USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 539 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 16 LYS NZ :NH3+ -158:sc= 0.874 (180deg=-0.107!) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.489 K(o=0.49,f=-0.024) USER MOD Single : A 24 SER OG : rot 180:sc= -0.149 USER MOD Single : A 27 SER OG : rot -130:sc= -1.98! USER MOD Single : A 37 GLN : amide:sc= -0.134 K(o=-0.13,f=-1.3!) USER MOD Single : A 38 GLN : amide:sc= -0.0261 X(o=-0.026,f=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 CYS SG : rot 131:sc= -0.929 USER MOD Single : A 63 GLN : amide:sc= -0.477 K(o=-0.48,f=-1) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0313 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN :FLIP amide:sc= -1.56 F(o=-6.7!,f=-1.6) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot -7:sc= -4.67! USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc= -0.958 K(o=-0.96,f=-2.6!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 167 N GLY A 15 -3.672 8.013 -5.763 1.00 0.00 N ATOM 168 CA GLY A 15 -3.557 8.207 -4.330 1.00 0.00 C ATOM 169 C GLY A 15 -3.740 6.918 -3.554 1.00 0.00 C ATOM 170 O GLY A 15 -4.502 6.869 -2.588 1.00 0.00 O ATOM 0 HA2 GLY A 15 -2.579 8.630 -4.101 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.302 8.933 -4.004 1.00 0.00 H new ATOM 174 N LYS A 16 -3.042 5.870 -3.977 1.00 0.00 N ATOM 175 CA LYS A 16 -3.131 4.573 -3.316 1.00 0.00 C ATOM 176 C LYS A 16 -1.758 4.111 -2.838 1.00 0.00 C ATOM 177 O LYS A 16 -0.841 3.923 -3.638 1.00 0.00 O ATOM 178 CB LYS A 16 -3.729 3.533 -4.266 1.00 0.00 C ATOM 179 CG LYS A 16 -4.755 4.107 -5.228 1.00 0.00 C ATOM 180 CD LYS A 16 -4.791 3.330 -6.533 1.00 0.00 C ATOM 181 CE LYS A 16 -5.653 4.028 -7.574 1.00 0.00 C ATOM 182 NZ LYS A 16 -5.165 3.775 -8.958 1.00 0.00 N ATOM 0 H LYS A 16 -2.408 5.893 -4.775 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.782 4.679 -2.448 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.925 3.071 -4.839 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.196 2.743 -3.679 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.741 4.087 -4.764 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.520 5.152 -5.432 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.777 3.214 -6.917 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.179 2.328 -6.350 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.683 3.683 -7.483 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -5.658 5.101 -7.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.511 4.525 -9.591 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.125 3.770 -8.964 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -5.518 2.854 -9.288 1.00 0.00 H new ATOM 196 N THR A 17 -1.623 3.928 -1.528 1.00 0.00 N ATOM 197 CA THR A 17 -0.362 3.487 -0.944 1.00 0.00 C ATOM 198 C THR A 17 -0.596 2.468 0.165 1.00 0.00 C ATOM 199 O THR A 17 -1.704 2.349 0.688 1.00 0.00 O ATOM 200 CB THR A 17 0.439 4.674 -0.375 1.00 0.00 C ATOM 201 OG1 THR A 17 0.897 5.512 -1.441 1.00 0.00 O ATOM 202 CG2 THR A 17 1.627 4.184 0.439 1.00 0.00 C ATOM 0 H THR A 17 -2.371 4.078 -0.851 1.00 0.00 H new ATOM 0 HA THR A 17 0.212 3.022 -1.745 1.00 0.00 H new ATOM 0 HB THR A 17 -0.218 5.247 0.279 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.404 6.265 -1.071 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.177 5.039 0.831 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.272 3.571 1.267 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.284 3.590 -0.197 1.00 0.00 H new ATOM 210 N VAL A 18 0.454 1.734 0.520 1.00 0.00 N ATOM 211 CA VAL A 18 0.363 0.726 1.569 1.00 0.00 C ATOM 212 C VAL A 18 1.729 0.448 2.184 1.00 0.00 C ATOM 213 O VAL A 18 2.652 0.005 1.500 1.00 0.00 O ATOM 214 CB VAL A 18 -0.224 -0.593 1.030 1.00 0.00 C ATOM 215 CG1 VAL A 18 -1.502 -0.329 0.250 1.00 0.00 C ATOM 216 CG2 VAL A 18 0.799 -1.316 0.166 1.00 0.00 C ATOM 0 H VAL A 18 1.378 1.819 0.096 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.302 1.125 2.335 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.470 -1.235 1.876 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.902 -1.272 -0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.236 0.144 0.903 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.286 0.331 -0.590 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.369 -2.245 -0.207 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.077 -0.682 -0.676 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.685 -1.539 0.761 1.00 0.00 H new ATOM 226 N PHE A 19 1.852 0.710 3.481 1.00 0.00 N ATOM 227 CA PHE A 19 3.107 0.489 4.190 1.00 0.00 C ATOM 228 C PHE A 19 2.967 -0.644 5.203 1.00 0.00 C ATOM 229 O PHE A 19 2.107 -0.601 6.083 1.00 0.00 O ATOM 230 CB PHE A 19 3.550 1.770 4.899 1.00 0.00 C ATOM 231 CG PHE A 19 4.844 1.624 5.648 1.00 0.00 C ATOM 232 CD1 PHE A 19 5.988 1.186 5.002 1.00 0.00 C ATOM 233 CD2 PHE A 19 4.916 1.926 6.999 1.00 0.00 C ATOM 234 CE1 PHE A 19 7.181 1.051 5.688 1.00 0.00 C ATOM 235 CE2 PHE A 19 6.105 1.793 7.690 1.00 0.00 C ATOM 236 CZ PHE A 19 7.239 1.354 7.034 1.00 0.00 C ATOM 0 H PHE A 19 1.098 1.076 4.062 1.00 0.00 H new ATOM 0 HA PHE A 19 3.864 0.207 3.458 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.654 2.566 4.162 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.770 2.079 5.594 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.948 0.947 3.950 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.033 2.269 7.517 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.066 0.709 5.172 1.00 0.00 H new ATOM 0 HE2 PHE A 19 6.148 2.032 8.742 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.169 1.248 7.573 1.00 0.00 H new ATOM 246 N ILE A 20 3.818 -1.656 5.072 1.00 0.00 N ATOM 247 CA ILE A 20 3.790 -2.799 5.975 1.00 0.00 C ATOM 248 C ILE A 20 4.796 -2.629 7.109 1.00 0.00 C ATOM 249 O ILE A 20 5.898 -2.121 6.903 1.00 0.00 O ATOM 250 CB ILE A 20 4.090 -4.113 5.230 1.00 0.00 C ATOM 251 CG1 ILE A 20 3.326 -4.159 3.905 1.00 0.00 C ATOM 252 CG2 ILE A 20 3.728 -5.309 6.098 1.00 0.00 C ATOM 253 CD1 ILE A 20 4.059 -3.492 2.762 1.00 0.00 C ATOM 0 H ILE A 20 4.535 -1.707 4.349 1.00 0.00 H new ATOM 0 HA ILE A 20 2.783 -2.848 6.390 1.00 0.00 H new ATOM 0 HB ILE A 20 5.158 -4.155 5.014 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.131 -5.199 3.643 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.358 -3.676 4.036 1.00 0.00 H new ATOM 0 HG21 ILE A 20 3.946 -6.230 5.557 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.312 -5.281 7.018 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.666 -5.274 6.342 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.459 -3.562 1.855 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.231 -2.443 3.003 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.016 -3.989 2.604 1.00 0.00 H new ATOM 265 N ARG A 21 4.409 -3.060 8.305 1.00 0.00 N ATOM 266 CA ARG A 21 5.277 -2.956 9.472 1.00 0.00 C ATOM 267 C ARG A 21 5.401 -4.303 10.179 1.00 0.00 C ATOM 268 O ARG A 21 4.528 -5.161 10.057 1.00 0.00 O ATOM 269 CB ARG A 21 4.738 -1.905 10.443 1.00 0.00 C ATOM 270 CG ARG A 21 5.259 -0.503 10.175 1.00 0.00 C ATOM 271 CD ARG A 21 4.562 0.528 11.049 1.00 0.00 C ATOM 272 NE ARG A 21 3.182 0.757 10.631 1.00 0.00 N ATOM 273 CZ ARG A 21 2.371 1.631 11.218 1.00 0.00 C ATOM 274 NH1 ARG A 21 2.801 2.354 12.242 1.00 0.00 N ATOM 275 NH2 ARG A 21 1.128 1.783 10.779 1.00 0.00 N ATOM 0 H ARG A 21 3.500 -3.484 8.491 1.00 0.00 H new ATOM 0 HA ARG A 21 6.267 -2.652 9.132 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.649 -1.896 10.387 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.002 -2.193 11.460 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.333 -0.471 10.360 1.00 0.00 H new ATOM 0 HG3 ARG A 21 5.109 -0.253 9.125 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.576 0.193 12.086 1.00 0.00 H new ATOM 0 HD3 ARG A 21 5.113 1.468 11.011 1.00 0.00 H new ATOM 0 HE ARG A 21 2.820 0.216 9.845 1.00 0.00 H new ATOM 0 HH11 ARG A 21 3.756 2.240 12.581 1.00 0.00 H new ATOM 0 HH12 ARG A 21 2.177 3.024 12.691 1.00 0.00 H new ATOM 0 HH21 ARG A 21 0.794 1.229 9.990 