -4.369 -11.088 -6.703 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -3.374 -9.825 -6.006 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -2.267 -10.472 -8.014 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -1.328 -11.178 -6.713 1.00 0.00 H new ATOM 0 HE ARG A 49 -3.388 -12.975 -7.779 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -0.079 -11.780 -8.080 1.00 0.00 H new ATOM 0 HH12 ARG A 49 0.488 -13.224 -8.927 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -2.654 -14.825 -8.868 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -0.964 -14.941 -9.372 1.00 0.00 H new ATOM 792 N VAL A 50 -4.083 -9.511 -3.068 1.00 0.00 N ATOM 793 CA VAL A 50 -4.670 -8.214 -2.754 1.00 0.00 C ATOM 794 C VAL A 50 -3.650 -7.299 -2.082 1.00 0.00 C ATOM 795 O VAL A 50 -3.463 -6.153 -2.493 1.00 0.00 O ATOM 796 CB VAL A 50 -5.895 -8.360 -1.833 1.00 0.00 C ATOM 797 CG1 VAL A 50 -6.261 -7.021 -1.212 1.00 0.00 C ATOM 798 CG2 VAL A 50 -7.073 -8.939 -2.603 1.00 0.00 C ATOM 0 H VAL A 50 -4.669 -10.309 -2.823 1.00 0.00 H new ATOM 0 HA VAL A 50 -4.986 -7.772 -3.699 1.00 0.00 H new ATOM 0 HB VAL A 50 -5.641 -9.049 -1.027 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -7.129 -7.145 -0.565 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -5.421 -6.650 -0.625 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -6.496 -6.306 -2.001 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -7.931 -9.036 -1.937 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -7.328 -8.276 -3.430 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -6.805 -9.920 -2.994 1.00 0.00 H new ATOM 808 N LEU A 51 -2.993 -7.813 -1.048 1.00 0.00 N ATOM 809 CA LEU A 51 -1.991 -7.042 -0.319 1.00 0.00 C ATOM 810 C LEU A 51 -0.826 -6.668 -1.228 1.00 0.00 C ATOM 811 O LEU A 51 -0.473 -5.495 -1.349 1.00 0.00 O ATOM 812 CB LEU A 51 -1.481 -7.840 0.882 1.00 0.00 C ATOM 813 CG LEU A 51 -2.545 -8.323 1.869 1.00 0.00 C ATOM 814 CD1 LEU A 51 -2.030 -9.505 2.674 1.00 0.00 C ATOM 815 CD2 LEU A 51 -2.968 -7.190 2.793 1.00 0.00 C ATOM 0 H LEU A 51 -3.136 -8.759 -0.696 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.460 -6.124 0.035 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.937 -8.709 0.511 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -0.764 -7.223 1.424 1.00 0.00 H new ATOM 0 HG LEU A 51 -3.417 -8.649 1.302 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -2.801 -9.834 3.371 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -1.778 -10.323 1.999 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -1.142 -9.207 3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -3.725 -7.551 3.489 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -2.103 -6.834 3.352 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -3.379 -6.372 2.201 1.00 0.00 H new ATOM 827 N GLN A 52 -0.232 -7.672 -1.865 1.00 0.00 N ATOM 828 CA GLN A 52 0.894 -7.447 -2.764 1.00 0.00 C ATOM 829 C GLN A 52 0.601 -6.300 -3.727 1.00 0.00 C ATOM 830 O GLN A 52 1.359 -5.334 -3.807 1.00 0.00 O ATOM 831 CB GLN A 52 1.208 -8.720 -3.550 1.00 0.00 C ATOM 832 CG GLN A 52 1.586 -9.900 -2.670 1.00 0.00 C ATOM 833 CD GLN A 52 2.069 -11.094 -3.470 1.00 0.00 C ATOM 834 OE1 GLN A 52 2.010 -11.097 -4.701 1.00 0.00 O ATOM 835 NE2 GLN A 52 2.551 -12.117 -2.776 1.00 0.00 N ATOM 0 H GLN A 52 -0.512 -8.649 -1.775 1.00 0.00 H new ATOM 0 HA GLN A 52 1.761 -7.178 -2.160 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.340 -8.989 -4.151 1.00 0.00 H new ATOM 0 HB3 GLN A 52 2.025 -8.517 -4.243 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.367 -9.594 -1.974 1.00 0.00 H new ATOM 0 HG3 GLN A 52 0.723 -10.193 -2.072 1.00 0.00 H new ATOM 0 HE21 GLN A 52 2.582 -12.073 -1.757 1.00 0.00 H new ATOM 0 HE22 GLN A 52 2.891 -12.947 -3.261 1.00 0.00 H new ATOM 844 N VAL A 53 -0.505 -6.414 -4.456 1.00 0.00 N ATOM 845 CA VAL A 53 -0.899 -5.387 -5.413 1.00 0.00 C ATOM 846 C VAL A 53 -1.151 -4.055 -4.717 1.00 0.00 C ATOM 847 O VAL A 53 -0.454 -3.071 -4.965 1.00 0.00 O ATOM 848 CB VAL A 53 -2.167 -5.797 -6.187 1.00 0.00 C ATOM 849 CG1 VAL A 53 -2.578 -4.700 -7.157 1.00 0.00 C ATOM 850 CG2 VAL A 53 -1.940 -7.111 -6.919 1.00 0.00 C ATOM 0 H VAL A 53 -1.144 -7.207 -4.402 1.00 0.00 H new ATOM 0 HA VAL A 53 -0.073 -5.276 -6.116 1.00 0.00 H new ATOM 0 HB VAL A 53 -2.979 -5.940 -5.474 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.475 -5.007 -7.695 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.782 -3.783 -6.604 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -1.772 -4.522 -7.868 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -2.845 -7.387 -7.461 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.116 -6.998 -7.623 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.697 -7.892 -6.198 1.00 0.00 H new ATOM 860 N TRP A 54 -2.151 -4.030 -3.843 1.00 0.00 N ATOM 861 CA TRP A 54 -2.496 -2.818 -3.108 1.00 0.00 C ATOM 862 C TRP A 54 -1.241 -2.061 -2.691 1.00 0.00 C ATOM 863 O TRP A 54 -1.073 -0.887 -3.024 1.00 0.00 O ATOM 864 CB TRP A 54 -3.332 -3.164 -1.875 1.00 0.00 C ATOM 865 CG TRP A 54 -3.733 -1.963 -1.073 1.00 0.00 C ATOM 866 CD1 TRP A 54 -4.907 -1.272 -1.163 1.00 0.00 C ATOM 867 CD2 TRP A 54 -2.957 -1.312 -0.062 1.00 0.00 C ATOM 868 NE1 TRP A 54 -4.908 -0.230 -0.267 1.00 0.00 N ATOM 869 CE2 TRP A 54 -3.724 -0.233 0.421 1.00 0.00 C ATOM 870 CE3 TRP A 54 -1.690 -1.535 0.485 1.00 0.00 C ATOM 871 CZ2 TRP A 54 -3.264 0.619 1.422 1.00 0.00 C ATOM 872 CZ3 TRP A 54 -1.235 -0.689 1.478 1.00 0.00 C ATOM 873 CH2 TRP