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+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0.0881 X(o=0.088,f=-0.047) USER MOD Single : A 24 SER OG : rot -161:sc= 0.133 USER MOD Single : A 27 SER OG : rot 180:sc= -0.0245 USER MOD Single : A 37 GLN : amide:sc= -4.9! C(o=-4.9!,f=-6.5!) USER MOD Single : A 38 GLN : amide:sc= -2.32 K(o=-2.3,f=-3!) 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 2:sc= 0.211 USER MOD Single : A 63 GLN : amide:sc= -0.483 X(o=-0.48,f=-0.76) USER MOD Single : A 65 MET CE :methyl -123:sc= -1.41 (180deg=-1.82!) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0138 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 71 GLN : amide:sc= -6.03! K(o=-6!,f=-1.4) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot -17:sc= -1.93 USER MOD Single : A 78 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 160:sc= -0.0308 (180deg=-0.238) USER MOD Single : A 92 GLN : amide:sc= -0.391 K(o=-0.39,f=-5.3!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 167 N GLY A 15 -3.716 8.026 -5.758 1.00 0.00 N ATOM 168 CA GLY A 15 -3.715 8.183 -4.316 1.00 0.00 C ATOM 169 C GLY A 15 -3.880 6.863 -3.588 1.00 0.00 C ATOM 170 O GLY A 15 -4.710 6.741 -2.687 1.00 0.00 O ATOM 0 HA2 GLY A 15 -2.781 8.651 -4.005 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.521 8.857 -4.027 1.00 0.00 H new ATOM 174 N LYS A 16 -3.088 5.871 -3.981 1.00 0.00 N ATOM 175 CA LYS A 16 -3.149 4.553 -3.361 1.00 0.00 C ATOM 176 C LYS A 16 -1.772 4.121 -2.865 1.00 0.00 C ATOM 177 O LYS A 16 -0.835 3.976 -3.650 1.00 0.00 O ATOM 178 CB LYS A 16 -3.690 3.523 -4.356 1.00 0.00 C ATOM 179 CG LYS A 16 -4.685 4.101 -5.347 1.00 0.00 C ATOM 180 CD LYS A 16 -4.720 3.296 -6.636 1.00 0.00 C ATOM 181 CE LYS A 16 -5.505 4.016 -7.721 1.00 0.00 C ATOM 182 NZ LYS A 16 -4.646 4.946 -8.504 1.00 0.00 N ATOM 0 H LYS A 16 -2.396 5.955 -4.726 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.822 4.612 -2.506 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.855 3.086 -4.904 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.168 2.713 -3.805 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.679 4.116 -4.899 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.420 5.135 -5.569 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.702 3.115 -6.981 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.170 2.322 -6.446 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.952 3.283 -8.392 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.324 4.574 -7.267 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.219 5.417 -9.233 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.239 5.661 -7.868 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.879 4.411 -8.959 1.00 0.00 H new ATOM 196 N THR A 17 -1.657 3.914 -1.557 1.00 0.00 N ATOM 197 CA THR A 17 -0.396 3.498 -0.956 1.00 0.00 C ATOM 198 C THR A 17 -0.623 2.459 0.136 1.00 0.00 C ATOM 199 O THR A 17 -1.741 2.291 0.624 1.00 0.00 O ATOM 200 CB THR A 17 0.364 4.697 -0.358 1.00 0.00 C ATOM 201 OG1 THR A 17 0.754 5.599 -1.400 1.00 0.00 O ATOM 202 CG2 THR A 17 1.595 4.232 0.404 1.00 0.00 C ATOM 0 H THR A 17 -2.423 4.028 -0.893 1.00 0.00 H new ATOM 0 HA THR A 17 0.203 3.058 -1.753 1.00 0.00 H new ATOM 0 HB THR A 17 -0.301 5.210 0.336 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.235 6.359 -1.011 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.115 5.096 0.817 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.292 3.569 1.215 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.261 3.697 -0.273 1.00 0.00 H new ATOM 210 N VAL A 18 0.444 1.764 0.515 1.00 0.00 N ATOM 211 CA VAL A 18 0.361 0.741 1.552 1.00 0.00 C ATOM 212 C VAL A 18 1.727 0.480 2.177 1.00 0.00 C ATOM 213 O VAL A 18 2.662 0.057 1.497 1.00 0.00 O ATOM 214 CB VAL A 18 -0.197 -0.581 0.993 1.00 0.00 C ATOM 215 CG1 VAL A 18 -1.485 -0.334 0.223 1.00 0.00 C ATOM 216 CG2 VAL A 18 0.838 -1.265 0.112 1.00 0.00 C ATOM 0 H VAL A 18 1.376 1.890 0.120 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.318 1.119 2.316 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.423 -1.242 1.829 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.864 -1.280 -0.164 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.227 0.110 0.887 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.288 0.345 -0.607 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.427 -2.198 -0.275 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.098 -0.610 -0.720 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.732 -1.478 0.699 1.00 0.00 H new ATOM 226 N PHE A 19 1.836 0.736 3.476 1.00 0.00 N ATOM 227 CA PHE A 19 3.088 0.529 4.194 1.00 0.00 C ATOM 228 C PHE A 19 2.968 -0.635 5.173 1.00 0.00 C ATOM 229 O PHE A 19 2.115 -0.627 6.061 1.00 0.00 O ATOM 230 CB PHE A 19 3.488 1.802 4.943 1.00 0.00 C ATOM 231 CG PHE A 19 4.752 1.656 5.741 1.00 0.00 C ATOM 232 CD1 PHE A 19 5.904 1.159 5.153 1.00 0.00 C ATOM 233 CD2 PHE A 19 4.789 2.016 7.078 1.00 0.00 C ATOM 234 CE1 PHE A 19 7.070 1.024 5.884 1.00 0.00 C ATOM 235 CE2 PHE A 19 5.951 1.883 7.814 1.00 0.00 C ATOM 236 CZ PHE A 19 7.093 1.386 7.216 1.00 0.00 C ATOM 0 H PHE A 19 1.072 1.087 4.053 1.00 0.00 H new ATOM 0 HA PHE A 19 3.861 0.288 3.464 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.613 2.612 4.225 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.677 2.091 5.612 1.00 0.00 H new ATOM 0 HD1 PHE A 19 5.891 0.874 4.111 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.899 2.405 7.551 1.00 0.00 H new ATOM 0 HE1 PHE A 19 7.961 0.636 5.414 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.966 2.167 8.856 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.002 1.281 7.790 1.00 0.00 H new ATOM 246 N ILE A 20 3.828 -1.634 5.004 1.00 0.00 N ATOM 247 CA ILE A 20 3.818 -2.805 5.872 1.00 0.00 C ATOM 248 C ILE A 20 4.834 -2.660 7.000 1.00 0.00 C ATOM 249 O ILE A 20 5.953 -2.194 6.785 1.00 0.00 O ATOM 250 CB ILE A 20 4.122 -4.093 5.085 1.00 0.00 C ATOM 251 CG1 ILE A 20 3.274 -4.151 3.813 1.00 0.00 C ATOM 252 CG2 ILE A 20 3.869 -5.316 5.953 1.00 0.00 C ATOM 253 CD1 ILE A 20 3.918 -3.470 2.625 1.00 0.00 C ATOM 0 H ILE A 20 4.540 -1.656 4.274 1.00 0.00 H new ATOM 0 HA ILE A 20 2.816 -2.876 6.294 1.00 0.00 H new ATOM 0 HB ILE A 20 5.174 -4.087 4.798 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.080 -5.194 3.563 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.308 -3.685 4.009 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.088 -6.219 5.383 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.512 -5.277 6.832 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.825 -5.330 6.267 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.261 -3.550 1.759 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.087 -2.418 2.856 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.871 -3.950 2.403 1.00 0.00 H new ATOM 265 N ARG A 21 4.437 -3.065 8.202 1.00 0.00 N ATOM 266 CA ARG A 21 5.314 -2.981 9.364 1.00 0.00 C ATOM 267 C ARG A 21 5.442 -4.340 10.047 1.00 0.00 C ATOM 268 O ARG A 21 4.585 -5.209 9.890 1.00 0.00 O ATOM 269 CB ARG A 21 4.781 -1.948 10.358 1.00 0.00 C ATOM 270 CG ARG A 21 5.143 -0.516 10.001 1.00 0.00 C ATOM 271 CD ARG A 21 5.278 0.351 11.242 1.00 0.00 C ATOM 272 NE ARG A 21 4.927 1.744 10.978 1.00 0.00 N ATOM 273 CZ ARG A 21 3.711 2.141 10.619 1.00 0.00 C ATOM 274 NH1 ARG A 21 2.735 1.254 10.483 1.00 0.00 N ATOM 275 NH2 ARG A 21 3.470 3.426 10.396 1.00 0.00 N ATOM 0 H ARG A 21 3.515 -3.454 8.397 1.00 0.00 H new ATOM 0 HA ARG A 21 6.301 -2.670 9.021 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.696 -2.036 10.414 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.171 -2.176 11.350 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.080 -0.505 9.444 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.378 -0.099 9.346 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.635 -0.042 12.030 1.00 0.00 H new ATOM 0 HD3 ARG A 21 6.302 0.299 11.611 1.00 0.00 H new ATOM 0 HE ARG A 21 5.656 2.451 11.075 1.00 0.00 H new ATOM 0 HH11 ARG A 21 2.917 0.265 10.654 1.00 0.00 H new ATOM 0 HH12 ARG