1.00 0.00 H new ATOM 0 HH22 ARG A 21 0.506 2.454 11.230 1.00 0.00 H new ATOM 289 N ASN A 22 6.492 -4.479 10.918 1.00 0.00 N ATOM 290 CA ASN A 22 6.730 -5.722 11.643 1.00 0.00 C ATOM 291 C ASN A 22 6.936 -6.885 10.678 1.00 0.00 C ATOM 292 O ASN A 22 6.365 -7.962 10.856 1.00 0.00 O ATOM 293 CB ASN A 22 5.558 -6.023 12.580 1.00 0.00 C ATOM 294 CG ASN A 22 5.961 -6.904 13.746 1.00 0.00 C ATOM 295 OD1 ASN A 22 6.796 -6.523 14.567 1.00 0.00 O ATOM 296 ND2 ASN A 22 5.368 -8.090 13.824 1.00 0.00 N ATOM 0 H ASN A 22 7.224 -3.778 11.030 1.00 0.00 H new ATOM 0 HA ASN A 22 7.637 -5.600 12.234 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.150 -5.086 12.960 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.763 -6.512 12.017 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.599 -8.726 14.587 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.682 -8.364 13.121 1.00 0.00 H new ATOM 303 N LEU A 23 7.755 -6.661 9.656 1.00 0.00 N ATOM 304 CA LEU A 23 8.037 -7.690 8.662 1.00 0.00 C ATOM 305 C LEU A 23 9.042 -8.705 9.199 1.00 0.00 C ATOM 306 O LEU A 23 9.811 -8.408 10.114 1.00 0.00 O ATOM 307 CB LEU A 23 8.575 -7.054 7.379 1.00 0.00 C ATOM 308 CG LEU A 23 7.542 -6.360 6.490 1.00 0.00 C ATOM 309 CD1 LEU A 23 8.229 -5.468 5.469 1.00 0.00 C ATOM 310 CD2 LEU A 23 6.660 -7.388 5.795 1.00 0.00 C ATOM 0 H LEU A 23 8.235 -5.776 9.494 1.00 0.00 H new ATOM 0 HA LEU A 23 7.105 -8.210 8.440 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.339 -6.326 7.651 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.068 -7.829 6.792 1.00 0.00 H new ATOM 0 HG LEU A 23 6.910 -5.735 7.121 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.478 -4.983 4.846 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.817 -4.709 5.986 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.886 -6.071 4.842 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.931 -6.876 5.167 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.278 -8.039 5.177 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.139 -7.985 6.543 1.00 0.00 H new ATOM 322 N SER A 24 9.030 -9.903 8.624 1.00 0.00 N ATOM 323 CA SER A 24 9.939 -10.962 9.045 1.00 0.00 C ATOM 324 C SER A 24 11.113 -11.088 8.079 1.00 0.00 C ATOM 325 O SER A 24 10.952 -10.946 6.867 1.00 0.00 O ATOM 326 CB SER A 24 9.194 -12.296 9.137 1.00 0.00 C ATOM 327 OG SER A 24 9.995 -13.285 9.761 1.00 0.00 O ATOM 0 H SER A 24 8.401 -10.164 7.865 1.00 0.00 H new ATOM 0 HA SER A 24 10.328 -10.702 10.029 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.271 -12.162 9.701 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.912 -12.629 8.138 1.00 0.00 H new ATOM 0 HG SER A 24 9.496 -14.127 9.809 1.00 0.00 H new ATOM 333 N PHE A 25 12.295 -11.356 8.625 1.00 0.00 N ATOM 334 CA PHE A 25 13.497 -11.500 7.812 1.00 0.00 C ATOM 335 C PHE A 25 13.253 -12.449 6.643 1.00 0.00 C ATOM 336 O PHE A 25 13.754 -12.234 5.540 1.00 0.00 O ATOM 337 CB PHE A 25 14.657 -12.014 8.667 1.00 0.00 C ATOM 338 CG PHE A 25 15.282 -10.954 9.529 1.00 0.00 C ATOM 339 CD1 PHE A 25 16.328 -10.182 9.050 1.00 0.00 C ATOM 340 CD2 PHE A 25 14.824 -10.730 10.817 1.00 0.00 C ATOM 341 CE1 PHE A 25 16.906 -9.206 9.841 1.00 0.00 C ATOM 342 CE2 PHE A 25 15.398 -9.756 11.612 1.00 0.00 C ATOM 343 CZ PHE A 25 16.439 -8.992 11.123 1.00 0.00 C ATOM 0 H PHE A 25 12.446 -11.478 9.626 1.00 0.00 H new ATOM 0 HA PHE A 25 13.755 -10.519 7.413 1.00 0.00 H new ATOM 0 HB2 PHE A 25 14.298 -12.823 9.303 1.00 0.00 H new ATOM 0 HB3 PHE A 25 15.420 -12.436 8.013 1.00 0.00 H new ATOM 0 HD1 PHE A 25 16.696 -10.344 8.048 1.00 0.00 H new ATOM 0 HD2 PHE A 25 14.009 -11.323 11.204 1.00 0.00 H new ATOM 0 HE1 PHE A 25 17.722 -8.612 9.457 1.00 0.00 H new ATOM 0 HE2 PHE A 25 15.033 -9.593 12.615 1.00 0.00 H new ATOM 0 HZ PHE A 25 16.887 -8.229 11.742 1.00 0.00 H new ATOM 353 N ASP A 26 12.479 -13.500 6.894 1.00 0.00 N ATOM 354 CA ASP A 26 12.167 -14.483 5.863 1.00 0.00 C ATOM 355 C ASP A 26 11.418 -13.835 4.703 1.00 0.00 C ATOM 356 O ASP A 26 11.539 -14.263 3.555 1.00 0.00 O ATOM 357 CB ASP A 26 11.335 -15.624 6.450 1.00 0.00 C ATOM 358 CG ASP A 26 10.860 -16.599 5.391 1.00 0.00 C ATOM 359 OD1 ASP A 26 10.068 -16.186 4.518 1.00 0.00 O ATOM 360 OD2 ASP A 26 11.278 -17.775 5.437 1.00 0.00 O ATOM 0 H ASP A 26 12.057 -13.693 7.802 1.00 0.00 H new ATOM 0 HA ASP A 26 13.106 -14.887 5.485 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.929 -16.158 7.191 1.00 0.00 H new ATOM 0 HB3 ASP A 26 10.472 -15.210 6.971 1.00 0.00 H new ATOM 365 N SER A 27 10.642 -12.800 5.011 1.00 0.00 N ATOM 366 CA SER A 27 9.869 -12.096 3.995 1.00 0.00 C ATOM 367 C SER A 27 10.769 -11.623 2.857 1.00 0.00 C ATOM 368 O SER A 27 11.969 -11.427 3.043 1.00 0.00 O ATOM 369 CB SER A 27 9.142 -10.901 4.615 1.00 0.00 C ATOM 370 OG SER A 27 8.145 -10.401 3.741 1.00 0.00 O ATOM 0 H SER A 27 10.532 -12.431 5.956 1.00 0.00 H new ATOM 0 HA SER A 27 9.133 -12.790 3.588 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.686 -11.199 5.559 1.00 0.00 H new ATOM 0 HB3 SER A 27 9.860 -10.113 4.842 1.00 0.00 H new ATOM 0 HG SER A 27 8.246 -9.431 3.650 1.00 0.00 H new ATOM 376 N GLU A 28 10.179 -11.443 1.680 1.00 0.00 N ATOM 377 CA GLU A 28 10.927 -10.995 0.511 1.00 0.00 C ATOM 378 C GLU A 28 10.012 -10.284 -0.481 1.00 0.00 C ATOM 379 O GLU A 28 8.878 -10.705 -0.707 1.00 0.00 O ATOM 380 CB GLU A 28 11.612 -12.182 -0.170 1.00 0.00 C ATOM 381 CG GLU A 28 12.461 -13.018 0.773 1.00 0.00 C ATOM 382 CD GLU A 28 13.347 -14.006 0.040 1.00 0.00 C ATOM 383 OE1 GLU A 28 14.469 -13.621 -0.350 1.00 0.00 O ATOM 384 OE2 GLU A 28 12.918 -15.164 -0.145 1.00 0.00 O ATOM 0 H GLU A 28 9.186 -11.600 1.510 1.00 0.00 H new ATOM 0 HA GLU A 28 11.687 -10.290 0.847 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.852 -12.819 -0.622 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.241 -11.812 -0.980 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.083 -12.358 1.378 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.809 -13.559 1.459 1.00 0.00 H new ATOM 391 N GLU A 29 10.514 -9.203 -1.070 1.00 0.00 N ATOM 392 CA GLU A 29 9.741 -8.432 -2.037 1.00 0.00 C ATOM 393 C GLU A 29 8.840 -9.344 -2.864 1.00 0.00 C ATOM 394 O GLU A 29 7.682 -9.019 -3.124 1.00 0.00 O ATOM 395 CB GLU A 29 10.675 -7.646 -2.960 1.00 0.00 C ATOM 396 CG GLU A 29 10.051 -6.381 -3.523 1.00 0.00 C ATOM 397 CD GLU A 29 11.017 -5.583 -4.376 1.00 0.00 C ATOM 398 OE1 GLU A 29 11.861 -4.863 -3.803 1.00 0.00 O ATOM 399 OE2 GLU A 29 10.930 -5.680 -5.619 1.00 0.00 O ATOM 0 H GLU A 29 11.452 -8.842 -0.895 1.00 0.00 H new ATOM 0 HA GLU A 29 9.113 -7.732 -1.486 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.578 -7.382 -2.410 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.981 -8.288 -3.786 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.178 -6.646 -4.120 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.698 -5.758 -2.701 1.00 0.00 H new ATOM 406 N GLU A 30 9.381 -10.487 -3.275 1.00 0.00 N ATOM 407 CA GLU A 30 8.627 -11.446 -4.074 1.00 0.00 C ATOM 408 C GLU A 30 7.430 -11.982 -3.293 1.00 0.00 C ATOM 409 O GLU A 30 6.290 -11.900 -3.750 1.00 0.00 O ATOM 410 CB GLU A 30 9.528 -12.604 -4.506 1.00 0.00 C ATOM 411 CG GLU A 30 10.245 -13.282 -3.351 1.00 0.00 C ATOM 412 CD GLU A 30 11.391 -14.161 -3.811 1.00 0.00 C ATOM 413 OE1 GLU A 30 11.147 -15.351 -4.101 1.00 0.00 O ATOM 414 OE2 GLU A 30 12.533 -13.659 -3.881 1.00 0.00 O ATOM 0 H GLU A 30 10.338 -10.771 -3.068 1.00 0.00 H new ATOM 0 HA GLU A 30 8.259 -10.931 -4.962 1.00 0.00 H new ATOM 0 HB2 GLU A 30 8.926 -13.344 -5.033 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.269 -12.232 -5.214 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.626 -12.522 -2.669 1.00 0.00 H new ATOM 0 HG3 GLU A 30 9.532 -13.886 -2.790 1.00 0.00 H new ATOM 421 N ALA A 31 7.699 -12.531 -2.113 1.00 0.00 N ATOM 422 CA ALA A 31 6.645 -13.079 -1.268 1.00 0.00 C ATOM 423 C ALA A 31 5.722 -11.978 -0.757 1.00 0.00 C ATOM 424 O ALA A 31 4.509 -12.025 -0.963 1.00 0.00 O ATOM 425 CB ALA A 31 7.250 -13.847 -0.102 1.00 0.00 C ATOM 0 H ALA A 31 8.637 -12.608 -1.721 1.00 0.00 H new ATOM 0 HA ALA A 31 