A 54 -2.021 0.377 1.939 1.00 0.00 C ATOM 0 H TRP A 54 -2.738 -4.836 -3.626 1.00 0.00 H new ATOM 0 HA TRP A 54 -3.083 -2.178 -3.766 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -4.229 -3.697 -2.191 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.765 -3.844 -1.239 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -5.716 -1.509 -1.839 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -5.668 0.438 -0.136 1.00 0.00 H new ATOM 0 HE3 TRP A 54 -1.078 -2.354 0.138 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -3.867 1.441 1.777 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 -0.257 -0.851 1.907 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -1.637 1.020 2.718 1.00 0.00 H new ATOM 884 N PHE A 55 -0.362 -2.737 -1.960 1.00 0.00 N ATOM 885 CA PHE A 55 0.879 -2.126 -1.496 1.00 0.00 C ATOM 886 C PHE A 55 1.705 -1.613 -2.671 1.00 0.00 C ATOM 887 O PHE A 55 1.920 -0.409 -2.812 1.00 0.00 O ATOM 888 CB PHE A 55 1.695 -3.134 -0.684 1.00 0.00 C ATOM 889 CG PHE A 55 1.381 -3.116 0.784 1.00 0.00 C ATOM 890 CD1 PHE A 55 0.353 -3.892 1.296 1.00 0.00 C ATOM 891 CD2 PHE A 55 2.113 -2.323 1.654 1.00 0.00 C ATOM 892 CE1 PHE A 55 0.062 -3.879 2.647 1.00 0.00 C ATOM 893 CE2 PHE A 55 1.826 -2.306 3.005 1.00 0.00 C ATOM 894 CZ PHE A 55 0.798 -3.084 3.503 1.00 0.00 C ATOM 0 H PHE A 55 -0.485 -3.709 -1.676 1.00 0.00 H new ATOM 0 HA PHE A 55 0.623 -1.279 -0.859 1.00 0.00 H new ATOM 0 HB2 PHE A 55 1.512 -4.135 -1.074 1.00 0.00 H new ATOM 0 HB3 PHE A 55 2.756 -2.926 -0.823 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -0.228 -4.514 0.631 1.00 0.00 H new ATOM 0 HD2 PHE A 55 2.917 -1.712 1.271 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -0.740 -4.490 3.033 1.00 0.00 H new ATOM 0 HE2 PHE A 55 2.405 -1.685 3.672 1.00 0.00 H new ATOM 0 HZ PHE A 55 0.571 -3.070 4.559 1.00 0.00 H new ATOM 904 N GLN A 56 2.165 -2.535 -3.510 1.00 0.00 N ATOM 905 CA GLN A 56 2.969 -2.176 -4.673 1.00 0.00 C ATOM 906 C GLN A 56 2.398 -0.946 -5.370 1.00 0.00 C ATOM 907 O GLN A 56 3.142 -0.098 -5.862 1.00 0.00 O ATOM 908 CB GLN A 56 3.037 -3.348 -5.654 1.00 0.00 C ATOM 909 CG GLN A 56 4.204 -4.288 -5.398 1.00 0.00 C ATOM 910 CD GLN A 56 5.527 -3.557 -5.281 1.00 0.00 C ATOM 911 OE1 GLN A 56 5.773 -2.577 -5.985 1.00 0.00 O ATOM 912 NE2 GLN A 56 6.389 -4.031 -4.388 1.00 0.00 N ATOM 0 H GLN A 56 1.995 -3.535 -3.407 1.00 0.00 H new ATOM 0 HA GLN A 56 3.976 -1.941 -4.329 1.00 0.00 H new ATOM 0 HB2 GLN A 56 2.107 -3.913 -5.597 1.00 0.00 H new ATOM 0 HB3 GLN A 56 3.111 -2.958 -6.669 1.00 0.00 H new ATOM 0 HG2 GLN A 56 4.020 -4.848 -4.481 1.00 0.00 H new ATOM 0 HG3 GLN A 56 4.265 -5.014 -6.208 1.00 0.00 H new ATOM 0 HE21 GLN A 56 6.144 -4.846 -3.825 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.296 -3.580 -4.265 1.00 0.00 H new ATOM 921 N ASN A 57 1.073 -0.856 -5.410 1.00 0.00 N ATOM 922 CA ASN A 57 0.402 0.270 -6.050 1.00 0.00 C ATOM 923 C ASN A 57 0.582 1.546 -5.232 1.00 0.00 C ATOM 924 O ASN A 57 0.723 2.635 -5.786 1.00 0.00 O ATOM 925 CB ASN A 57 -1.088 -0.029 -6.226 1.00 0.00 C ATOM 926 CG ASN A 57 -1.384 -0.746 -7.530 1.00 0.00 C ATOM 927 OD1 ASN A 57 -2.193 -0.285 -8.334 1.00 0.00 O ATOM 928 ND2 ASN A 57 -0.726 -1.879 -7.745 1.00 0.00 N ATOM 0 H ASN A 57 0.442 -1.549 -5.007 1.00 0.00 H new ATOM 0 HA ASN A 57 0.854 0.420 -7.031 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -1.434 -0.640 -5.392 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -1.650 0.905 -6.192 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.883 -2.404 -8.605 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -0.064 -2.224 -7.050 1.00 0.00 H new ATOM 935 N ALA A 58 0.577 1.401 -3.911 1.00 0.00 N ATOM 936 CA ALA A 58 0.742 2.540 -3.017 1.00 0.00 C ATOM 937 C ALA A 58 1.915 3.413 -3.451 1.00 0.00 C ATOM 938 O ALA A 58 1.741 4.591 -3.763 1.00 0.00 O ATOM 939 CB ALA A 58 0.939 2.063 -1.585 1.00 0.00 C ATOM 0 H ALA A 58 0.460 0.506 -3.436 1.00 0.00 H new ATOM 0 HA ALA A 58 -0.164 3.143 -3.066 1.00 0.00 H new ATOM 0 HB1 ALA A 58 1.061 2.924 -0.928 1.00 0.00 H new ATOM 0 HB2 ALA A 58 0.069 1.487 -1.270 1.00 0.00 H new ATOM 0 HB3 ALA A 58 1.829 1.436 -1.530 1.00 0.00 H new ATOM 945 N ARG A 59 3.108 2.828 -3.467 1.00 0.00 N ATOM 946 CA ARG A 59 4.309 3.553 -3.862 1.00 0.00 C ATOM 947 C ARG A 59 4.016 4.501 -5.020 1.00 0.00 C ATOM 948 O ARG A 59 4.373 5.679 -4.978 1.00 0.00 O ATOM 949 CB ARG A 59 5.416 2.574 -4.257 1.00 0.00 C ATOM 950 CG ARG A 59 6.127 1.946 -3.070 1.00 0.00 C ATOM 951 CD ARG A 59 7.055 0.823 -3.506 1.00 0.00 C ATOM 952 NE ARG A 59 8.289 1.331 -4.100 1.00 0.00 N ATOM 953 CZ ARG A 59 9.205 2.011 -3.421 1.00 0.00 C ATOM 954 NH1 ARG A 59 9.029 2.264 -2.132 1.00 0.00 N ATOM 955 NH2 ARG A 59 10.302 2.440 -4.033 1.00 0.00 N ATOM 0 H ARG A 59 3.268 1.854 -3.211 1.00 0.00 H new ATOM 0 HA ARG A 59 4.643 4.143 -3.008 1.00 0.00 H new ATOM 0 HB2 ARG A 59 4.987 1.783 -4.873 1.00 0.00 H new ATOM 0 HB3 ARG A 59 6.148 3.096 -4.873 1.00 0.00 H new ATOM 0 HG2 ARG A 59 6.700 2.709 -2.543 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.390 1.558 -2.367 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.297 0.199 -2.646 1.00 0.00 H new ATOM 0 HD3 ARG A 59 6.541 0.187 -4.227 1.00 0.00 H new ATOM 0 HE ARG A 59 8.456 1.154 -5.090 1.00 0.00 H new ATOM 0 HH11 ARG A 59 8.187 1.936 -1.658 1.00 0.00 H new ATOM 0 HH12 ARG A 59 9.735 2.787 -1.614 1.00 0.00 H new ATOM 0 HH21 ARG A 59 10.441 2.247 -5.025 1.00 0.00 H new ATOM 0 HH22 ARG A 59 11.006 2.962 -3.511 1.00 0.00 H new