A 21 1.802 1.561 10.207 1.00 0.00 H new ATOM 0 HH21 ARG A 21 4.219 4.111 10.500 1.00 0.00 H new ATOM 0 HH22 ARG A 21 2.536 3.729 10.120 1.00 0.00 H new ATOM 289 N ASN A 22 6.520 -4.516 10.805 1.00 0.00 N ATOM 290 CA ASN A 22 6.762 -5.769 11.511 1.00 0.00 C ATOM 291 C ASN A 22 6.973 -6.916 10.527 1.00 0.00 C ATOM 292 O ASN A 22 6.360 -7.977 10.652 1.00 0.00 O ATOM 293 CB ASN A 22 5.589 -6.089 12.440 1.00 0.00 C ATOM 294 CG ASN A 22 5.994 -6.988 13.593 1.00 0.00 C ATOM 295 OD1 ASN A 22 6.859 -6.637 14.394 1.00 0.00 O ATOM 296 ND2 ASN A 22 5.367 -8.156 13.680 1.00 0.00 N ATOM 0 H ASN A 22 7.239 -3.807 10.946 1.00 0.00 H new ATOM 0 HA ASN A 22 7.668 -5.653 12.106 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.177 -5.160 12.834 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.797 -6.571 11.868 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.597 -8.803 14.434 1.00 0.00 H new ATOM 0 HD22 ASN A 22 4.656 -8.405 12.993 1.00 0.00 H new ATOM 303 N LEU A 23 7.845 -6.695 9.549 1.00 0.00 N ATOM 304 CA LEU A 23 8.139 -7.710 8.543 1.00 0.00 C ATOM 305 C LEU A 23 9.262 -8.630 9.010 1.00 0.00 C ATOM 306 O LEU A 23 10.148 -8.214 9.757 1.00 0.00 O ATOM 307 CB LEU A 23 8.523 -7.047 7.219 1.00 0.00 C ATOM 308 CG LEU A 23 7.378 -6.414 6.428 1.00 0.00 C ATOM 309 CD1 LEU A 23 7.919 -5.450 5.384 1.00 0.00 C ATOM 310 CD2 LEU A 23 6.525 -7.490 5.771 1.00 0.00 C ATOM 0 H LEU A 23 8.360 -5.823 9.431 1.00 0.00 H new ATOM 0 HA LEU A 23 7.242 -8.310 8.394 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.266 -6.276 7.424 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.004 -7.794 6.588 1.00 0.00 H new ATOM 0 HG LEU A 23 6.751 -5.853 7.121 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.089 -5.009 4.831 1.00 0.00 H new ATOM 0 HD12 LEU A 23 8.486 -4.661 5.877 1.00 0.00 H new ATOM 0 HD13 LEU A 23 8.570 -5.988 4.694 1.00 0.00 H new ATOM 0 HD21 LEU A 23 5.715 -7.021 5.212 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.141 -8.078 5.091 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.107 -8.142 6.538 1.00 0.00 H new ATOM 322 N SER A 24 9.221 -9.881 8.562 1.00 0.00 N ATOM 323 CA SER A 24 10.235 -10.860 8.935 1.00 0.00 C ATOM 324 C SER A 24 11.399 -10.838 7.949 1.00 0.00 C ATOM 325 O SER A 24 11.203 -10.928 6.737 1.00 0.00 O ATOM 326 CB SER A 24 9.624 -12.262 8.990 1.00 0.00 C ATOM 327 OG SER A 24 10.432 -13.140 9.753 1.00 0.00 O ATOM 0 H SER A 24 8.496 -10.240 7.940 1.00 0.00 H new ATOM 0 HA SER A 24 10.613 -10.597 9.923 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.626 -12.210 9.425 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.511 -12.653 7.979 1.00 0.00 H new ATOM 0 HG SER A 24 10.205 -14.068 9.533 1.00 0.00 H new ATOM 333 N PHE A 25 12.612 -10.719 8.479 1.00 0.00 N ATOM 334 CA PHE A 25 13.810 -10.685 7.647 1.00 0.00 C ATOM 335 C PHE A 25 13.702 -11.682 6.498 1.00 0.00 C ATOM 336 O PHE A 25 14.065 -11.378 5.361 1.00 0.00 O ATOM 337 CB PHE A 25 15.050 -10.991 8.489 1.00 0.00 C ATOM 338 CG PHE A 25 15.282 -10.002 9.596 1.00 0.00 C ATOM 339 CD1 PHE A 25 15.824 -8.755 9.326 1.00 0.00 C ATOM 340 CD2 PHE A 25 14.959 -10.319 10.905 1.00 0.00 C ATOM 341 CE1 PHE A 25 16.040 -7.844 10.343 1.00 0.00 C ATOM 342 CE2 PHE A 25 15.172 -9.412 11.926 1.00 0.00 C ATOM 343 CZ PHE A 25 15.712 -8.172 11.644 1.00 0.00 C ATOM 0 H PHE A 25 12.792 -10.645 9.480 1.00 0.00 H new ATOM 0 HA PHE A 25 13.903 -9.683 7.228 1.00 0.00 H new ATOM 0 HB2 PHE A 25 14.951 -11.988 8.918 1.00 0.00 H new ATOM 0 HB3 PHE A 25 15.925 -11.009 7.839 1.00 0.00 H new ATOM 0 HD1 PHE A 25 16.080 -8.492 8.310 1.00 0.00 H new ATOM 0 HD2 PHE A 25 14.536 -11.287 11.131 1.00 0.00 H new ATOM 0 HE1 PHE A 25 16.465 -6.876 10.120 1.00 0.00 H new ATOM 0 HE2 PHE A 25 14.917 -9.672 12.943 1.00 0.00 H new ATOM 0 HZ PHE A 25 15.877 -7.460 12.439 1.00 0.00 H new ATOM 353 N ASP A 26 13.203 -12.875 6.802 1.00 0.00 N ATOM 354 CA ASP A 26 13.047 -13.918 5.796 1.00 0.00 C ATOM 355 C ASP A 26 12.212 -13.419 4.620 1.00 0.00 C ATOM 356 O ASP A 26 12.522 -13.700 3.463 1.00 0.00 O ATOM 357 CB ASP A 26 12.394 -15.157 6.411 1.00 0.00 C ATOM 358 CG ASP A 26 13.162 -15.681 7.609 1.00 0.00 C ATOM 359 OD1 ASP A 26 14.370 -15.387 7.714 1.00 0.00 O ATOM 360 OD2 ASP A 26 12.553 -16.386 8.442 1.00 0.00 O ATOM 0 H ASP A 26 12.899 -13.144 7.738 1.00 0.00 H new ATOM 0 HA ASP A 26 14.038 -14.184 5.428 1.00 0.00 H new ATOM 0 HB2 ASP A 26 11.375 -14.915 6.714 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.325 -15.940 5.656 1.00 0.00 H new ATOM 365 N SER A 27 11.151 -12.679 4.927 1.00 0.00 N ATOM 366 CA SER A 27 10.268 -12.145 3.896 1.00 0.00 C ATOM 367 C SER A 27 11.069 -11.670 2.688 1.00 0.00 C ATOM 368 O SER A 27 12.260 -11.379 2.795 1.00 0.00 O ATOM 369 CB SER A 27 9.436 -10.990 4.456 1.00 0.00 C ATOM 370 OG SER A 27 8.617 -10.417 3.452 1.00 0.00 O ATOM 0 H SER A 27 10.882 -12.436 5.880 1.00 0.00 H new ATOM 0 HA SER A 27 9.599 -12.944 3.576 1.00 0.00 H new ATOM 0 HB2 SER A 27 8.814 -11.350 5.275 1.00 0.00 H new ATOM 0 HB3 SER A 27 10.097 -10.228 4.869 1.00 0.00 H new ATOM 0 HG SER A 27 8.094 -9.682 3.836 1.00 0.00 H new ATOM 376 N GLU A 28 10.406 -11.596 1.538 1.00 0.00 N ATOM 377 CA GLU A 28 11.056 -11.158 0.308 1.00 0.00 C ATOM 378 C GLU A 28 10.084 -10.380 -0.574 1.00 0.00 C ATOM 379 O GLU A 28 8.931 -10.776 -0.743 1.00 0.00 O ATOM 380 CB GLU A 28 11.608 -12.360 -0.460 1.00 0.00 C ATOM 381 CG GLU A 28 12.499 -13.261 0.379 1.00 0.00 C ATOM 382 CD GLU A 28 13.284 -14.250 -0.461 1.00 0.00 C ATOM 383 OE1 GLU A 28 14.147 -13.807 -1.248 1.00 0.00 O ATOM 384 OE2 GLU A 28 13.036 -15.467 -0.330 1.00 0.00 O ATOM 0 H GLU A 28 9.420 -11.834 1.432 1.00 0.00 H new ATOM 0 HA GLU A 28 11.881 -10.499 0.579 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.775 -12.946 -0.848 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.174 -12.002 -1.320 1.00 0.00 H new ATOM 0 HG2 GLU A 28 13.193 -12.647 0.954 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.886 -13.806 1.097 1.00 0.00 H new ATOM 391 N GLU A 29 10.558 -9.270 -1.132 1.00 0.00 N ATOM 392 CA GLU A 29 9.730 -8.436 -1.995 1.00 0.00 C ATOM 393 C GLU A 29 8.768 -9.290 -2.817 1.00 0.00 C ATOM 394 O GLU A 29 7.594 -8.952 -2.964 1.00 0.00 O ATOM 395 CB GLU A 29 10.608 -7.598 -2.927 1.00 0.00 C ATOM 396 CG GLU A 29 9.915 -6.357 -3.463 1.00 0.00 C ATOM 397 CD GLU A 29 10.786 -5.574 -4.427 1.00 0.00 C ATOM 398 OE1 GLU A 29 11.703 -4.868 -3.960 1.00 0.00 O ATOM 399 OE2 GLU A 29 10.548 -5.668 -5.650 1.00 0.00 O ATOM 0 H GLU A 29 11.510 -8.928 -1.002 1.00 0.00 H new ATOM 0 HA GLU A 29 9.146 -7.769 -1.361 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.509 -7.298 -2.392 1.00 0.00 H new ATOM 0 HB3 GLU A 29 10.927 -8.217 -3.766 1.00 0.00 H new ATOM 0 HG2 GLU A 29 8.993 -6.649 -3.967 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.633 -5.714 -2.629 1.00 0.00 H new ATOM 406 N GLU A 30 9.276 -10.397 -3.349 1.00 0.00 N ATOM 407 CA GLU A 30 8.462 -11.298 -4.157 1.00 0.00 C ATOM 408 C GLU A 30 7.297 -11.855 -3.344 1.00 0.00 C ATOM 409 O GLU A 30 6.133 -11.649 -3.687 1.00 0.00 O ATOM 410 CB GLU A 30 9.317 -12.447 -4.697 1.00 0.00 C ATOM 411 CG GLU A 30 10.765 -12.063 -4.946 1.00 0.00 C ATOM 412 CD GLU A 30 11.479 -13.040 -5.860 1.00 0.00 C ATOM 413 OE1 GLU A 30 11.857 -14.130 -5.385 1.00 0.00 O ATOM 414 OE2 GLU A 30 11.658 -12.713 -7.052 1.00 0.00 O ATOM 0 H GLU A 30 10.246 -10.691 -3.235 1.00 0.00 H new ATOM 0 HA GLU A 30 8.059 -10.729 -4.995 1.00 0.00 H new ATOM 0 HB2 GLU A 30 9.286 -13.275 -3.989 1.00 0.00 H new ATOM 0 HB3 GLU A 30 8.880 -12.807 -5.628 1.00 0.00 H new ATOM 0 HG2 GLU A 30 10.802 -11.066 -5.386 1.00 0.00 H new ATOM 0 HG3 GLU A 30 11.292 -12.011 -3.993 1.00 0.00 H new ATOM 421 N ALA A 31 7.619 -12.561 -2.265 1.00 0.00 N ATOM 422 CA ALA A 31 6.600 -13.146 -1.403 1.00 0.00 C ATOM 423 C ALA A 31 5.678 -12.072 -0.836 1.00 0.00 C ATOM 424 O ALA A 31 4.455 -12.168 -0.948 1.00 0.00 O ATOM 425 CB ALA A 31 7.252 -13.934 -0.276 1.00 0.00 C ATOM 0 H ALA A 31 8.578 -12.742 -1.967 1.00 0.00 H new ATOM 0 HA ALA A 31 5.996 -13.825 -2.005 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.480 -14.366 0.360 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.864 -14.732 -0.697 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.881 -13.269 0.316 1.00 0.00 H new ATOM 431 N LEU A 32 6.271 -11.052 -0.227 1.00 0.00 N ATOM 432 CA LEU A 32 5.502 -9.959 0.359 1.00 0.00 C ATOM 433 C LEU A 32 4.472 -9.425 -0.633 1.00 0.00 C ATOM 434 O LEU A 32 3.294 -9.289 -0.306 1.00 0.00 O ATOM 435 CB LEU A 32 6.436 -8.830 0.799 1.00 0.00 C ATOM 436 CG LEU A 32 5.789 -7.695 1.593 1.00 0.00 C ATOM 437 CD1 LEU A 32 6.851 -6.754 2.141 1.00 0.00 C ATOM 438 CD2 LEU A 32 4.797 -6.935 0.725 1.00 0.00 C ATOM 0 H LEU A 32 7.282 -10.958 -0.126 1.00 0.00 H new ATOM 0 HA LEU A 32 4.974 -10.346 1.231 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.234 -9.261 1.404 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.903 -8.405 -0.089 1.00 0.00 H new ATOM 0 HG LEU A 32 5.248 -8.128 2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.372 -5.952 2.703 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.523 -7.307 2.798 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.420 -6.328 1.315 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.346 -6.131 1.307 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.315 -6.513 -0.136 1.00 0.00 H new ATOM 0 HD23 LEU A 32 4.018 -7.616 0.382 1.00 0.00 H new ATOM 450 N GLY A 33 4.926 -9.126 -1.846 1.00 0.00 N ATOM 451 CA GLY A 33 4.032 -8.613 -2.867 1.00 0.00 C ATOM 452 C GLY A 33 2.916 -9.584 -3.202 1.00 0.00 C ATOM 453 O GLY A 33 1.738 -9.241 -3.109 1.00 0.00 O ATOM 0 H GLY A 33 5.897 -9.230 -2.140 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.600 -7.671 -2.528 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.603 -8.395 -3.770 1.00 0.00 H new ATOM 457 N GLU A 34 3.289 -10.798 -3.594 1.00 0.00 N ATOM 458 CA GLU A 34 2.310 -11.820 -3.946 1.00 0.00 C ATOM 459 C GLU A 34 1.275 -11.988 -2.837 1.00 0.00 C ATOM 460 O GLU A 34 0.211 -12.569 -3.048 1.00 0.00 O ATOM 461 CB GLU A 34 3.007 -13.156 -4.214 1.00 0.00 C ATOM 462 CG GLU A 34 3.639 -13.246 -5.593 1.00 0.00 C ATOM 463 CD GLU A 34 4.200 -14.624 -5.887 1.00 0.00 C ATOM 464 OE1 GLU A 34 4.752 -15.251 -4.960 1.00 0.00 O ATOM 465 OE2 GLU A 34 4.085 -15.075 -7.047 1.00 0.00 O ATOM 0 H GLU A 34 4.261 -11.098 -3.676 1.00 0.00 H new ATOM 0 HA GLU A 34 1.797 -11.497 -4.852 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.778 -13.312 -3.459 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.283 -13.963 -4.102 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.894 -12.992 -6.347 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.437 -12.508 -5.672 1.00 0.00 H new ATOM 472 N VAL A 35 1.596 -11.474 -1.653 1.00 0.00 N ATOM 473 CA VAL A 35 0.696 -11.566 -0.510 1.00 0.00 C ATOM 474 C VAL A 35 -0.317 -10.426 -0.515 1.00 0.00 C ATOM 475 O VAL A 35 -1.430 -10.567 -0.007 1.00 0.00 O ATOM 476 CB VAL A 35 1.472 -11.542 0.820 1.00 0.00 C ATOM 477 CG1 VAL A 35 0.517 -11.646 1.998 1.00 0.00 C ATOM 478 CG2 VAL A 35 2.501 -12.662 0.856 1.00 0.00 C ATOM 0 H VAL A 35 2.473 -10.990 -1.461 1.00 0.00 H new ATOM 0 HA VAL A 35 0.170 -12.517 -0.598 1.00 0.00 H new ATOM 0 HB VAL A 35 2.000 -10.592 0.895 1.00 0.00 H new ATOM 0 HG11 VAL A 35 1.084 -11.627 2.929 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.177 -10.806 1.979 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.042 -12.580 1.932 1.00 0.00 H new ATOM 0 HG21 VAL A 35 3.040 -12.630 1.803 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.996 -13.623 0.758 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.205 -12.536 0.033 1.00 0.00 H new ATOM 488 N LEU A 36 0.076 -9.296 -1.093 1.00 0.00 N ATOM 489 CA LEU A 36 -0.797 -8.130 -1.166 1.00 0.00 C ATOM 490 C LEU A 36 -1.560 -8.102 -2.487 1.00 0.00 C ATOM 491 O LEU A 36 -2.738 -7.748 -2.526 1.00 0.00 O ATOM 492 CB LEU A 36 0.019 -6.846 -1.008 1.00 0.00 C ATOM 493 CG LEU A 36 0.941 -6.782 0.209 1.00 0.00 C ATOM 494 CD1 LEU A 36 1.905 -5.612 0.088 1.00 0.00 C ATOM 495 CD2 LEU A 36 0.127 -6.674 1.490 1.00 0.00 C ATOM 0 H LEU A 36 0.994 -9.163 -1.518 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.519 -8.197 -0.352 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.624 -6.711 -1.905 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.672 -6.004 -0.960 1.00 0.00 H new ATOM 0 HG LEU A 36 1.523 -7.703 0.248 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.553 -5.583 0.964 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.512 -5.732 -0.809 1.00 0.00 H new ATOM 0 HD13 LEU A 36 1.341 -4.681 0.023 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.800 -6.630 2.346 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.481 -5.770 1.459 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.522 -7.545 1.583 1.00 0.00 H new ATOM 507 N GLN A 37 -0.881 -8.480 -3.564 1.00 0.00 N ATOM 508 CA GLN A 37 -1.496 -8.500 -4.886 1.00 0.00 C ATOM 509 C GLN A 37 -2.825 -9.246 -4.857 1.00 0.00 C ATOM 510 O GLN A 37 -3.650 -9.099 -5.759 1.00 0.00 O ATOM 511 CB GLN A 37 -0.554 -9.152 -5.900 1.00 0.00 C ATOM 512 CG GLN A 37 -0.425 -10.657 -5.731 1.00 0.00 C ATOM 513 CD GLN A 37 -1.704 -11.394 -6.076 1.00 0.00 C ATOM 514 OE1 GLN A 37 -2.428 -11.010 -6.995 1.00 0.00 O ATOM 515 NE2 GLN A 37 -1.990 -12.461 -5.339 1.00 0.00 N ATOM 0 H GLN A 37 0.095 -8.777 -3.548 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.685 -7.469 -5.186 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.913 -8.937 -6.907 1.00 0.00 H new ATOM 0 HB3 GLN A 37 0.433 -8.699 -5.810 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.383 -11.022 -6.365 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -0.148 -10.881 -4.701 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -1.362 -12.744 -4.587 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -2.838 -12.997 -5.525 1.00 0.00 H new ATOM 524 N GLN A 38 -3.027 -10.047 -3.815 1.00 0.00 N ATOM 525 CA GLN A 38 -4.256 -10.816 -3.670 1.00 0.00 C ATOM 526 C GLN A 38 -5.475 -9.900 -3.669 1.00 0.00 C ATOM 527 O GLN A 38 -6.475 -10.178 -4.332 1.00 0.00 O ATOM 528 CB GLN A 38 -4.220 -11.637 -2.380 1.00 0.00 C ATOM 529 CG GLN A 38 -4.604 -10.842 -1.142 1.00 0.00 C ATOM 530 CD GLN A 38 -4.591 -11.684 0.119 1.00 0.00 C ATOM 531 OE1 GLN A 38 -5.539 -11.660 0.905 1.00 0.00 O ATOM 532 NE2 GLN A 38 -3.514 -12.435 0.319 1.00 0.00 N ATOM 0 H GLN A 38 -2.355 -10.180 -3.059 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.333 -11.493 -4.521 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -4.896 -12.486 -2.481 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.217 -12.042 -2.245 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.915 -10.006 -1.023 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.598 -10.418 -1.281 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.752 -12.424 -0.359 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.449 -13.023 1.150 1.00 0.00 H new ATOM 541 N PHE A 39 -5.386 -8.805 -2.921 1.00 0.00 N ATOM 542 CA PHE A 39 -6.482 -7.847 -2.833 1.00 0.00 C ATOM 543 C PHE A 39 -6.569 -7.002 -4.101 1.00 0.00 C ATOM 544 O PHE A 39 -7.630 -6.479 -4.439 1.00 0.00 O ATOM 545 CB PHE A 39 -6.299 -6.941 -1.614 1.00 0.00 C ATOM 546 CG PHE A 39 -6.169 -7.694 -0.321 1.00 0.00 C ATOM 547 CD1 PHE A 39 -7.293 -8.029 0.417 1.00 0.00 C ATOM 548 CD2 PHE A 39 -4.923 -8.067 0.156 1.00 0.00 C ATOM 549 CE1 PHE A 39 -7.177 -8.723 1.607 1.00 0.00 C ATOM 550 CE2 PHE A 39 -4.801 -8.761 1.345 1.00 0.00 C ATOM 551 CZ PHE A 39 -5.929 -9.088 2.072 1.00 0.00 C ATOM 0 H PHE A 39 -4.566 -8.559 -2.367 1.00 0.00 H new ATOM 0 HA PHE A 39 -7.412 -8.405 -2.725 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.410 -6.327 -1.758 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -7.149 -6.262 -1.546 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -8.271 -7.745 0.058 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -4.037 -7.813 -0.407 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -8.061 -8.979 2.172 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -3.824 -9.047 1.706 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.835 -9.628 3.002 1.00 0.00 H new ATOM 561 N GLY A 40 -5.444 -6.873 -4.798 1.00 0.00 N ATOM 562 CA GLY A 40 -5.414 -6.091 -6.019 1.00 0.00 C ATOM 563 C GLY A 40 -4.031 -6.034 -6.638 1.00 0.00 C ATOM 564 O GLY A 40 -3.030 -5.933 -5.928 1.00 0.00 O ATOM 0 H GLY A 40 -4.553 -7.296 -4.538 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.113 -6.519 -6.738 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.755 -5.078 -5.806 1.00 0.00 H new ATOM 568 N ASP A 41 -3.975 -6.102 -7.963 1.00 0.00 N ATOM 569 CA ASP A 41 -2.704 -6.058 -8.677 1.00 0.00 C ATOM 570 C ASP A 41 -1.822 -4.932 -8.149 1.00 0.00 C ATOM 571 O ASP A 41 -2.190 -3.758 -8.216 1.00 0.00 O ATOM 572 CB ASP A 41 -2.944 -5.875 -10.177 1.00 0.00 C ATOM 573 CG ASP A 41 -3.907 -6.902 -10.739 1.00 0.00 C ATOM 574 OD1 ASP A 41 -5.132 -6.662 -10.678 1.00 0.00 O ATOM 575 OD2 ASP A 41 -3.438 -7.944 -11.241 1.00 0.00 O ATOM 0 H ASP A 41 -4.794 -6.188 -8.565 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.190 -7.005 -8.512 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.337 -4.875 -10.360 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -1.993 -5.945 -10.705 1.00 0.00 H new ATOM 580 N LEU A 42 -0.658 -5.296 -7.624 1.00 0.00 N ATOM 581 CA LEU A 42 0.278 -4.315 -7.083 1.00 0.00 C ATOM 582 C LEU A 42 0.992 -3.568 -8.204 1.00 0.00 C ATOM 583 O LEU A 42 1.355 -4.155 -9.224 1.00 0.00 O ATOM 584 CB LEU A 42 1.302 -5.003 -6.179 1.00 0.00 C ATOM 585 CG LEU A 42 0.817 -5.377 -4.778 1.00 0.00 C ATOM 586 CD1 LEU A 42 1.735 -6.418 -4.155 1.00 0.00 C ATOM 587 CD2 LEU A 42 0.733 -4.141 -3.895 1.00 0.00 C ATOM 0 H LEU A 42 -0.339 -6.263 -7.561 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.289 -3.593 -6.495 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.645 -5.910 -6.677 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.167 -4.347 -6.079 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.181 -5.807 -4.863 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.374 -6.672 -3.158 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.744 -7.313 -4.776 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.746 -6.016 -4.083 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.386 -4.426 -2.902 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.718 -3.682 -3.817 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.034 -3.428 -4.333 1.00 0.00 H new ATOM 599 N LYS A 43 1.195 -2.269 -8.007 1.00 0.00 N ATOM 600 CA LYS A 43 1.870 -1.441 -8.999 1.00 0.00 C ATOM 601 C LYS A 43 3.383 -1.495 -8.815 1.00 0.00 C ATOM 602 O LYS A 43 4.131 -1.633 -9.782 1.00 0.00 O ATOM 603 CB LYS A 43 1.384 0.007 -8.900 1.00 0.00 C ATOM 604 CG LYS A 43 2.199 0.980 -9.734 1.00 0.00 C ATOM 605 CD LYS A 43 1.733 1.001 -11.180 1.00 0.00 C ATOM 606 CE LYS A 43 2.320 2.181 -11.939 1.00 0.00 C ATOM 607 NZ LYS A 43 2.321 1.950 -13.410 1.00 0.00 N ATOM 0 H LYS A 43 0.901 -1.767 -7.169 1.00 0.00 H new ATOM 0 HA LYS A 43 1.629 -1.832 -9.987 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.342 0.054 -9.217 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.415 0.321 -7.857 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.118 1.981 -9.310 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.252 0.701 -9.694 1.00 0.00 H new ATOM 0 HD2 LYS A 43 2.023 0.072 -11.670 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.645 1.052 -11.212 1.00 0.00 H new ATOM 0 HE2 LYS A 43 1.746 3.080 -11.713 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.340 2.360 -11.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.729 2.777 -13.891 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 2.890 1.107 -13.629 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.345 1.804 -13.739 1.00 0.00 H new ATOM 621 N TYR A 44 3.826 -1.387 -7.567 1.00 0.00 N ATOM 622 CA TYR A 44 5.250 -1.423 -7.256 1.00 0.00 C ATOM 623 C TYR A 44 5.480 -1.805 -5.797 1.00 0.00 C ATOM 624 O TYR A 44 4.959 -1.162 -4.885 1.00 0.00 O ATOM 625 CB TYR A 44 5.891 -0.065 -7.547 1.00 0.00 C ATOM 626 CG TYR A 44 5.900 0.867 -6.357 1.00 0.00 C ATOM 627 CD1 TYR A 44 6.881 0.767 -5.378 1.00 0.00 C ATOM 628 CD2 TYR A 44 4.927 1.848 -6.210 1.00 0.00 C ATOM 629 CE1 TYR A 44 6.893 1.616 -4.288 1.00 0.00 C ATOM 630 CE2 TYR A 44 4.932 2.702 -5.124 1.00 0.00 C ATOM 631 CZ TYR A 44 5.917 2.582 -4.166 1.00 0.00 C ATOM 632 OH TYR A 44 5.924 3.431 -3.083 1.00 0.00 O ATOM 0 H TYR A 44 3.220 -1.274 -6.755 1.00 0.00 H new ATOM 0 HA TYR A 44 5.715 -2.180 -7.888 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.916 -0.221 -7.884 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.355 0.412 -8.368 1.00 0.00 H new ATOM 0 HD1 TYR A 44 7.648 0.012 -5.471 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.154 1.945 -6.958 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.663 1.523 -3.536 1.00 0.00 H new ATOM 0 HE2 TYR A 44 4.169 3.460 -5.026 1.00 0.00 H new ATOM 0 HH TYR A 44 5.169 4.053 -3.150 1.00 0.00 H new ATOM 642 N VAL A 45 6.265 -2.856 -5.584 1.00 0.00 N ATOM 643 CA VAL A 45 6.566 -3.324 -4.236 1.00 0.00 C ATOM 644 C VAL A 45 8.056 -3.205 -3.933 1.00 0.00 C ATOM 645 O VAL A 45 8.886 -3.833 -4.591 1.00 0.00 O ATOM 646 CB VAL A 45 6.130 -4.788 -4.040 1.00 0.00 C ATOM 647 CG1 VAL A 45 6.618 -5.651 -5.193 1.00 0.00 C ATOM 648 CG2 VAL A 45 6.641 -5.322 -2.710 1.00 0.00 C ATOM 0 H VAL A 45 6.704 -3.399 -6.327 1.00 0.00 H new ATOM 0 HA VAL A 45 6.006 -2.690 -3.548 1.00 0.00 H new ATOM 0 HB VAL A 45 5.041 -4.825 -4.027 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.300 -6.682 -5.036 1.00 0.00 H new ATOM 0 HG12 VAL A 45 6.198 -5.280 -6.128 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.706 -5.611 -5.243 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.324 -6.358 -2.588 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.730 -5.271 -2.692 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.236 -4.720 -1.896 1.00 0.00 H new ATOM 658 N ARG A 46 8.387 -2.394 -2.934 1.00 0.00 N ATOM 659 CA ARG A 46 9.777 -2.191 -2.544 1.00 0.00 C ATOM 660 C ARG A 46 9.953 -2.380 -1.040 1.00 0.00 C ATOM 661 O ARG A 46 9.141 -1.907 -0.245 1.00 0.00 O ATOM 662 CB ARG A 46 10.245 -0.793 -2.951 1.00 0.00 C ATOM 663 CG ARG A 46 11.729 -0.715 -3.270 1.00 0.00 C ATOM 664 CD ARG A 46 12.043 -1.343 -4.619 1.00 0.00 C ATOM 665 NE ARG A 46 13.420 -1.090 -5.033 1.00 0.00 N ATOM 666 CZ ARG A 46 14.475 -1.667 -4.470 1.00 0.00 C ATOM 667 NH1 ARG A 46 14.312 -2.527 -3.474 1.00 0.00 N ATOM 668 NH2 ARG A 46 15.697 -1.385 -4.903 1.00 0.00 N ATOM 0 H ARG A 46 7.712 -1.867 -2.380 1.00 0.00 H new ATOM 0 HA ARG A 46 10.385 -2.934 -3.060 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.677 -0.469 -3.823 1.00 0.00 H new ATOM 0 HB3 ARG A 46 10.018 -0.095 -2.145 1.00 0.00 H new ATOM 0 HG2 ARG A 46 12.048 0.327 -3.270 1.00 0.00 H new ATOM 0 HG3 ARG A 46 12.297 -1.222 -2.490 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.872 -2.418 -4.567 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.360 -0.948 -5.371 1.00 0.00 H new ATOM 0 HE ARG A 46 13.580 -0.434 -5.797 1.00 0.00 H new ATOM 0 HH11 ARG A 46 13.374 -2.747 -3.138 1.00 0.00 H new ATOM 0 HH12 ARG A 46 15.124 -2.969 -3.043 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.827 -0.724 -5.669 1.00 0.00 H new ATOM 0 HH22 ARG A 46 16.507 -1.829 -4.470 1.00 0.00 H new ATOM 682 N VAL A 47 11.020 -3.075 -0.657 1.00 0.00 N ATOM 683 CA VAL A 47 11.303 -3.326 0.752 1.00 0.00 C ATOM 684 C VAL A 47 12.645 -2.727 1.157 1.00 0.00 C ATOM 685 O VAL A 47 13.693 -3.119 0.644 1.00 0.00 O ATOM 686 CB VAL A 47 11.311 -4.834 1.062 1.00 0.00 C ATOM 687 CG1 VAL A 47 12.252 -5.569 0.118 1.00 0.00 C ATOM 688 CG2 VAL A 47 11.701 -5.077 2.512 1.00 0.00 C ATOM 0 H VAL A 47 11.702 -3.474 -1.302 1.00 0.00 H new ATOM 0 HA VAL A 47 10.508 -2.849 1.325 1.00 0.00 H new ATOM 0 HB VAL A 47 10.305 -5.224 0.910 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.244 -6.633 0.352 1.00 0.00 H new ATOM 0 HG12 VAL A 47 11.924 -5.422 -0.911 1.00 0.00 H new ATOM 0 HG13 VAL A 47 13.263 -5.179 0.235 1.00 0.00 H new ATOM 0 HG21 VAL A 47 11.702 -6.148 2.714 1.00 0.00 H new