6.050 -13.765 -1.871 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.452 -14.251 0.521 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.862 -14.665 -0.483 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.870 -13.176 0.493 1.00 0.00 H new ATOM 431 N LEU A 32 6.304 -10.988 -0.089 1.00 0.00 N ATOM 432 CA LEU A 32 5.533 -9.874 0.452 1.00 0.00 C ATOM 433 C LEU A 32 4.498 -9.386 -0.557 1.00 0.00 C ATOM 434 O LEU A 32 3.316 -9.261 -0.239 1.00 0.00 O ATOM 435 CB LEU A 32 6.464 -8.725 0.842 1.00 0.00 C ATOM 436 CG LEU A 32 5.801 -7.519 1.509 1.00 0.00 C ATOM 437 CD1 LEU A 32 6.852 -6.547 2.021 1.00 0.00 C ATOM 438 CD2 LEU A 32 4.857 -6.825 0.538 1.00 0.00 C ATOM 0 H LEU A 32 7.307 -10.934 0.091 1.00 0.00 H new ATOM 0 HA LEU A 32 5.008 -10.226 1.340 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.226 -9.115 1.517 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.979 -8.381 -0.055 1.00 0.00 H new ATOM 0 HG LEU A 32 5.219 -7.873 2.360 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.361 -5.695 2.492 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.487 -7.049 2.751 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.462 -6.199 1.188 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.394 -5.969 1.029 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.417 -6.484 -0.333 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.083 -7.524 0.221 1.00 0.00 H new ATOM 450 N GLY A 33 4.952 -9.113 -1.777 1.00 0.00 N ATOM 451 CA GLY A 33 4.053 -8.644 -2.815 1.00 0.00 C ATOM 452 C GLY A 33 2.993 -9.667 -3.170 1.00 0.00 C ATOM 453 O GLY A 33 1.798 -9.388 -3.084 1.00 0.00 O ATOM 0 H GLY A 33 5.926 -9.208 -2.064 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.570 -7.725 -2.485 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.630 -8.398 -3.707 1.00 0.00 H new ATOM 457 N GLU A 34 3.432 -10.856 -3.572 1.00 0.00 N ATOM 458 CA GLU A 34 2.511 -11.924 -3.944 1.00 0.00 C ATOM 459 C GLU A 34 1.372 -12.037 -2.934 1.00 0.00 C ATOM 460 O GLU A 34 0.295 -12.542 -3.251 1.00 0.00 O ATOM 461 CB GLU A 34 3.255 -13.258 -4.042 1.00 0.00 C ATOM 462 CG GLU A 34 3.958 -13.467 -5.372 1.00 0.00 C ATOM 463 CD GLU A 34 2.988 -13.590 -6.531 1.00 0.00 C ATOM 464 OE1 GLU A 34 1.970 -14.298 -6.381 1.00 0.00 O ATOM 465 OE2 GLU A 34 3.247 -12.978 -7.589 1.00 0.00 O ATOM 0 H GLU A 34 4.419 -11.104 -3.648 1.00 0.00 H new ATOM 0 HA GLU A 34 2.087 -11.680 -4.918 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.990 -13.314 -3.239 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.547 -14.072 -3.883 1.00 0.00 H new ATOM 0 HG2 GLU A 34 4.635 -12.633 -5.556 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.570 -14.367 -5.318 1.00 0.00 H new ATOM 472 N VAL A 35 1.619 -11.562 -1.717 1.00 0.00 N ATOM 473 CA VAL A 35 0.615 -11.608 -0.661 1.00 0.00 C ATOM 474 C VAL A 35 -0.444 -10.530 -0.862 1.00 0.00 C ATOM 475 O VAL A 35 -1.643 -10.812 -0.844 1.00 0.00 O ATOM 476 CB VAL A 35 1.255 -11.432 0.729 1.00 0.00 C ATOM 477 CG1 VAL A 35 0.185 -11.399 1.809 1.00 0.00 C ATOM 478 CG2 VAL A 35 2.261 -12.541 0.997 1.00 0.00 C ATOM 0 H VAL A 35 2.505 -11.141 -1.438 1.00 0.00 H new ATOM 0 HA VAL A 35 0.144 -12.589 -0.714 1.00 0.00 H new ATOM 0 HB VAL A 35 1.785 -10.480 0.748 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.656 -11.274 2.784 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.493 -10.566 1.624 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.376 -12.333 1.794 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.703 -12.401 1.983 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.757 -13.507 0.960 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.045 -12.512 0.240 1.00 0.00 H new ATOM 488 N LEU A 36 0.006 -9.295 -1.052 1.00 0.00 N ATOM 489 CA LEU A 36 -0.903 -8.173 -1.257 1.00 0.00 C ATOM 490 C LEU A 36 -1.612 -8.285 -2.603 1.00 0.00 C ATOM 491 O LEU A 36 -2.768 -7.886 -2.741 1.00 0.00 O ATOM 492 CB LEU A 36 -0.138 -6.850 -1.179 1.00 0.00 C ATOM 493 CG LEU A 36 0.752 -6.662 0.050 1.00 0.00 C ATOM 494 CD1 LEU A 36 1.583 -5.395 -0.083 1.00 0.00 C ATOM 495 CD2 LEU A 36 -0.090 -6.619 1.317 1.00 0.00 C ATOM 0 H LEU A 36 0.995 -9.045 -1.068 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.655 -8.198 -0.468 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.483 -6.759 -2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.860 -6.034 -1.209 1.00 0.00 H new ATOM 0 HG LEU A 36 1.430 -7.512 0.118 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.210 -5.277 0.800 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.214 -5.465 -0.969 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.921 -4.534 -0.176 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.560 -6.485 2.182 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.793 -5.788 1.259 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.641 -7.554 1.419 1.00 0.00 H new ATOM 507 N GLN A 37 -0.911 -8.831 -3.592 1.00 0.00 N ATOM 508 CA GLN A 37 -1.474 -8.997 -4.926 1.00 0.00 C ATOM 509 C GLN A 37 -2.839 -9.673 -4.861 1.00 0.00 C ATOM 510 O GLN A 37 -3.695 -9.446 -5.715 1.00 0.00 O ATOM 511 CB GLN A 37 -0.527 -9.817 -5.804 1.00 0.00 C ATOM 512 CG GLN A 37 0.718 -9.056 -6.232 1.00 0.00 C ATOM 513 CD GLN A 37 1.280 -9.550 -7.550 1.00 0.00 C ATOM 514 OE1 GLN A 37 0.535 -9.965 -8.439 1.00 0.00 O ATOM 515 NE2 GLN A 37 2.600 -9.509 -7.685 1.00 0.00 N ATOM 0 H GLN A 37 0.048 -9.166 -3.494 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.600 -8.007 -5.365 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.226 -10.713 -5.261 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.064 -10.148 -6.693 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.480 -7.996 -6.318 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.480 -9.150 -5.459 1.00 0.00 H new ATOM 0 HE21 GLN A 37 3.180 -9.158 -6.923 1.00 0.00 H new ATOM 0 HE22 GLN A 37 3.034 -9.829 -8.551 1.00 0.00 H new ATOM 524 N GLN A 38 -3.034 -10.504 -3.843 1.00 0.00 N ATOM 525 CA GLN A 38 -4.296 -11.214 -3.667 1.00 0.00 C ATOM 526 C GLN A 38 -5.476 -10.250 -3.726 1.00 0.00 C ATOM 527 O GLN A 38 -6.464 -10.503 -4.415 1.00 0.00 O ATOM 528 CB GLN A 38 -4.302 -11.965 -2.335 1.00 0.00 C ATOM 529 CG GLN A 38 -4.693 -11.098 -1.149 1.00 0.00 C ATOM 530 CD GLN A 38 -4.735 -11.874 0.152 1.00 0.00 C ATOM 531 OE1 GLN A 38 -5.730 -11.840 0.877 1.00 0.00 O ATOM 532 NE2 GLN A 38 -3.652 -12.580 0.457 1.00 0.00 N ATOM 0 H GLN A 38 -2.335 -10.703 -3.127 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.396 -11.932 -4.481 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.994 -12.805 -2.404 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.311 -12.382 -2.158 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.983 -10.276 -1.055 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.671 -10.654 -1.335 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.849 -12.580 -0.172 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.623 -13.122 1.321 1.00 0.00 H new ATOM 541 N PHE A 39 -5.366 -9.143 -2.999 1.00 0.00 N ATOM 542 CA PHE A 39 -6.425 -8.141 -2.967 1.00 0.00 C ATOM 543 C PHE A 39 -6.576 -7.466 -4.327 1.00 0.00 C ATOM 544 O PHE A 39 -7.677 -7.376 -4.869 1.00 0.00 O ATOM 545 CB PHE A 39 -6.130 -7.090 -1.894 1.00 0.00 C ATOM 546 CG PHE A 39 -5.982 -7.667 -0.515 1.00 0.00 C ATOM 547 CD1 PHE A 39 -7.091 -7.856 0.294 1.00 0.00 C ATOM 548 CD2 PHE A 39 -4.734 -8.020 -0.028 1.00 0.00 C ATOM 549 CE1 PHE A 39 -6.958 -8.387 1.563 1.00 0.00 C ATOM 550 CE2 PHE A 39 -4.595 -8.551 1.240 1.00 0.00 C ATOM 551 CZ PHE A 39 -5.708 -8.734 2.037 1.00 0.00 C ATOM 0 H PHE A 39 -4.554 -8.917 -2.424 1.00 0.00 H new ATOM 0 HA PHE A 39 -7.361 -8.645 -2.725 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.215 -6.560 -2.158 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -6.934 -6.354 -1.887 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -8.071 -7.585 -0.071 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -3.860 -7.879 -0.646 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -7.830 -8.530 2.183 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.617 -8.823 1.608 