ATOM 0 HG22 VAL A 47 12.697 -4.673 2.694 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.984 -4.584 3.169 1.00 0.00 H new ATOM 698 N VAL A 48 12.606 -1.775 2.084 1.00 0.00 N ATOM 699 CA VAL A 48 13.819 -1.122 2.561 1.00 0.00 C ATOM 700 C VAL A 48 14.752 -2.121 3.236 1.00 0.00 C ATOM 701 O VAL A 48 14.322 -2.929 4.061 1.00 0.00 O ATOM 702 CB VAL A 48 13.494 0.011 3.553 1.00 0.00 C ATOM 703 CG1 VAL A 48 12.545 -0.482 4.635 1.00 0.00 C ATOM 704 CG2 VAL A 48 14.771 0.566 4.165 1.00 0.00 C ATOM 0 H VAL A 48 11.747 -1.439 2.520 1.00 0.00 H new ATOM 0 HA VAL A 48 14.315 -0.699 1.687 1.00 0.00 H new ATOM 0 HB VAL A 48 13.000 0.816 3.009 1.00 0.00 H new ATOM 0 HG11 VAL A 48 12.327 0.332 5.326 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.618 -0.827 4.177 1.00 0.00 H new ATOM 0 HG13 VAL A 48 13.009 -1.305 5.179 1.00 0.00 H new ATOM 0 HG21 VAL A 48 14.522 1.365 4.863 1.00 0.00 H new ATOM 0 HG22 VAL A 48 15.296 -0.229 4.695 1.00 0.00 H new ATOM 0 HG23 VAL A 48 15.411 0.960 3.376 1.00 0.00 H new ATOM 857 N GLY A 58 12.168 -4.652 8.907 1.00 0.00 N ATOM 858 CA GLY A 58 10.839 -5.122 9.250 1.00 0.00 C ATOM 859 C GLY A 58 9.748 -4.213 8.720 1.00 0.00 C ATOM 860 O GLY A 58 8.689 -4.079 9.335 1.00 0.00 O ATOM 0 HA2 GLY A 58 10.697 -6.126 8.850 1.00 0.00 H new ATOM 0 HA3 GLY A 58 10.752 -5.196 10.334 1.00 0.00 H new ATOM 864 N CYS A 59 10.005 -3.585 7.578 1.00 0.00 N ATOM 865 CA CYS A 59 9.037 -2.681 6.967 1.00 0.00 C ATOM 866 C CYS A 59 9.236 -2.612 5.457 1.00 0.00 C ATOM 867 O CYS A 59 10.338 -2.830 4.955 1.00 0.00 O ATOM 868 CB CYS A 59 9.160 -1.283 7.575 1.00 0.00 C ATOM 869 SG CYS A 59 8.817 -1.216 9.349 1.00 0.00 S ATOM 0 H CYS A 59 10.876 -3.685 7.056 1.00 0.00 H new ATOM 0 HA CYS A 59 8.038 -3.069 7.166 1.00 0.00 H new ATOM 0 HB2 CYS A 59 10.168 -0.908 7.396 1.00 0.00 H new ATOM 0 HB3 CYS A 59 8.474 -0.612 7.058 1.00 0.00 H new ATOM 0 HG CYS A 59 8.566 -2.414 9.788 1.00 0.00 H new ATOM 875 N ALA A 60 8.161 -2.309 4.737 1.00 0.00 N ATOM 876 CA ALA A 60 8.217 -2.211 3.284 1.00 0.00 C ATOM 877 C ALA A 60 7.087 -1.338 2.748 1.00 0.00 C ATOM 878 O ALA A 60 6.031 -1.220 3.371 1.00 0.00 O ATOM 879 CB ALA A 60 8.158 -3.596 2.659 1.00 0.00 C ATOM 0 H ALA A 60 7.240 -2.127 5.137 1.00 0.00 H new ATOM 0 HA ALA A 60 9.163 -1.742 3.013 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.201 -3.507 1.573 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.003 -4.189 3.008 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.228 -4.086 2.947 1.00 0.00 H new ATOM 885 N PHE A 61 7.316 -0.726 1.591 1.00 0.00 N ATOM 886 CA PHE A 61 6.317 0.138 0.972 1.00 0.00 C ATOM 887 C PHE A 61 5.881 -0.417 -0.381 1.00 0.00 C ATOM 888 O PHE A 61 6.712 -0.793 -1.206 1.00 0.00 O ATOM 889 CB PHE A 61 6.872 1.553 0.801 1.00 0.00 C ATOM 890 CG PHE A 61 7.489 2.111 2.052 1.00 0.00 C ATOM 891 CD1 PHE A 61 8.825 1.882 2.343 1.00 0.00 C ATOM 892 CD2 PHE A 61 6.734 2.863 2.937 1.00 0.00 C ATOM 893 CE1 PHE A 61 9.394 2.393 3.493 1.00 0.00 C ATOM 894 CE2 PHE A 61 7.299 3.377 4.089 1.00 0.00 C ATOM 895 CZ PHE A 61 8.631 3.143 4.367 1.00 0.00 C ATOM 0 H PHE A 61 8.184 -0.812 1.063 1.00 0.00 H new ATOM 0 HA PHE A 61 5.447 0.173 1.628 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.620 1.548 0.008 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.068 2.213 0.477 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.427 1.298 1.663 1.00 0.00 H new ATOM 0 HD2 PHE A 61 5.692 3.050 2.724 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.436 2.206 3.709 1.00 0.00 H new ATOM 0 HE2 PHE A 61 6.699 3.961 4.771 1.00 0.00 H new ATOM 0 HZ PHE A 61 9.075 3.545 5.265 1.00 0.00 H new ATOM 905 N ALA A 62 4.571 -0.464 -0.600 1.00 0.00 N ATOM 906 CA ALA A 62 4.024 -0.971 -1.852 1.00 0.00 C ATOM 907 C ALA A 62 2.902 -0.074 -2.364 1.00 0.00 C ATOM 908 O ALA A 62 2.493 0.870 -1.688 1.00 0.00 O ATOM 909 CB ALA A 62 3.522 -2.396 -1.670 1.00 0.00 C ATOM 0 H ALA A 62 3.869 -0.157 0.073 1.00 0.00 H new ATOM 0 HA ALA A 62 4.822 -0.971 -2.595 1.00 0.00 H new ATOM 0 HB1 ALA A 62 3.116 -2.762 -2.613 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.348 -3.036 -1.358 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.742 -2.413 -0.909 1.00 0.00 H new ATOM 915 N GLN A 63 2.410 -0.374 -3.561 1.00 0.00 N ATOM 916 CA GLN A 63 1.336 0.407 -4.163 1.00 0.00 C ATOM 917 C GLN A 63 0.334 -0.499 -4.871 1.00 0.00 C ATOM 918 O GLN A 63 0.702 -1.539 -5.420 1.00 0.00 O ATOM 919 CB GLN A 63 1.909 1.424 -5.151 1.00 0.00 C ATOM 920 CG GLN A 63 0.906 2.481 -5.587 1.00 0.00 C ATOM 921 CD GLN A 63 1.158 2.979 -6.996 1.00 0.00 C ATOM 922 OE1 GLN A 63 0.319 2.817 -7.883 1.00 0.00 O ATOM 923 NE2 GLN A 63 2.318 3.590 -7.210 1.00 0.00 N ATOM 0 H GLN A 63 2.738 -1.152 -4.133 1.00 0.00 H new ATOM 0 HA GLN A 63 0.817 0.938 -3.366 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.768 1.916 -4.695 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.274 0.896 -6.032 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -0.101 2.068 -5.527 1.00 0.00 H new ATOM 0 HG3 GLN A 63 0.947 3.323 -4.896 1.00 0.00 H new ATOM 0 HE21 GLN A 63 2.984 3.702 -6.446 1.00 0.00 H new ATOM 0 HE22 GLN A 63 2.543 3.947 -8.139 1.00 0.00 H new ATOM 932 N PHE A 64 -0.933 -0.099 -4.856 1.00 0.00 N ATOM 933 CA PHE A 64 -1.988 -0.876 -5.496 1.00 0.00 C ATOM 934 C PHE A 64 -2.442 -0.212 -6.792 1.00 0.00 C ATOM 935 O PHE A 64 -2.054 0.916 -7.093 1.00 0.00 O ATOM 936 CB PHE A 64 -3.178 -1.037 -4.547 1.00 0.00 C ATOM 937 CG PHE A 64 -3.076 -2.243 -3.657 1.00 0.00 C ATOM 938 CD1 PHE A 64 -2.430 -2.164 -2.434 1.00 0.00 C ATOM 939 CD2 PHE A 64 -3.627 -3.454 -4.043 1.00 0.00 C ATOM 940 CE1 PHE A 64 -2.334 -3.272 -1.614 1.00 0.00 C ATOM 941 CE2 PHE A 64 -3.535 -4.565 -3.227 1.00 0.00 C ATOM 942 CZ PHE A 64 -2.889 -4.474 -2.010 1.00 0.00 C ATOM 0 H PHE A 64 -1.254 0.759 -4.408 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.587 -1.861 -5.735 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.262 -0.144 -3.927 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -4.094 -1.105 -5.134 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -1.997 -1.226 -2.118 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -4.135 -3.531 -4.993 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -1.825 -3.199 -0.664 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -3.968 -5.503 -3.541 1.00 0.00 H new ATOM 0 HZ PHE A 64 -2.818 -5.340 -1.369 1.00 0.00 H new ATOM 952 N MET A 65 -3.267 -0.921 -7.555 1.00 0.00 N ATOM 953 CA MET A 65 -3.776 -0.401 -8.819 1.00 0.00 C ATOM 954 C MET A 65 -5.026 0.444 -8.596 1.00 0.00 C ATOM 955 O MET A 65 -5.278 1.405 -9.324 1.00 0.00 O ATOM 956 CB MET A 65 -4.087 -1.550 -9.780 1.00 0.00 C ATOM 957 CG MET A 65 -2.913 -1.938 -10.664 1.00 0.00 C ATOM 958 SD MET A 65 -2.882 -1.024 -12.218 1.00 0.00 S ATOM 959 CE MET A 65 -1.227 -0.339 -12.175 1.00 0.00 C ATOM 0 H MET A 65 -3.597 -1.857 -7.320 1.00 0.00 H new ATOM 0 HA MET A 65 -3.005 0.232 -9.259 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.400 -2.420 -9.203 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.929 -1.267 -10.412 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.983 -1.761 -10.124 1.00 0.00 H new ATOM 0 HG3 MET A 65 -2.960 -3.006 -10.876 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.280 0.747 -12.255 1.00 0.00 H new ATOM 0 HE2 MET A 65 -0.745 -0.611 -11.236 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.647 -0.736 -13.008 1.00 0.00 H new ATOM 969 N THR A 66 -5.808 0.080 -7.585 1.00 0.00 N ATOM 970 CA THR A 66 -7.033 0.803 -7.267 1.00 0.00 C ATOM 971 C THR A 66 -7.096 1.152 -5.784 1.00 0.00 C ATOM 972 O THR A 66 -6.627 0.391 -4.938 1.00 0.00 O ATOM 973 CB THR A 66 -8.282 -0.015 -7.644 1.00 0.00 C ATOM 974 OG1 THR A 66 -8.219 -1.312 -7.040 1.00 0.00 O ATOM 975 CG2 THR A 66 -8.400 -0.158 -9.153 1.00 0.00 C ATOM 0 H THR A 66 -5.615 -0.712 -6.972 1.00 0.00 H new ATOM 0 HA THR A 66 -7.019 1.722 -7.853 1.00 0.00 H new ATOM 0 HB THR A 66 -9.161 0.514 -7.276 1.00 0.00 H new ATOM 0 HG1 THR A 66 -9.018 -1.825 -7.283 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.290 -0.739 -9.395 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.478 0.830 -9.607 1.00 0.00 H new ATOM 0 HG23 THR A 66 -7.517 -0.667 -9.540 1.00 0.00 H new ATOM 983 N GLN A 67 -7.679 2.306 -5.477 1.00 0.00 N ATOM 984 CA GLN A 67 -7.803 2.755 -4.095 1.00 0.00 C ATOM 985 C GLN A 67 -8.436 1.673 -3.226 1.00 0.00 C ATOM 986 O GLN A 67 -7.915 1.334 -2.164 1.00 0.00 O ATOM 987 CB GLN A 67 -8.639 4.035 -4.025 1.00 0.00 C ATOM 988 CG GLN A 67 -7.863 5.288 -4.398 1.00 0.00 C ATOM 989 CD GLN A 67 -8.761 6.497 -4.580 1.00 0.00 C ATOM 990 OE1 GLN A 67 -9.710 6.467 -5.364 1.00 0.00 O ATOM 991 NE2 GLN A 67 -8.465 7.569 -3.854 1.00 0.00 N ATOM 0 H GLN A 67 -8.073 2.947 -6.166 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.802 2.962 -3.716 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.496 3.936 -4.691 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.032 4.148 -3.015 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -7.127 5.500 -3.622 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.311 5.108 -5.320 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -7.669 7.549 -3.217 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.034 8.412 -3.934 1.00 0.00 H new ATOM 1000 N GLU A 68 -9.561 1.135 -3.685 1.00 0.00 N ATOM 1001 CA GLU A 68 -10.265 0.092 -2.947 1.00 0.00 C ATOM 1002 C GLU A 68 -9.317 -1.044 -2.575 1.00 0.00 C ATOM 1003 O GLU A 68 -9.407 -1.610 -1.486 1.00 0.00 O ATOM 1004 CB GLU A 68 -11.430 -0.452 -3.777 1.00 0.00 C ATOM 1005 CG GLU A 68 -12.594 -0.951 -2.937 1.00 0.00 C ATOM 1006 CD GLU A 68 -13.387 0.179 -2.310 1.00 0.00 C ATOM 1007 OE1 GLU A 68 -13.410 1.282 -2.894 1.00 0.00 O ATOM 1008 OE2 GLU A 68 -13.984 -0.040 -1.235 1.00 0.00 O ATOM 0 H GLU A 68 -10.005 1.403 -4.563 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.656 0.531 -2.029 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.785 0.331 -4.446 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.069 -1.267 -4.404 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -13.256 -1.552 -3.561 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.216 -1.605 -2.151 1.00 0.00 H new ATOM 1015 N ALA A 69 -8.408 -1.372 -3.487 1.00 0.00 N ATOM 1016 CA ALA A 69 -7.442 -2.439 -3.255 1.00 0.00 C ATOM 1017 C ALA A 69 -6.714 -2.241 -1.930 1.00 0.00 C ATOM 1018 O ALA A 69 -6.756 -3.103 -1.053 1.00 0.00 O ATOM 1019 CB ALA A 69 -6.446 -2.508 -4.402 1.00 0.00 C ATOM 0 H ALA A 69 -8.320 -0.914 -4.394 1.00 0.00 H new ATOM 0 HA ALA A 69 -7.985 -3.383 -3.204 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.731 -3.309 -4.215 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -6.977 -2.705 -5.333 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.915 -1.559 -4.481 1.00 0.00 H new ATOM 1025 N ALA A 70 -6.046 -1.101 -1.792 1.00 0.00 N ATOM 1026 CA ALA A 70 -5.309 -0.790 -0.573 1.00 0.00 C ATOM 1027 C ALA A 70 -6.194 -0.946 0.658 1.00 0.00 C ATOM 1028 O ALA A 70 -5.838 -1.647 1.604 1.00 0.00 O ATOM 1029 CB ALA A 70 -4.744 0.621 -0.644 1.00 0.00 C ATOM 0 H ALA A 70 -6.000 -0.377 -2.509 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.483 -1.496 -0.486 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.196 0.840 0.273 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.070 0.701 -1.497 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.560 1.334 -0.758 1.00 0.00 H new ATOM 1035 N GLN A 71 -7.349 -0.287 0.639 1.00 0.00 N ATOM 1036 CA GLN A 71 -8.283 -0.353 1.756 1.00 0.00 C ATOM 1037 C GLN A 71 -8.645 -1.799 2.079 1.00 0.00 C ATOM 1038 O GLN A 71 -8.758 -2.177 3.245 1.00 0.00 O ATOM 1039 CB GLN A 71 -9.550 0.443 1.436 1.00 0.00 C ATOM 1040 CG GLN A 71 -9.289 1.912 1.146 1.00 0.00 C ATOM 1041 CD GLN A 71 -8.214 2.501 2.039 1.00 0.00 C ATOM 1042 OE1 GLN A 71 -8.504 3.280 2.947 1.00 0.00 O ATOM 1043 NE2 GLN A 71 -6.965 2.130 1.786 1.00 0.00 N ATOM 0 H GLN A 71 -7.659 0.298 -0.137 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.798 0.084 2.629 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.044 -0.007 0.574 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.240 0.364 2.276 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -8.992 2.025 0.103 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.214 2.474 1.277 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.770 1.482 1.023 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.200 2.493 2.355 1.00 0.00 H new ATOM 1052 N LYS A 72 -8.826 -2.605 1.038 1.00 0.00 N ATOM 1053 CA LYS A 72 -9.175 -4.010 1.210 1.00 0.00 C ATOM 1054 C LYS A 72 -8.075 -4.756 1.959 1.00 0.00 C ATOM 1055 O LYS A 72 -8.344 -5.714 2.684 1.00 0.00 O ATOM 1056 CB LYS A 72 -9.415 -4.667 -0.151 1.00 0.00 C ATOM 1057 CG LYS A 72 -10.750 -4.301 -0.776 1.00 0.00 C ATOM 1058 CD LYS A 72 -10.947 -4.992 -2.115 1.00 0.00 C ATOM 1059 CE LYS A 72 -12.301 -4.658 -2.721 1.00 0.00 C ATOM 1060 NZ LYS A 72 -13.377 -5.542 -2.195 1.00 0.00 N ATOM 0 H LYS A 72 -8.737 -2.309 0.066 1.00 0.00 H new ATOM 0 HA LYS A 72 -10.091 -4.062 1.799 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.614 -4.378 -0.831 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.361 -5.750 -0.037 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.558 -4.579 -0.099 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.806 -3.221 -0.911 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.156 -4.690 -2.801 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.862 -6.071 -1.985 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.548 -3.618 -2.507 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.248 -4.756 -3.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -14.284 -5.283 -2.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -13.154 -6.532 -2.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.445 -5.430 -1.163 1.00 0.00 H new ATOM 1074 N CYS A 73 -6.836 -4.310 1.780 1.00 0.00 N ATOM 1075 CA CYS A 73 -5.696 -4.935 2.441 1.00 0.00 C ATOM 1076 C CYS A 73 -5.658 -4.571 3.921 1.00 0.00 C ATOM 1077 O CYS A 73 -5.335 -5.405 4.768 1.00 0.00 O ATOM 1078 CB CYS A 73 -4.392 -4.507 1.765 1.00 0.00 C ATOM 1079 SG CYS A 73 -2.904 -5.178 2.542 1.00 0.00 S ATOM 0 H CYS A 73 -6.596 -3.519 1.183 1.00 0.00 H new ATOM 0 HA CYS A 73 -5.805 -6.016 2.355 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.417 -4.820 0.721 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.333 -3.419 1.770 1.00 0.00 H new ATOM 0 HG CYS A 73 -3.192 -5.602 3.737 1.00 0.00 H new ATOM 1085 N LEU A 74 -5.990 -3.322 4.227 1.00 0.00 N ATOM 1086 CA LEU A 74 -5.993 -2.846 5.606 1.00 0.00 C ATOM 1087 C LEU A 74 -6.955 -3.665 6.462 1.00 0.00 C ATOM 1088 O LEU A 74 -6.538 -4.362 7.387 1.00 0.00 O ATOM 1089 CB LEU A 74 -6.381 -1.368 5.656 1.00 0.00 C ATOM 1090 CG LEU A 74 -5.553 -0.427 4.781 1.00 0.00 C ATOM 1091 CD1 LEU A 74 -6.081 0.996 4.878 1.00 0.00 C ATOM 1092 CD2 LEU A 74 -4.085 -0.481 5.180 1.00 0.00 C ATOM 0 H LEU A 74 -6.261 -2.620 3.538 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.986 -2.964 6.007 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.427 -1.278 5.363 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.309 -1.029 6.689 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.640 -0.755 3.745 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.479 1.651 4.248 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.118 1.023 4.543 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -6.025 1.335 5.912 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.511 0.195 4.547 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.980 -0.179 6.222 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.712 -1.498 5.057 1.00 0.00 H new ATOM 1104 N ALA A 75 -8.242 -3.577 6.145 1.00 0.00 N ATOM 1105 CA ALA A 75 -9.262 -4.313 6.882 1.00 0.00 C ATOM 1106 C ALA A 75 -8.815 -5.744 7.158 1.00 0.00 C ATOM 1107 O ALA A 75 -9.234 -6.357 8.139 1.00 0.00 O ATOM 1108 CB ALA A 75 -10.576 -4.307 6.114 1.00 0.00 C ATOM 0 H ALA A 75 -8.603 -3.003 5.383 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.412 -3.816 7.840 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.328 -4.860 6.676 