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.601 -9.148 3.029 1.00 0.00 H new ATOM 561 N GLY A 40 -5.460 -6.992 -4.874 1.00 0.00 N ATOM 562 CA GLY A 40 -5.489 -6.331 -6.165 1.00 0.00 C ATOM 563 C GLY A 40 -4.114 -6.226 -6.794 1.00 0.00 C ATOM 564 O GLY A 40 -3.109 -6.557 -6.164 1.00 0.00 O ATOM 0 H GLY A 40 -4.537 -7.054 -4.445 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.151 -6.879 -6.835 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.909 -5.332 -6.049 1.00 0.00 H new ATOM 568 N ASP A 41 -4.068 -5.766 -8.039 1.00 0.00 N ATOM 569 CA ASP A 41 -2.806 -5.619 -8.754 1.00 0.00 C ATOM 570 C ASP A 41 -1.897 -4.616 -8.051 1.00 0.00 C ATOM 571 O ASP A 41 -2.330 -3.526 -7.676 1.00 0.00 O ATOM 572 CB ASP A 41 -3.060 -5.173 -10.195 1.00 0.00 C ATOM 573 CG ASP A 41 -4.196 -5.938 -10.846 1.00 0.00 C ATOM 574 OD1 ASP A 41 -5.360 -5.510 -10.698 1.00 0.00 O ATOM 575 OD2 ASP A 41 -3.920 -6.963 -11.503 1.00 0.00 O ATOM 0 H ASP A 41 -4.891 -5.488 -8.574 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.308 -6.589 -8.765 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.289 -4.107 -10.207 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.151 -5.310 -10.780 1.00 0.00 H new ATOM 580 N LEU A 42 -0.635 -4.991 -7.875 1.00 0.00 N ATOM 581 CA LEU A 42 0.336 -4.125 -7.215 1.00 0.00 C ATOM 582 C LEU A 42 1.163 -3.354 -8.240 1.00 0.00 C ATOM 583 O LEU A 42 1.822 -3.947 -9.094 1.00 0.00 O ATOM 584 CB LEU A 42 1.258 -4.950 -6.316 1.00 0.00 C ATOM 585 CG LEU A 42 0.676 -5.375 -4.967 1.00 0.00 C ATOM 586 CD1 LEU A 42 1.445 -6.560 -4.404 1.00 0.00 C ATOM 587 CD2 LEU A 42 0.696 -4.210 -3.988 1.00 0.00 C ATOM 0 H LEU A 42 -0.260 -5.889 -8.180 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.211 -3.408 -6.603 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.555 -5.847 -6.860 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.165 -4.373 -6.133 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.360 -5.679 -5.118 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.017 -6.849 -3.444 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.380 -7.399 -5.097 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.490 -6.283 -4.267 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.278 -4.530 -3.033 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.723 -3.876 -3.841 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.101 -3.389 -4.387 1.00 0.00 H new ATOM 599 N LYS A 43 1.124 -2.029 -8.147 1.00 0.00 N ATOM 600 CA LYS A 43 1.872 -1.176 -9.063 1.00 0.00 C ATOM 601 C LYS A 43 3.374 -1.361 -8.876 1.00 0.00 C ATOM 602 O LYS A 43 4.116 -1.515 -9.847 1.00 0.00 O ATOM 603 CB LYS A 43 1.498 0.292 -8.846 1.00 0.00 C ATOM 604 CG LYS A 43 2.368 1.264 -9.624 1.00 0.00 C ATOM 605 CD LYS A 43 1.865 1.446 -11.046 1.00 0.00 C ATOM 606 CE LYS A 43 2.803 2.323 -11.861 1.00 0.00 C ATOM 607 NZ LYS A 43 2.708 3.756 -11.464 1.00 0.00 N ATOM 0 H LYS A 43 0.582 -1.523 -7.447 1.00 0.00 H new ATOM 0 HA LYS A 43 1.612 -1.465 -10.082 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.457 0.439 -9.134 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.571 0.523 -7.783 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.382 2.228 -9.116 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.395 0.899 -9.644 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.767 0.472 -11.526 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.871 1.894 -11.027 1.00 0.00 H new ATOM 0 HE2 LYS A 43 3.828 1.977 -11.731 1.00 0.00 H new ATOM 0 HE3 LYS A 43 2.565 2.223 -12.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 3.362 4.321 -12.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.736 4.094 -11.612 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 2.960 3.855 -10.460 1.00 0.00 H new ATOM 621 N TYR A 44 3.816 -1.348 -7.623 1.00 0.00 N ATOM 622 CA TYR A 44 5.230 -1.514 -7.309 1.00 0.00 C ATOM 623 C TYR A 44 5.420 -1.920 -5.851 1.00 0.00 C ATOM 624 O TYR A 44 4.840 -1.320 -4.946 1.00 0.00 O ATOM 625 CB TYR A 44 5.992 -0.218 -7.593 1.00 0.00 C ATOM 626 CG TYR A 44 6.064 0.714 -6.405 1.00 0.00 C ATOM 627 CD1 TYR A 44 7.061 0.575 -5.447 1.00 0.00 C ATOM 628 CD2 TYR A 44 5.135 1.734 -6.240 1.00 0.00 C ATOM 629 CE1 TYR A 44 7.130 1.424 -4.360 1.00 0.00 C ATOM 630 CE2 TYR A 44 5.198 2.589 -5.157 1.00 0.00 C ATOM 631 CZ TYR A 44 6.197 2.430 -4.219 1.00 0.00 C ATOM 632 OH TYR A 44 6.262 3.278 -3.138 1.00 0.00 O ATOM 0 H TYR A 44 3.215 -1.224 -6.808 1.00 0.00 H new ATOM 0 HA TYR A 44 5.627 -2.307 -7.943 1.00 0.00 H new ATOM 0 HB2 TYR A 44 7.004 -0.464 -7.913 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.513 0.301 -8.423 1.00 0.00 H new ATOM 0 HD1 TYR A 44 7.794 -0.210 -5.554 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.350 1.860 -6.971 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.911 1.301 -3.624 1.00 0.00 H new ATOM 0 HE2 TYR A 44 4.469 3.378 -5.045 1.00 0.00 H new ATOM 0 HH TYR A 44 5.532 3.930 -3.190 1.00 0.00 H new ATOM 642 N VAL A 45 6.238 -2.945 -5.631 1.00 0.00 N ATOM 643 CA VAL A 45 6.508 -3.432 -4.284 1.00 0.00 C ATOM 644 C VAL A 45 7.994 -3.347 -3.956 1.00 0.00 C ATOM 645 O VAL A 45 8.804 -4.099 -4.499 1.00 0.00 O ATOM 646 CB VAL A 45 6.037 -4.888 -4.109 1.00 0.00 C ATOM 647 CG1 VAL A 45 6.367 -5.708 -5.347 1.00 0.00 C ATOM 648 CG2 VAL A 45 6.664 -5.505 -2.868 1.00 0.00 C ATOM 0 H VAL A 45 6.725 -3.454 -6.369 1.00 0.00 H new ATOM 0 HA VAL A 45 5.951 -2.793 -3.599 1.00 0.00 H new ATOM 0 HB VAL A 45 4.955 -4.889 -3.980 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.027 -6.734 -5.205 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.866 -5.276 -6.214 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.445 -5.702 -5.511 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.320 -6.534 -2.760 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.750 -5.493 -2.965 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.372 -4.931 -1.989 1.00 0.00 H new ATOM 658 N ARG A 46 8.347 -2.427 -3.064 1.00 0.00 N ATOM 659 CA ARG A 46 9.736 -2.244 -2.664 1.00 0.00 C ATOM 660 C ARG A 46 9.897 -2.427 -1.158 1.00 0.00 C ATOM 661 O ARG A 46 9.102 -1.914 -0.371 1.00 0.00 O ATOM 662 CB ARG A 46 10.228 -0.855 -3.075 1.00 0.00 C ATOM 663 CG ARG A 46 11.716 -0.802 -3.383 1.00 0.00 C ATOM 664 CD ARG A 46 11.992 -1.085 -4.851 1.00 0.00 C ATOM 665 NE ARG A 46 11.989 0.135 -5.654 1.00 0.00 N ATOM 666 CZ ARG A 46 12.300 0.166 -6.945 1.00 0.00 C ATOM 667 NH1 ARG A 46 12.636 -0.951 -7.576 1.00 0.00 N ATOM 668 NH2 ARG A 46 12.274 1.315 -7.608 1.00 0.00 N ATOM 0 H ARG A 46 7.689 -1.797 -2.605 1.00 0.00 H new ATOM 0 HA ARG A 46 10.336 -3.000 -3.171 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.672 -0.527 -3.953 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.006 -0.149 -2.275 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.108 0.181 -3.121 1.00 0.00 H new ATOM 0 HG3 ARG A 46 12.242 -1.530 -2.766 1.00 0.00 H new ATOM 0 HD2 ARG A 46 12.958 -1.581 -4.949 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.239 -1.774 -5.235 1.00 0.00 H new ATOM 0 HE ARG A 46 11.734 1.011 -5.198 1.00 0.00 H new ATOM 0 HH11 ARG A 46 12.656 -1.836 -7.070 1.00 0.00 H new ATOM 0 HH12 ARG A 46 12.874 -0.925 -8.567 1.00 0.00 H new ATOM 0 HH21 ARG A 46 12.015 2.176 -7.126 1.00 0.00 H new ATOM 0 HH22 ARG A 46 12.513 1.337 -8.599 1.00 0.00 H new ATOM 682 N VAL A 47 10.932 -3.162 -0.764 1.00 0.00 N ATOM 683 CA VAL A 47 11.198 -3.412 0.648 1.00 0.00 C ATOM 684 C VAL A 47 12.541 -2.824 1.067 1.00 0.00 C ATOM 685 O VAL A 47 13.594 -3.257 0.599 1.00 0.00 O ATOM 686 CB VAL A 47 11.191 -4.920 0.961 1.00 0.00 C ATOM 687 CG1 VAL A 47 12.013 -5.683 -0.066 1.00 0.00 C ATOM 688 CG2 VAL A 47 11.712 -5.174 2.368 1.00 0.00 C ATOM 0 H VAL A 47 11.600 -3.595 -1.402 1.00 0.00 H new ATOM 0 HA VAL A 47 10.401 -2.927 1.211 1.00 0.00 H new ATOM 0 HB VAL A 47 10.163 -5.280 0.908 1.00 0.00 H new ATOM 0 HG11 VAL A 47 11.996 -6.747 0.172 1.00 0.00 H new ATOM 0 HG12 VAL A 47 11.591 -5.526 -1.059 1.00 0.00 H new ATOM 0 HG13 VAL A 47 13.042 -5.324 -0.048 1.00 0.00 H new ATOM 0 HG21 VAL A 47 11.700 -6.245 2.573 1.00 0.00 H new ATOM 0 HG22 VAL A 47 12.732 -4.800 2.451 1.00 0.00 H new ATOM 0 HG23 VAL A 47 11.077 -4.660 3.089 1.00 0.00 H new ATOM 698 N VAL A 48 12.496 -1.834 1.953 1.00 0.00 N ATOM 699 CA VAL A 48 13.709 -1.186 2.437 1.00 0.00 C ATOM 700 C VAL A 48 14.624 -2.185 3.137 1.00 0.00 C ATOM 701 O VAL A 48 14.183 -2.953 3.994 1.00 0.00 O ATOM 702 CB VAL A 48 13.382 -0.038 3.410 1.00 0.00 C ATOM 703 CG1 VAL A 48 12.664 -0.569 4.642 1.00 0.00 C ATOM 704 CG2 VAL A 48 14.650 0.706 3.801 1.00 0.00 C ATOM 0 H VAL A 48 11.633 -1.463 2.350 1.00 0.00 H new ATOM 0 HA VAL A 48 14.220 -0.779 1.564 1.00 0.00 H new ATOM 0 HB VAL A 48 12.717 0.663 2.906 1.00 0.00 H new ATOM 0 HG11 VAL A 48 12.441 0.257 5.318 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.735 -1.052 4.341 1.00 0.00 H new ATOM 0 HG13 VAL A 48 13.301 -1.292 5.151 1.00 0.00 H new ATOM 0 HG21 VAL A 48 14.400 1.514 4.489 1.00 0.00 H new ATOM 0 HG22 VAL A 48 15.341 0.017 4.286 1.00 0.00 H new ATOM 0 HG23 VAL A 48 15.118 1.121 2.908 1.00 0.00 H new ATOM 857 N GLY A 58 12.575 -4.371 8.426 1.00 0.00 N ATOM 858 CA GLY A 58 11.392 -4.723 9.189 1.00 0.00 C ATOM 859 C GLY A 58 10.143 -4.039 8.670 1.00 0.00 C ATOM 860 O GLY A 58 9.115 -4.012 9.348 1.00 0.00 O ATOM 0 HA2 GLY A 58 11.251 -5.803 9.157 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.543 -4.452 10.234 1.00 0.00 H new ATOM 864 N CYS A 59 10.231 -3.484 7.466 1.00 0.00 N ATOM 865 CA CYS A 59 9.099 -2.794 6.858 1.00 0.00 C ATOM 866 C CYS A 59 9.267 -2.704 5.345 1.00 0.00 C ATOM 867 O CYS A 59 10.348 -2.957 4.814 1.00 0.00 O ATOM 868 CB CYS A 59 8.950 -1.393 7.451 1.00 0.00 C ATOM 869 SG CYS A 59 10.206 -0.218 6.893 1.00 0.00 S ATOM 0 H CYS A 59 11.074 -3.498 6.892 1.00 0.00 H new ATOM 0 HA CYS A 59 8.198 -3.368 7.072 1.00 0.00 H new ATOM 0 HB2 CYS A 59 7.965 -1.004 7.194 1.00 0.00 H new ATOM 0 HB3 CYS A 59 8.991 -1.464 8.538 1.00 0.00 H new ATOM 0 HG CYS A 59 9.630 0.880 6.501 1.00 0.00 H new ATOM 875 N ALA A 60 8.189 -2.343 4.655 1.00 0.00 N ATOM 876 CA ALA A 60 8.217 -2.219 3.203 1.00 0.00 C ATOM 877 C ALA A 60 7.079 -1.335 2.706 1.00 0.00 C ATOM 878 O ALA A 60 6.063 -1.174 3.383 1.00 0.00 O ATOM 879 CB ALA A 60 8.142 -3.594 2.555 1.00 0.00 C ATOM 0 H ALA A 60 7.286 -2.131 5.079 1.00 0.00 H new ATOM 0 HA ALA A 60 9.158 -1.747 2.921 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.164 -3.487 1.471 1.00 0.00 H new ATOM 0 HB2 ALA A 60 8.992 -4.195 2.877 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.216 -4.086 2.852 1.00 0.00 H new ATOM 885 N PHE A 61 7.255 -0.763 1.519 1.00 0.00 N ATOM 886 CA PHE A 61 6.243 0.107 0.932 1.00 0.00 C ATOM 887 C PHE A 61 5.761 -0.446 -0.406 1.00 0.00 C ATOM 888 O PHE A 61 6.562 -0.863 -1.242 1.00 0.00 O ATOM 889 CB PHE A 61 6.802 1.519 0.742 1.00 0.00 C ATOM 890 CG PHE A 61 7.323 2.133 2.010 1.00 0.00 C ATOM 891 CD1 PHE A 61 8.622 1.892 2.428 1.00 0.00 C ATOM 892 CD2 PHE A 61 6.515 2.951 2.783 1.00 0.00 C ATOM 893 CE1 PHE A 61 9.104 2.455 3.595 1.00 0.00 C ATOM 894 CE2 PHE A 61 6.992 3.517 3.950 1.00 0.00 C ATOM 895 CZ PHE A 61 8.289 3.269 4.356 1.00 0.00 C ATOM 0 H PHE A 61 8.089 -0.887 0.945 1.00 0.00 H new ATOM 0 HA PHE A 61 5.394 0.149 1.615 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.606 1.487 0.006 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.020 2.159 0.332 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.265 1.258 1.836 1.00 0.00 H new ATOM 0 HD2 PHE A 61 5.500 3.149 2.470 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.118 2.258 3.911 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.352 4.152 4.544 1.00 0.00 H new ATOM 0 HZ PHE A 61 8.665 3.711 5.267 1.00 0.00 H new ATOM 905 N ALA A 62 4.447 -0.445 -0.601 1.00 0.00 N ATOM 906 CA ALA A 62 3.857 -0.945 -1.837 1.00 0.00 C ATOM 907 C ALA A 62 2.772 -0.002 -2.348 1.00 0.00 C ATOM 908 O ALA A 62 2.342 0.906 -1.637 1.00 0.00 O ATOM 909 CB ALA A 62 3.289 -2.340 -1.625 1.00 0.00 C ATOM 0 H ALA A 62 3.770 -0.103 0.081 1.00 0.00 H new ATOM 0 HA ALA A 62 4.643 -0.996 -2.591 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.852 -2.700 -2.556 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.087 -3.014 -1.314 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.521 -2.306 -0.853 1.00 0.00 H new ATOM 915 N GLN A 63 2.336 -0.224 -3.583 1.00 0.00 N ATOM 916 CA GLN A 63 1.302 0.607 -4.189 1.00 0.00 C ATOM 917 C GLN A 63 0.311 -0.244 -4.976 1.00 0.00 C ATOM 918 O GLN A 63 0.702 -1.150 -5.712 1.00 0.00 O ATOM 919 CB GLN A 63 1.934 1.655 -5.106 1.00 0.00 C ATOM 920 CG GLN A 63 0.968 2.748 -5.536 1.00 0.00 C ATOM 921 CD GLN A 63 1.315 3.334 -6.891 1.00 0.00 C ATOM 922 OE1 GLN A 63 0.559 3.195 -7.852 1.00 0.00 O ATOM 923 NE2 GLN A 63 2.465 3.993 -6.974 1.00 0.00 N ATOM 0 H GLN A 63 2.682 -0.972 -4.184 1.00 0.00 H new ATOM 0 HA GLN A 63 0.762 1.113 -3.389 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.781 2.111 -4.593 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.328 1.159 -5.993 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.043 2.342 -5.568 1.00 0.00 H new ATOM 0 HG3 GLN A 63 0.969 3.543 -4.790 1.00 0.00 H new ATOM 0 HE21 GLN A 63 3.061 4.084 -6.151 1.00 0.00 H new ATOM 0 HE22 GLN A 63 2.752 4.408 -7.860 1.00 0.00 H new ATOM 932 N PHE A 64 -0.974 0.053 -4.815 1.00 0.00 N ATOM 933 CA PHE A 64 -2.022 -0.686 -5.510 1.00 0.00 C ATOM 934 C PHE A 64 -2.447 0.040 -6.783 1.00 0.00 C ATOM 935 O PHE A 64 -2.061 1.185 -7.016 1.00 0.00 O ATOM 936 CB PHE A 64 -3.232 -0.881 -4.593 1.00 0.00 C ATOM 937 CG PHE A 64 -3.153 -2.123 -3.753 1.00 0.00 C ATOM 938 CD1 PHE A 64 -3.570 -3.344 -4.257 1.00 0.00 C ATOM 939 CD2 PHE A 64 -2.661 -2.069 -2.458 1.00 0.00 C ATOM 940 CE1 PHE A 64 -3.498 -4.489 -3.486 1.00 0.00 C ATOM 941 CE2 PHE A 64 -2.586 -3.211 -1.683 1.00 0.00 C ATOM 942 CZ PHE A 64 -3.007 -4.422 -2.197 1.00 0.00 C ATOM 0 H PHE A 64 -1.315 0.800 -4.210 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.622 -1.662 -5.785 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.325 -0.014 -3.938 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -4.136 -0.920 -5.201 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -3.956 -3.402 -5.264 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -2.333 -1.124 -2.050 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -3.825 -5.435 -3.891 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -2.199 -3.157 -0.676 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.952 -5.315 -1.592 1.00 0.00 H new ATOM 952 N MET A 65 -3.244 -0.636 -7.605 1.00 0.00 N ATOM 953 CA MET A 65 -3.722 -0.055 -8.854 1.00 0.00 C ATOM 954 C MET A 65 -5.085 0.601 -8.662 1.00 0.00 C ATOM 955 O MET A 65 -5.540 1.372 -9.509 1.00 0.00 O ATOM 956 CB MET A 65 -3.808 -1.129 -9.940 1.00 0.00 C ATOM 957 CG MET A 65 -2.453 -1.655 -10.384 1.00 0.00 C ATOM 958 SD MET A 65 -2.445 -2.189 -12.106 1.00 0.00 S ATOM 959 CE MET A 65 -1.710 -0.762 -12.900 1.00 0.00 C ATOM 0 H MET A 65 -3.572 -1.586 -7.428 1.00 0.00 H new ATOM 0 HA MET A 65 -3.011 0.711 -9.165 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.408 -1.961 -9.570 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.330 -0.719 -10.804 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.702 -0.877 -10.246 1.00 0.00 H new ATOM 0 HG3 MET A 65 -2.166 -2.492 -9.747 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.637 -0.940 -13.973 1.00 0.00 H new ATOM 0 HE2 MET A 65 -2.331 0.115 -12.719 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.714 -0.592 -12.492 1.00 0.00 H new ATOM 969 N THR A 66 -5.735 0.291 -7.544 1.00 0.00 N ATOM 970 CA THR A 66 -7.047 0.849 -7.243 1.00 0.00 C ATOM 971 C THR A 66 -7.171 1.191 -5.762 1.00 0.00 C ATOM 972 O THR A 66 -6.722 0.434 -4.902 1.00 0.00 O ATOM 973 CB THR A 66 -8.175 -0.126 -7.629 1.00 0.00 C ATOM 974 OG1 THR A 66 -8.113 -1.297 -6.808 1.00 0.00 O ATOM 975 CG2 THR A 66 -8.069 -0.522 -9.094 1.00 0.00 C ATOM 0 H THR A 66 -5.373 -0.344 -6.832 1.00 0.00 H new ATOM 0 HA THR A 66 -7.147 1.759 -7.834 1.00 0.00 H new ATOM 0 HB THR A 66 -9.129 0.377 -7.472 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.835 -1.911 -7.059 1.00 0.00 H new