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.911 -3.279 5.974 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.431 -4.777 5.141 1.00 0.00 H new ATOM 1114 N ALA A 76 -7.962 -6.271 6.286 1.00 0.00 N ATOM 1115 CA ALA A 76 -7.457 -7.631 6.437 1.00 0.00 C ATOM 1116 C ALA A 76 -6.153 -7.647 7.228 1.00 0.00 C ATOM 1117 O ALA A 76 -5.831 -8.633 7.890 1.00 0.00 O ATOM 1118 CB ALA A 76 -7.257 -8.274 5.073 1.00 0.00 C ATOM 0 H ALA A 76 -7.606 -5.777 5.468 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.196 -8.207 6.993 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.880 -9.289 5.201 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.209 -8.305 4.542 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.539 -7.690 4.497 1.00 0.00 H new ATOM 1124 N ALA A 77 -5.408 -6.549 7.154 1.00 0.00 N ATOM 1125 CA ALA A 77 -4.140 -6.438 7.864 1.00 0.00 C ATOM 1126 C ALA A 77 -4.364 -6.179 9.350 1.00 0.00 C ATOM 1127 O ALA A 77 -3.594 -6.638 10.193 1.00 0.00 O ATOM 1128 CB ALA A 77 -3.289 -5.333 7.256 1.00 0.00 C ATOM 0 H ALA A 77 -5.661 -5.724 6.610 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.611 -7.386 7.763 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.345 -5.262 7.796 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -3.091 -5.561 6.209 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.820 -4.384 7.327 1.00 0.00 H new ATOM 1134 N SER A 78 -5.423 -5.439 9.664 1.00 0.00 N ATOM 1135 CA SER A 78 -5.746 -5.114 11.048 1.00 0.00 C ATOM 1136 C SER A 78 -6.517 -6.254 11.708 1.00 0.00 C ATOM 1137 O SER A 78 -7.648 -6.556 11.326 1.00 0.00 O ATOM 1138 CB SER A 78 -6.565 -3.824 11.114 1.00 0.00 C ATOM 1139 OG SER A 78 -6.316 -3.123 12.320 1.00 0.00 O ATOM 0 H SER A 78 -6.072 -5.053 8.978 1.00 0.00 H new ATOM 0 HA SER A 78 -4.811 -4.970 11.589 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.318 -3.189 10.263 1.00 0.00 H new ATOM 0 HB3 SER A 78 -7.627 -4.059 11.039 1.00 0.00 H new ATOM 0 HG SER A 78 -6.850 -2.301 12.337 1.00 0.00 H new ATOM 1225 N LEU A 86 -3.292 -10.490 8.975 1.00 0.00 N ATOM 1226 CA LEU A 86 -2.326 -11.190 8.135 1.00 0.00 C ATOM 1227 C LEU A 86 -1.059 -11.517 8.919 1.00 0.00 C ATOM 1228 O LEU A 86 -0.674 -10.785 9.832 1.00 0.00 O ATOM 1229 CB LEU A 86 -1.977 -10.343 6.910 1.00 0.00 C ATOM 1230 CG LEU A 86 -2.897 -10.504 5.700 1.00 0.00 C ATOM 1231 CD1 LEU A 86 -4.272 -9.925 5.994 1.00 0.00 C ATOM 1232 CD2 LEU A 86 -2.287 -9.839 4.474 1.00 0.00 C ATOM 0 HA LEU A 86 -2.779 -12.125 7.805 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -1.979 -9.294 7.206 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -0.960 -10.586 6.603 1.00 0.00 H new ATOM 0 HG LEU A 86 -3.010 -11.568 5.493 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -4.913 -10.049 5.121 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.712 -10.446 6.844 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.178 -8.864 6.228 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -2.955 -9.964 3.622 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.143 -8.776 4.670 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.325 -10.300 4.251 1.00 0.00 H new ATOM 1244 N LYS A 87 -0.412 -12.619 8.556 1.00 0.00 N ATOM 1245 CA LYS A 87 0.814 -13.042 9.222 1.00 0.00 C ATOM 1246 C LYS A 87 1.782 -13.677 8.229 1.00 0.00 C ATOM 1247 O LYS A 87 1.418 -14.595 7.492 1.00 0.00 O ATOM 1248 CB LYS A 87 0.494 -14.033 10.344 1.00 0.00 C ATOM 1249 CG LYS A 87 -0.203 -13.400 11.535 1.00 0.00 C ATOM 1250 CD LYS A 87 0.135 -14.123 12.828 1.00 0.00 C ATOM 1251 CE LYS A 87 -0.904 -13.852 13.906 1.00 0.00 C ATOM 1252 NZ LYS A 87 -2.199 -14.525 13.608 1.00 0.00 N ATOM 0 H LYS A 87 -0.717 -13.236 7.803 1.00 0.00 H new ATOM 0 HA LYS A 87 1.288 -12.159 9.650 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.136 -14.828 9.946 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.420 -14.498 10.681 1.00 0.00 H new ATOM 0 HG2 LYS A 87 0.090 -12.353 11.615 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.282 -13.418 11.378 1.00 0.00 H new ATOM 0 HD2 LYS A 87 0.196 -15.195 12.641 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.117 -13.804 13.179 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.528 -14.198 14.869 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -1.065 -12.778 13.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -2.755 -14.610 14.483 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -2.731 -13.963 12.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 -2.017 -15.472 13.220 1.00 0.00 H new ATOM 1266 N LEU A 88 3.015 -13.184 8.214 1.00 0.00 N ATOM 1267 CA LEU A 88 4.036 -13.705 7.312 1.00 0.00 C ATOM 1268 C LEU A 88 5.220 -14.266 8.094 1.00 0.00 C ATOM 1269 O LEU A 88 6.072 -13.517 8.573 1.00 0.00 O ATOM 1270 CB LEU A 88 4.514 -12.605 6.362 1.00 0.00 C ATOM 1271 CG LEU A 88 5.153 -13.078 5.055 1.00 0.00 C ATOM 1272 CD1 LEU A 88 4.098 -13.237 3.972 1.00 0.00 C ATOM 1273 CD2 LEU A 88 6.236 -12.106 4.609 1.00 0.00 C ATOM 0 H LEU A 88 3.332 -12.424 8.816 1.00 0.00 H new ATOM 0 HA LEU A 88 3.593 -14.513 6.730 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.663 -11.969 6.118 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.236 -11.983 6.892 1.00 0.00 H new ATOM 0 HG LEU A 88 5.614 -14.050 5.229 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.571 -13.574 3.050 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.358 -13.972 4.290 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.607 -12.279 3.799 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.680 -12.458 3.678 1.00 0.00 H new ATOM 0 HD22 LEU A 88 5.798 -11.120 4.452 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.007 -12.043 5.377 1.00 0.00 H new ATOM 1285 N ASP A 89 5.267 -15.588 8.219 1.00 0.00 N ATOM 1286 CA ASP A 89 6.347 -16.250 8.940 1.00 0.00 C ATOM 1287 C ASP A 89 6.201 -16.045 10.445 1.00 0.00 C ATOM 1288 O ASP A 89 7.183 -15.810 11.147 1.00 0.00 O ATOM 1289 CB ASP A 89 7.703 -15.720 8.470 1.00 0.00 C ATOM 1290 CG ASP A 89 8.834 -16.686 8.760 1.00 0.00 C ATOM 1291 OD1 ASP A 89 8.636 -17.905 8.573 1.00 0.00 O ATOM 1292 OD2 ASP A 89 9.918 -16.223 9.172 1.00 0.00 O ATOM 0 H ASP A 89 4.569 -16.222 7.830 1.00 0.00 H new ATOM 0 HA ASP A 89 6.290 -17.318 8.729 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.662 -15.525 7.398 1.00 0.00 H new ATOM 0 HB3 ASP A 89 7.907 -14.768 8.960 1.00 0.00 H new ATOM 1297 N GLY A 90 4.968 -16.136 10.932 1.00 0.00 N ATOM 1298 CA GLY A 90 4.716 -15.957 12.350 1.00 0.00 C ATOM 1299 C GLY A 90 4.925 -14.525 12.800 1.00 0.00 C ATOM 1300 O GLY A 90 5.423 -14.279 13.899 1.00 0.00 O ATOM 0 H GLY A 90 4.139 -16.330 10.370 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.693 -16.260 12.575 1.00 0.00 H new ATOM 0 HA3 GLY A 90 5.375 -16.613 12.919 1.00 0.00 H new ATOM 1304 N ARG A 91 4.545 -13.578 11.949 1.00 0.00 N ATOM 1305 CA ARG A 91 4.696 -12.162 12.264 1.00 0.00 C ATOM 1306 C ARG A 91 3.510 -11.358 11.739 1.00 0.00 C ATOM 1307 O ARG A 91 3.235 -11.353 10.540 1.00 0.00 O ATOM 1308 CB ARG A 91 5.997 -11.621 11.668 1.00 0.00 C ATOM 1309 CG ARG A 91 7.243 -12.311 12.198 1.00 0.00 C ATOM 1310 CD ARG A 91 8.437 -11.369 12.213 1.00 0.00 C ATOM 1311 NE ARG A 91 9.486 -11.829 13.120 1.00 0.00 N ATOM 1312 CZ ARG A 91 10.688 -11.269 13.197 1.00 0.00 C ATOM 1313 NH1 ARG A 91 10.991 -10.234 12.427 1.00 0.00 N ATOM 1314 NH2 ARG A 91 11.589 -11.745 14.047 1.00 0.00 N ATOM 0 H ARG A 91 4.130 -13.765 11.036 1.00 0.00 H new ATOM 0 HA ARG A 91 4.731 -12.059 13.349 1.00 0.00 H new ATOM 0 HB2 ARG A 91 5.964 -11.732 10.584 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.066 -10.554 11.877 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.055 -12.679 13.207 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.471 -13.179 11.579 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.842 -11.281 11.205 1.00 0.00 H new ATOM 0 HD3 ARG A 91 8.110 -10.373 12.513 1.00 0.00 H new ATOM 0 HE ARG A 91 9.284 -12.623 13.727 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.300 -9.865 11.773 1.00 0.00 H new ATOM 0 HH12 ARG A 91 11.915 -9.806 12.488 1.00 0.00 H new ATOM 0 HH21 ARG A 91 11.359 -12.541 14.641 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.512 -11.315 14.106 1.00 0.00 H new ATOM 1328 N GLN A 92 2.812 -10.682 12.646 1.00 0.00 N ATOM 1329 CA GLN A 92 1.656 -9.876 12.274 1.00 0.00 C ATOM 1330 C GLN A 92 2.059 -8.746 11.333 1.00 0.00 C ATOM 1331 O GLN A 92 2.927 -7.934 11.657 1.00 0.00 O ATOM 1332 CB GLN A 92 0.985 -9.301 13.523 1.00 0.00 C ATOM 1333 CG GLN A 92 -0.508 -9.067 13.359 1.00 0.00 C ATOM 1334 CD GLN A 92 -0.819 -7.912 12.427 1.00 0.00 C ATOM 1335 OE1 GLN A 92 0.020 -7.040 12.200 1.00 0.00 O ATOM 1336 NE2 GLN A 92 -2.030 -7.900 11.883 1.00 0.00 N ATOM 0 H GLN A 92 3.027 -10.677 13.643 1.00 0.00 H new ATOM 0 HA GLN A 92 0.948 -10.521 11.754 1.00 0.00 H new ATOM 0 HB2 GLN A 92 1.148 -9.982 14.359 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.466 -8.358 13.782 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.974 -9.974 12.975 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.950 -8.870 14.336 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -2.694 -8.644 12.099 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.297 -7.147 11.249 1.00 0.00 H new ATOM 1345 N LEU A 93 1.425 -8.699 10.167 1.00 0.00 N ATOM 1346 CA LEU A 93 1.719 -7.668 9.177 1.00 0.00 C ATOM 1347 C LEU A 93 0.839 -6.441 9.393 1.00 0.00 C ATOM 1348 O LEU A 93 -0.388 -6.537 9.405 1.00 0.00 O ATOM 1349 CB LEU A 93 1.512 -8.216 7.764 1.00 0.00 C ATOM 1350 CG LEU A 93 2.234 -9.524 7.439 1.00 0.00 C ATOM 1351 CD1 LEU A 93 1.839 -10.023 6.058 1.00 0.00 C ATOM 1352 CD2 LEU A 93 3.742 -9.337 7.529 1.00 0.00 C ATOM 0 H LEU A 93 0.704 -9.362 9.883 1.00 0.00 H new ATOM 0 HA LEU A 93 2.761 -7.371 9.295 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.444 -8.365 7.607 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.837 -7.458 7.051 1.00 0.00 H new ATOM 0 HG LEU A 93 1.936 -10.273 8.172 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.363 -10.955 5.844 1.00 0.00 H new ATOM 0 HD12 LEU A 93 0.763 -10.196 6.028 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.107 -9.276 5.311 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.240 -10.278 7.295 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.057 -8.573 6.818 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.010 -9.026 8.539 1.00 0.00 H new ATOM 1364 N LYS A 94 1.475 -5.286 9.561 1.00 0.00 N ATOM 1365 CA LYS A 94 0.752 -4.038 9.772 1.00 0.00 C ATOM 1366 C LYS A 94 0.764 -3.181 8.510 1.00 0.00 C ATOM 1367 O LYS A 94 1.769 -2.546 8.189 1.00 0.00 O ATOM 1368 CB LYS A 94 1.367 -3.259 10.937 1.00 0.00 C ATOM 1369 CG LYS A 94 0.753 -3.593 12.285 1.00 0.00 C ATOM 1370 CD LYS A 94 0.938 -2.459 13.279 1.00 0.00 C ATOM 1371 CE LYS A 94 0.761 -2.938 14.711 1.00 0.00 C ATOM 1372 NZ LYS A 94 0.782 -1.808 15.681 1.00 0.00 N ATOM 0 H LYS A 94 2.490 -5.189 9.555 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.282 -4.283 10.013 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.437 -3.463 10.974 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.252 -2.191 10.750 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.310 -3.799 12.160 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.210 -4.501 12.679 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.932 -2.027 13.159 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.219 -1.668 13.068 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -0.183 -3.475 14.800 1.00 0.00 H new ATOM 0 HE3 LYS A 94 1.554 -3.644 14.958 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.658 -2.176 16.646 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.693 -1.310 15.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.010 -1.147 15.461 1.00 0.00 H new ATOM 1386 N VAL A 95 -0.358 -3.167 7.799 1.00 0.00 N ATOM 1387 CA VAL A 95 -0.477 -2.386 6.573 1.00 0.00 C ATOM 1388 C VAL A 95 -1.295 -1.121 6.805 1.00 0.00 C ATOM 1389 O VAL A 95 -2.416 -1.178 7.312 1.00 0.00 O ATOM 1390 CB VAL A 95 -1.130 -3.207 5.446 1.00 0.00 C ATOM 1391 CG1 VAL A 95 -1.106 -2.431 4.138 1.00 0.00 C ATOM 1392 CG2 VAL A 95 -0.431 -4.549 5.291 1.00 0.00 C ATOM 0 H VAL A 95 -1.198 -3.688 8.050 1.00 0.00 H new ATOM 0 HA VAL A 95 0.534 -2.111 6.273 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.171 -3.393 5.712 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.572 -3.027 3.353 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.655 -1.497 4.259 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.074 -2.212 3.864 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -0.906 -5.116 4.490 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.619 -4.386 5.048 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.505 -5.108 6.224 1.00 0.00 H new ATOM 1402 N ASP A 96 -0.729 0.021 6.430 1.00 0.00 N ATOM 1403 CA ASP A 96 -1.406 1.301 6.595 1.00 0.00 C ATOM 1404 C ASP A 96 -1.200 2.188 5.371 1.00 0.00 C ATOM 1405 O ASP A 96 -0.139 2.162 4.745 1.00 0.00 O ATOM 1406 CB ASP A 96 -0.896 2.015 7.848 1.00 0.00 C ATOM 1407 CG ASP A 96 -1.855 3.081 8.339 1.00 0.00 C ATOM 1408 OD1 ASP A 96 -3.054 2.771 8.503 1.00 0.00 O ATOM 1409 OD2 ASP A 96 -1.408 4.226 8.559 1.00 0.00 O ATOM 0 H ASP A 96 0.198 0.086 6.009 1.00 0.00 H new ATOM 0 HA ASP A 96 -2.473 1.107 6.705 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -0.735 1.283 8.639 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.071 2.471 7.634 1.00 0.00 H new ATOM 1414 N LEU A 97 -2.220 2.969 5.034 1.00 0.00 N ATOM 1415 CA LEU A 97 -2.151 3.863 3.883 1.00 0.00 C ATOM 1416 C LEU A 97 -1.048 4.901 4.065 1.00 0.00 C ATOM 1417 O LEU A 97 -1.228 5.896 4.768 1.00 0.00 O ATOM 1418 CB LEU A 97 -3.495 4.562 3.674 1.00 0.00 C ATOM 1419 CG LEU A 97 -3.673 5.292 2.342 1.00 0.00 C ATOM 1420 CD1 LEU A 97 -2.355 5.898 1.886 1.00 0.00 C ATOM 1421 CD2 LEU A 97 -4.221 4.345 1.285 1.00 0.00 C ATOM 0 H LEU A 97 -3.105 3.002 5.541 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.919 3.264 3.002 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.287 3.818 3.766 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.637 5.281 4.481 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.391 6.100 2.485 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.501 6.413 0.937 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -2.003 6.608 2.634 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.615 5.107 1.760 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.341 4.881 0.344 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.527 3.516 1.144 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.187 3.958 1.609 1.00 0.00 H new ATOM 1433 N ALA A 98 0.093 4.663 3.426 1.00 0.00 N ATOM 1434 CA ALA A 98 1.223 5.579 3.514 1.00 0.00 C ATOM 1435 C ALA A 98 1.097 6.707 2.495 1.00 0.00 C ATOM 1436 O ALA A 98 0.091 6.812 1.792 1.00 0.00 O ATOM 1437 CB ALA A 98 2.530 4.827 3.311 1.00 0.00 C ATOM 0 H ALA A 98 0.259 3.843 2.842 1.00 0.00 H new ATOM 0 HA ALA A 98 1.222 6.022 4.510 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.365 5.524 3.379 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.632 4.061 4.080 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.530 4.356 2.328 1.00 0.00 H new ATOM 1443 N VAL A 99 2.122 7.549 2.420 1.00 0.00 N ATOM 1444 CA VAL A 99 2.126 8.669 1.486 1.00 0.00 C ATOM 1445 C VAL A 99 3.522 8.910 0.923 1.00 0.00 C ATOM 1446 O VAL A 99 4.491 9.048 1.671 1.00 0.00 O ATOM 1447 CB VAL A 99 1.625 9.961 2.158 1.00 0.00 C ATOM 1448 CG1 VAL A 99 1.744 11.140 1.204 1.00 0.00 C ATOM 1449 CG2 VAL A 99 0.190 9.792 2.633 1.00 0.00 C ATOM 0 H VAL A 99 2.961 7.477 2.995 1.00 0.00 H new ATOM 0 HA VAL A 99 1.450 8.406 0.672 1.00 0.00 H new ATOM 0 HB VAL A 99 2.250 10.164 3.028 1.00 0.00 H new ATOM 0 HG11 VAL A 99 1.385 12.044 1.696 1.00 0.00 H new ATOM 0 HG12 VAL A 99 2.787 11.272 0.918 1.00 0.00 H new ATOM 0 HG13 VAL A 99 1.145 10.950 0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -0.148 10.714 3.105 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.451 9.565 1.781 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.139 8.976 3.353 1.00 0.00 H new