ATOM 0 HG21 THR A 66 -8.876 -1.211 -9.344 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.146 0.368 -9.718 1.00 0.00 H new ATOM 0 HG23 THR A 66 -7.109 -1.008 -9.271 1.00 0.00 H new ATOM 983 N GLN A 67 -7.784 2.334 -5.473 1.00 0.00 N ATOM 984 CA GLN A 67 -7.967 2.775 -4.096 1.00 0.00 C ATOM 985 C GLN A 67 -8.638 1.689 -3.261 1.00 0.00 C ATOM 986 O GLN A 67 -8.207 1.396 -2.147 1.00 0.00 O ATOM 987 CB GLN A 67 -8.803 4.056 -4.055 1.00 0.00 C ATOM 988 CG GLN A 67 -7.973 5.327 -4.134 1.00 0.00 C ATOM 989 CD GLN A 67 -8.826 6.573 -4.274 1.00 0.00 C ATOM 990 OE1 GLN A 67 -9.454 6.796 -5.310 1.00 0.00 O ATOM 991 NE2 GLN A 67 -8.852 7.393 -3.230 1.00 0.00 N ATOM 0 H GLN A 67 -8.162 2.971 -6.174 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.983 2.978 -3.672 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.513 4.043 -4.882 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.387 4.070 -3.135 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -7.358 5.411 -3.238 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.292 5.260 -4.983 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -8.316 7.168 -2.392 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.408 8.247 -3.266 1.00 0.00 H new ATOM 1000 N GLU A 68 -9.695 1.097 -3.808 1.00 0.00 N ATOM 1001 CA GLU A 68 -10.425 0.044 -3.112 1.00 0.00 C ATOM 1002 C GLU A 68 -9.477 -1.052 -2.637 1.00 0.00 C ATOM 1003 O GLU A 68 -9.668 -1.631 -1.568 1.00 0.00 O ATOM 1004 CB GLU A 68 -11.497 -0.554 -4.027 1.00 0.00 C ATOM 1005 CG GLU A 68 -12.700 -1.100 -3.277 1.00 0.00 C ATOM 1006 CD GLU A 68 -13.639 -0.007 -2.805 1.00 0.00 C ATOM 1007 OE1 GLU A 68 -13.787 1.000 -3.528 1.00 0.00 O ATOM 1008 OE2 GLU A 68 -14.227 -0.160 -1.714 1.00 0.00 O ATOM 0 H GLU A 68 -10.065 1.328 -4.730 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.907 0.486 -2.240 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.832 0.210 -4.728 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.053 -1.355 -4.618 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.245 -1.788 -3.924 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.357 -1.675 -2.417 1.00 0.00 H new ATOM 1015 N ALA A 69 -8.456 -1.332 -3.439 1.00 0.00 N ATOM 1016 CA ALA A 69 -7.477 -2.358 -3.100 1.00 0.00 C ATOM 1017 C ALA A 69 -6.780 -2.038 -1.783 1.00 0.00 C ATOM 1018 O ALA A 69 -6.925 -2.765 -0.800 1.00 0.00 O ATOM 1019 CB ALA A 69 -6.455 -2.503 -4.219 1.00 0.00 C ATOM 0 H ALA A 69 -8.285 -0.863 -4.328 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.005 -3.304 -2.981 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.730 -3.272 -3.952 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.963 -2.787 -5.141 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.939 -1.554 -4.366 1.00 0.00 H new ATOM 1025 N ALA A 70 -6.023 -0.946 -1.769 1.00 0.00 N ATOM 1026 CA ALA A 70 -5.304 -0.529 -0.572 1.00 0.00 C ATOM 1027 C ALA A 70 -6.177 -0.673 0.670 1.00 0.00 C ATOM 1028 O ALA A 70 -5.724 -1.163 1.704 1.00 0.00 O ATOM 1029 CB ALA A 70 -4.823 0.907 -0.717 1.00 0.00 C ATOM 0 H ALA A 70 -5.892 -0.334 -2.574 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.438 -1.180 -0.454 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.288 1.204 0.185 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.156 0.982 -1.576 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.680 1.565 -0.864 1.00 0.00 H new ATOM 1035 N GLN A 71 -7.429 -0.242 0.561 1.00 0.00 N ATOM 1036 CA GLN A 71 -8.365 -0.322 1.677 1.00 0.00 C ATOM 1037 C GLN A 71 -8.676 -1.774 2.023 1.00 0.00 C ATOM 1038 O GLN A 71 -8.749 -2.142 3.195 1.00 0.00 O ATOM 1039 CB GLN A 71 -9.658 0.423 1.340 1.00 0.00 C ATOM 1040 CG GLN A 71 -9.434 1.857 0.888 1.00 0.00 C ATOM 1041 CD GLN A 71 -8.268 2.517 1.597 1.00 0.00 C ATOM 1042 OE1 GLN A 71 -7.057 2.248 1.123 1.00 0.00 O flip ATOM 1043 NE2 GLN A 71 -8.453 3.261 2.560 1.00 0.00 N flip ATOM 0 H GLN A 71 -7.819 0.166 -0.288 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.899 0.147 2.544 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.185 -0.118 0.555 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.306 0.424 2.217 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.256 1.871 -0.187 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.339 2.437 1.069 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -9.401 3.440 2.891 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -7.658 3.698 3.027 1.00 0.00 H new ATOM 1052 N LYS A 72 -8.859 -2.596 0.995 1.00 0.00 N ATOM 1053 CA LYS A 72 -9.161 -4.009 1.189 1.00 0.00 C ATOM 1054 C LYS A 72 -7.996 -4.727 1.862 1.00 0.00 C ATOM 1055 O LYS A 72 -8.184 -5.752 2.520 1.00 0.00 O ATOM 1056 CB LYS A 72 -9.476 -4.673 -0.153 1.00 0.00 C ATOM 1057 CG LYS A 72 -10.846 -4.314 -0.703 1.00 0.00 C ATOM 1058 CD LYS A 72 -11.058 -4.892 -2.092 1.00 0.00 C ATOM 1059 CE LYS A 72 -12.328 -4.352 -2.732 1.00 0.00 C ATOM 1060 NZ LYS A 72 -12.939 -5.335 -3.668 1.00 0.00 N ATOM 0 H LYS A 72 -8.803 -2.307 0.018 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.034 -4.082 1.838 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.716 -4.385 -0.879 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.412 -5.755 -0.037 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.618 -4.688 -0.031 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.952 -3.230 -0.739 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.201 -4.652 -2.722 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.114 -5.979 -2.030 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.047 -4.097 -1.953 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.101 -3.432 -3.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.802 -4.929 -4.083 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.263 -5.560 -4.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.180 -6.204 -3.150 1.00 0.00 H new ATOM 1074 N CYS A 73 -6.796 -4.184 1.696 1.00 0.00 N ATOM 1075 CA CYS A 73 -5.601 -4.773 2.289 1.00 0.00 C ATOM 1076 C CYS A 73 -5.515 -4.448 3.776 1.00 0.00 C ATOM 1077 O CYS A 73 -5.046 -5.260 4.575 1.00 0.00 O ATOM 1078 CB CYS A 73 -4.348 -4.268 1.571 1.00 0.00 C ATOM 1079 SG CYS A 73 -2.798 -4.730 2.379 1.00 0.00 S ATOM 0 H CYS A 73 -6.624 -3.336 1.155 1.00 0.00 H new ATOM 0 HA CYS A 73 -5.665 -5.855 2.175 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.344 -4.657 0.553 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.397 -3.182 1.498 1.00 0.00 H new ATOM 0 HG CYS A 73 -3.055 -5.289 3.524 1.00 0.00 H new ATOM 1085 N LEU A 74 -5.969 -3.254 4.143 1.00 0.00 N ATOM 1086 CA LEU A 74 -5.942 -2.820 5.535 1.00 0.00 C ATOM 1087 C LEU A 74 -6.902 -3.648 6.382 1.00 0.00 C ATOM 1088 O LEU A 74 -6.483 -4.370 7.287 1.00 0.00 O ATOM 1089 CB LEU A 74 -6.306 -1.337 5.634 1.00 0.00 C ATOM 1090 CG LEU A 74 -5.440 -0.377 4.818 1.00 0.00 C ATOM 1091 CD1 LEU A 74 -6.131 0.969 4.669 1.00 0.00 C ATOM 1092 CD2 LEU A 74 -4.073 -0.210 5.465 1.00 0.00 C ATOM 0 H LEU A 74 -6.360 -2.570 3.496 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.931 -2.967 5.916 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.343 -1.216 5.319 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.254 -1.040 6.681 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.299 -0.801 3.824 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.500 1.639 4.085 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.085 0.834 4.160 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.304 1.400 5.655 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.470 0.477 4.870 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -4.193 0.191 6.471 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.575 -1.178 5.517 1.00 0.00 H new ATOM 1104 N ALA A 75 -8.192 -3.541 6.082 1.00 0.00 N ATOM 1105 CA ALA A 75 -9.211 -4.284 6.813 1.00 0.00 C ATOM 1106 C ALA A 75 -8.784 -5.731 7.033 1.00 0.00 C ATOM 1107 O ALA A 75 -9.211 -6.376 7.990 1.00 0.00 O ATOM 1108 CB ALA A 75 -10.538 -4.230 6.070 1.00 0.00 C ATOM 0 H ALA A 75 -8.556 -2.947 5.337 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.335 -3.817 7.790 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.290 -4.789 6.627 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.857 -3.193 5.970 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.419 -4.670 5.080 1.00 0.00 H new ATOM 1114 N ALA A 76 -7.939 -6.236 6.140 1.00 0.00 N ATOM 1115 CA ALA A 76 -7.454 -7.607 6.237 1.00 0.00 C ATOM 1116 C ALA A 76 -6.198 -7.685 7.100 1.00 0.00 C ATOM 1117 O ALA A 76 -5.948 -8.693 7.759 1.00 0.00 O ATOM 1118 CB ALA A 76 -7.179 -8.170 4.851 1.00 0.00 C ATOM 0 H ALA A 76 -7.576 -5.716 5.341 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.229 -8.207 6.713 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.817 -9.194 4.940 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.098 -8.159 4.265 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.424 -7.561 4.354 1.00 0.00 H new ATOM 1124 N ALA A 77 -5.412 -6.613 7.090 1.00 0.00 N ATOM 1125 CA ALA A 77 -4.184 -6.560 7.873 1.00 0.00 C ATOM 1126 C ALA A 77 -4.484 -6.339 9.352 1.00 0.00 C ATOM 1127 O ALA A 77 -3.829 -6.916 10.220 1.00 0.00 O ATOM 1128 CB ALA A 77 -3.271 -5.462 7.348 1.00 0.00 C ATOM 0 H ALA A 77 -5.604 -5.770 6.548 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.676 -7.519 7.772 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.357 -5.433 7.942 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.021 -5.664 6.307 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.780 -4.501 7.419 1.00 0.00 H new ATOM 1134 N SER A 78 -5.477 -5.502 9.630 1.00 0.00 N ATOM 1135 CA SER A 78 -5.861 -5.201 11.005 1.00 0.00 C ATOM 1136 C SER A 78 -6.424 -6.441 11.695 1.00 0.00 C ATOM 1137 O SER A 78 -7.449 -6.984 11.282 1.00 0.00 O ATOM 1138 CB SER A 78 -6.895 -4.074 11.033 1.00 0.00 C ATOM 1139 OG SER A 78 -6.790 -3.316 12.226 1.00 0.00 O ATOM 0 H SER A 78 -6.031 -5.020 8.922 1.00 0.00 H new ATOM 0 HA SER A 78 -4.970 -4.880 11.544 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.751 -3.423 10.171 1.00 0.00 H new ATOM 0 HB3 SER A 78 -7.898 -4.494 10.952 1.00 0.00 H new ATOM 0 HG SER A 78 -7.460 -2.601 12.219 1.00 0.00 H new ATOM 1225 N LEU A 86 -3.238 -10.371 9.068 1.00 0.00 N ATOM 1226 CA LEU A 86 -2.370 -11.186 8.224 1.00 0.00 C ATOM 1227 C LEU A 86 -1.054 -11.492 8.931 1.00 0.00 C ATOM 1228 O LEU A 86 -0.587 -10.713 9.762 1.00 0.00 O ATOM 1229 CB LEU A 86 -2.097 -10.471 6.900 1.00 0.00 C ATOM 1230 CG LEU A 86 -3.081 -10.760 5.765 1.00 0.00 C ATOM 1231 CD1 LEU A 86 -4.425 -10.107 6.045 1.00 0.00 C ATOM 1232 CD2 LEU A 86 -2.518 -10.279 4.436 1.00 0.00 C ATOM 0 HA LEU A 86 -2.880 -12.128 8.023 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.092 -9.397 7.085 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.096 -10.741 6.564 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.230 -11.838 5.704 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.112 -10.323 5.227 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.834 -10.500 6.976 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.294 -9.028 6.133 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.231 -10.493 3.640 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.339 -9.205 4.484 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.580 -10.794 4.230 1.00 0.00 H new ATOM 1244 N LYS A 87 -0.459 -12.631 8.594 1.00 0.00 N ATOM 1245 CA LYS A 87 0.806 -13.041 9.194 1.00 0.00 C ATOM 1246 C LYS A 87 1.735 -13.643 8.144 1.00 0.00 C ATOM 1247 O LYS A 87 1.308 -14.433 7.302 1.00 0.00 O ATOM 1248 CB LYS A 87 0.559 -14.054 10.313 1.00 0.00 C ATOM 1249 CG LYS A 87 -0.264 -13.501 11.464 1.00 0.00 C ATOM 1250 CD LYS A 87 0.050 -14.214 12.768 1.00 0.00 C ATOM 1251 CE LYS A 87 -0.713 -13.605 13.934 1.00 0.00 C ATOM 1252 NZ LYS A 87 -0.705 -14.495 15.128 1.00 0.00 N ATOM 0 H LYS A 87 -0.832 -13.287 7.908 1.00 0.00 H new ATOM 0 HA LYS A 87 1.285 -12.156 9.614 1.00 0.00 H new ATOM 0 HB2 LYS A 87 0.050 -14.924 9.898 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.519 -14.400 10.697 1.00 0.00 H new ATOM 0 HG2 LYS A 87 -0.066 -12.435 11.575 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.325 -13.606 11.237 1.00 0.00 H new ATOM 0 HD2 LYS A 87 -0.205 -15.270 12.677 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.121 -14.160 12.965 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.271 -12.644 14.195 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -1.742 -13.411 13.633 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -1.235 -14.044 15.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -1.150 -15.404 14.887 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.276 -14.660 15.432 1.00 0.00 H new ATOM 1266 N LEU A 88 3.008 -13.265 8.202 1.00 0.00 N ATOM 1267 CA LEU A 88 3.999 -13.770 7.257 1.00 0.00 C ATOM 1268 C LEU A 88 5.155 -14.444 7.989 1.00 0.00 C ATOM 1269 O LEU A 88 5.888 -13.800 8.739 1.00 0.00 O ATOM 1270 CB LEU A 88 4.528 -12.629 6.386 1.00 0.00 C ATOM 1271 CG LEU A 88 5.178 -13.041 5.064 1.00 0.00 C ATOM 1272 CD1 LEU A 88 4.125 -13.209 3.980 1.00 0.00 C ATOM 1273 CD2 LEU A 88 6.222 -12.017 4.642 1.00 0.00 C ATOM 0 H LEU A 88 3.378 -12.612 8.892 1.00 0.00 H new ATOM 0 HA LEU A 88 3.515 -14.511 6.621 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.702 -11.953 6.167 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.257 -12.064 6.966 1.00 0.00 H new ATOM 0 HG LEU A 88 5.676 -14.000 5.209 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.607 -13.502 3.047 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.414 -13.979 4.279 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.598 -12.266 3.835 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.674 -12.326 3.700 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.747 -11.044 4.515 1.00 0.00 H new ATOM 0 HD23 LEU A 88 6.993 -11.947 5.409 1.00 0.00 H new ATOM 1285 N ASP A 89 5.313 -15.744 7.764 1.00 0.00 N ATOM 1286 CA ASP A 89 6.382 -16.505 8.399 1.00 0.00 C ATOM 1287 C ASP A 89 6.231 -16.491 9.917 1.00 0.00 C ATOM 1288 O ASP A 89 7.219 -16.520 10.649 1.00 0.00 O ATOM 1289 CB ASP A 89 7.746 -15.937 8.004 1.00 0.00 C ATOM 1290 CG ASP A 89 8.197 -16.411 6.637 1.00 0.00 C ATOM 1291 OD1 ASP A 89 8.748 -17.528 6.549 1.00 0.00 O ATOM 1292 OD2 ASP A 89 8.000 -15.665 5.655 1.00 0.00 O ATOM 0 H ASP A 89 4.714 -16.292 7.147 1.00 0.00 H new ATOM 0 HA ASP A 89 6.314 -17.537 8.055 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.698 -14.848 8.010 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.487 -16.228 8.749 1.00 0.00 H new ATOM 1297 N GLY A 90 4.986 -16.447 10.383 1.00 0.00 N ATOM 1298 CA GLY A 90 4.729 -16.429 11.811 1.00 0.00 C ATOM 1299 C GLY A 90 4.988 -15.069 12.429 1.00 0.00 C ATOM 1300 O GLY A 90 5.532 -14.974 13.529 1.00 0.00 O ATOM 0 H GLY A 90 4.151 -16.424 9.797 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.694 -16.717 11.995 1.00 0.00 H new ATOM 0 HA3 GLY A 90 5.358 -17.173 12.300 1.00 0.00 H new ATOM 1304 N ARG A 91 4.599 -14.015 11.720 1.00 0.00 N ATOM 1305 CA ARG A 91 4.795 -12.654 12.205 1.00 0.00 C ATOM 1306 C ARG A 91 3.673 -11.738 11.724 1.00 0.00 C ATOM 1307 O ARG A 91 3.445 -11.600 10.523 1.00 0.00 O ATOM 1308 CB ARG A 91 6.146 -12.112 11.736 1.00 0.00 C ATOM 1309 CG ARG A 91 7.336 -12.871 12.300 1.00 0.00 C ATOM 1310 CD ARG A 91 8.546 -11.966 12.467 1.00 0.00 C ATOM 1311 NE ARG A 91 9.433 -12.427 13.532 1.00 0.00 N ATOM 1312 CZ ARG A 91 9.209 -12.204 14.822 1.00 0.00 C ATOM 1313 NH1 ARG A 91 8.134 -11.530 15.206 1.00 0.00 N ATOM 1314 NH2 ARG A 91 10.062 -12.657 15.732 1.00 0.00 N ATOM 0 H ARG A 91 4.146 -14.077 10.808 1.00 0.00 H new ATOM 0 HA ARG A 91 4.779 -12.678 13.295 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.185 -12.150 10.647 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.226 -11.063 12.022 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.069 -13.304 13.264 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.588 -13.699 11.637 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.099 -11.923 11.528 1.00 0.00 H new ATOM 0 HD3 ARG A 91 8.212 -10.952 12.687 1.00 0.00 H new ATOM 0 HE ARG A 91 10.270 -12.948 13.271 1.00 0.00 H new ATOM 0 HH11 ARG A 91 7.475 -11.181 14.510 1.00 0.00 H new ATOM 0 HH12 ARG A 91 7.965 -11.361 16.198 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.890 -13.177 15.441 1.00 0.00 H new ATOM 0 HH22 ARG A 91 9.890 -12.486 16.723 1.00 0.00 H new ATOM 1328 N GLN A 92 2.977 -11.116 12.670 1.00 0.00 N ATOM 1329 CA GLN A 92 1.878 -10.215 12.342 1.00 0.00 C ATOM 1330 C GLN A 92 2.349 -9.096 11.420 1.00 0.00 C ATOM 1331 O GLN A 92 3.481 -8.622 11.529 1.00 0.00 O ATOM 1332 CB GLN A 92 1.278 -9.623 13.618 1.00 0.00 C ATOM 1333 CG GLN A 92 -0.192 -9.257 13.486 1.00 0.00 C ATOM 1334 CD GLN A 92 -0.398 -7.860 12.935 1.00 0.00 C ATOM 1335 OE1 GLN A 92 0.278 -6.914 13.341 1.00 0.00 O ATOM 1336 NE2 GLN A 92 -1.335 -7.723 12.004 1.00 0.00 N ATOM 0 H GLN A 92 3.154 -11.219 13.669 1.00 0.00 H new ATOM 0 HA GLN A 92 1.112 -10.790 11.822 1.00 0.00 H new ATOM 0 HB2 GLN A 92 1.394 -10.340 14.431 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.842 -8.733 13.896 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.685 -9.977 12.833 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.670 -9.333 14.462 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -1.872 -8.534 11.697 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -1.518 -6.806 11.596 1.00 0.00 H new ATOM 1345 N LEU A 93 1.475 -8.677 10.511 1.00 0.00 N ATOM 1346 CA LEU A 93 1.802 -7.612 9.569 1.00 0.00 C ATOM 1347 C LEU A 93 0.887 -6.408 9.770 1.00 0.00 C ATOM 1348 O LEU A 93 -0.323 -6.556 9.946 1.00 0.00 O ATOM 1349 CB LEU A 93 1.684 -8.123 8.132 1.00 0.00 C ATOM 1350 CG LEU A 93 2.401 -9.438 7.826 1.00 0.00 C ATOM 1351 CD1 LEU A 93 1.986 -9.967 6.462 1.00 0.00 C ATOM 1352 CD2 LEU A 93 3.910 -9.252 7.892 1.00 0.00 C ATOM 0 H LEU A 93 0.535 -9.058 10.406 1.00 0.00 H new ATOM 0 HA LEU A 93 2.830 -7.299 9.754 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.627 -8.246 7.897 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.073 -7.356 7.462 1.00 0.00 H new ATOM 0 HG LEU A 93 2.113 -10.170 8.580 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.506 -10.903 6.261 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.910 -10.140 6.451 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.244 -9.237 5.695 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.403 -10.199 7.671 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.217 -8.504 7.161 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.192 -8.920 8.891 1.00 0.00 H new ATOM 1364 N LYS A 94 1.472 -5.216 9.740 1.00 0.00 N ATOM 1365 CA LYS A 94 0.711 -3.985 9.914 1.00 0.00 C ATOM 1366 C LYS A 94 0.740 -3.141 8.644 1.00 0.00 C ATOM 1367 O LYS A 94 1.762 -2.543 8.307 1.00 0.00 O ATOM 1368 CB LYS A 94 1.270 -3.177 11.088 1.00 0.00 C ATOM 1369 CG LYS A 94 0.680 -3.568 12.432 1.00 0.00 C ATOM 1370 CD LYS A 94 0.998 -2.538 13.502 1.00 0.00 C ATOM 1371 CE LYS A 94 0.183 -2.776 14.764 1.00 0.00 C ATOM 1372 NZ LYS A 94 0.301 -1.641 15.722 1.00 0.00 N ATOM 0 H LYS A 94 2.472 -5.076 9.597 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.324 -4.255 10.125 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.352 -3.306 11.124 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.081 -2.118 10.912 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.401 -3.675 12.339 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.072 -4.540 12.733 1.00 0.00 H new ATOM 0 HD2 LYS A 94 2.061 -2.576 13.741 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.794 -1.538 13.119 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.864 -2.920 14.498 1.00 0.00 H new ATOM 0 HE3 LYS A 94 0.519 -3.694 15.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.268 -1.841 16.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.297 -1.519 15.995 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -0.043 -0.769 15.271 1.00 0.00 H new ATOM 1386 N VAL A 95 -0.388 -3.097 7.942 1.00 0.00 N ATOM 1387 CA VAL A 95 -0.491 -2.325 6.709 1.00 0.00 C ATOM 1388 C VAL A 95 -1.275 -1.037 6.932 1.00 0.00 C ATOM 1389 O VAL A 95 -2.377 -1.056 7.481 1.00 0.00 O ATOM 1390 CB VAL A 95 -1.170 -3.140 5.592 1.00 0.00 C ATOM 1391 CG1 VAL A 95 -1.191 -2.350 4.292 1.00 0.00 C ATOM 1392 CG2 VAL A 95 -0.465 -4.475 5.403 1.00 0.00 C ATOM 0 H VAL A 95 -1.243 -3.587 8.206 1.00 0.00 H new ATOM 0 HA VAL A 95 0.526 -2.080 6.402 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.201 -3.338 5.886 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.674 -2.942 3.515 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.744 -1.422 4.439 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.169 -2.119 3.990 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.958 -5.038 4.610 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.576 -4.301 5.131 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.508 -5.044 6.332 1.00 0.00 H new ATOM 1402 N ASP A 96 -0.701 0.081 6.503 1.00 0.00 N ATOM 1403 CA ASP A 96 -1.346 1.379 6.654 1.00 0.00 C ATOM 1404 C ASP A 96 -1.115 2.248 5.421 1.00 0.00 C ATOM 1405 O ASP A 96 -0.055 2.189 4.796 1.00 0.00 O ATOM 1406 CB ASP A 96 -0.820 2.093 7.900 1.00 0.00 C ATOM 1407 CG ASP A 96 -1.652 3.306 8.268 1.00 0.00 C ATOM 1408 OD1 ASP A 96 -2.788 3.122 8.754 1.00 0.00 O ATOM 1409 OD2 ASP A 96 -1.167 4.439 8.069 1.00 0.00 O ATOM 0 H ASP A 96 0.211 0.114 6.047 1.00 0.00 H new ATOM 0 HA ASP A 96 -2.418 1.213 6.765 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -0.810 1.396 8.738 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.211 2.402 7.730 1.00 0.00 H new ATOM 1414 N LEU A 97 -2.114 3.052 5.075 1.00 0.00 N ATOM 1415 CA LEU A 97 -2.021 3.932 3.915 1.00 0.00 C ATOM 1416 C LEU A 97 -0.891 4.942 4.087 1.00 0.00 C ATOM 1417 O LEU A 97 -1.047 5.953 4.771 1.00 0.00 O ATOM 1418 CB LEU A 97 -3.346 4.666 3.699 1.00 0.00 C ATOM 1419 CG LEU A 97 -3.505 5.384 2.359 1.00 0.00 C ATOM 1420 CD1 LEU A 97 -2.163 5.904 1.869 1.00 0.00 C ATOM 1421 CD2 LEU A 97 -4.128 4.455 1.326 1.00 0.00 C ATOM 0 H LEU A 97 -2.998 3.113 5.581 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.806 3.318 3.041 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.158 3.946 3.801 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.467 5.398 4.497 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.171 6.235 2.502 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.296 6.412 0.914 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.756 6.604 2.599 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.473 5.069 1.743 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.234 4.983 0.378 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.487 3.584 1.187 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.110 4.132 1.672 1.00 0.00 H new ATOM 1433 N ALA A 98 0.247 4.661 3.460 1.00 0.00 N ATOM 1434 CA ALA A 98 1.402 5.546 3.540 1.00 0.00 C ATOM 1435 C ALA A 98 1.320 6.652 2.494 1.00 0.00 C ATOM 1436 O ALA A 98 0.324 6.773 1.780 1.00 0.00 O ATOM 1437 CB ALA A 98 2.689 4.751 3.371 1.00 0.00 C ATOM 0 H ALA A 98 0.393 3.827 2.891 1.00 0.00 H new ATOM 0 HA ALA A 98 1.403 6.013 4.525 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.544 5.425 3.433 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.760 4.002 4.159 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.686 4.257 2.400 1.00 0.00 H new ATOM 1443 N VAL A 99 2.373 7.459 2.408 1.00 0.00 N ATOM 1444 CA VAL A 99 2.420 8.555 1.448 1.00 0.00 C ATOM 1445 C VAL A 99 3.857 8.886 1.061 1.00 0.00 C ATOM 1446 O VAL A 99 4.705 9.124 1.923 1.00 0.00 O ATOM 1447 CB VAL A 99 1.746 9.821 2.009 1.00 0.00 C ATOM 1448 CG1 VAL A 99 2.347 10.194 3.356 1.00 0.00 C ATOM 1449 CG2 VAL A 99 1.872 10.973 1.023 1.00 0.00 C ATOM 0 H VAL A 99 3.205 7.374 2.992 1.00 0.00 H new ATOM 0 HA VAL A 99 1.876 8.224 0.563 1.00 0.00 H new ATOM 0 HB VAL A 99 0.686 9.612 2.156 1.00 0.00 H new ATOM 0 HG11 VAL A 99 1.858 11.091 3.737 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.200 9.374 4.059 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.414 10.384 3.238 1.00 0.00 H new ATOM 0 HG21 VAL A 99 1.390 11.859 1.436 1.00 0.00 H new ATOM 0 HG22 VAL A 99 2.926 11.184 0.842 1.00 0.00 H new ATOM 0 HG23 VAL A 99 1.390 10.702 0.084 1.00 0.00 H new