USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=8 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= 0.258 X(o=0.26,f=-0.03) USER MOD Single : A 24 SER OG : rot -90:sc= -0.696 USER MOD Single : A 27 SER OG : rot -157:sc= -3.79! USER MOD Single : A 37 GLN : amide:sc= -0.147 K(o=-0.15,f=-1.4!) USER MOD Single : A 38 GLN : amide:sc= -0.0123 X(o=-0.012,f=-0.0031) 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 -28:sc= -0.635! USER MOD Single : A 63 GLN : amide:sc= -1.41 K(o=-1.4,f=-2.7!) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 67 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 71 GLN : amide:sc= -6.12! K(o=-6.1!,f=-1.3) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 CYS SG : rot -160:sc= -10.6! 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= -4.88 K(o=-4.9,f=-9.1!) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 167 N GLY A 15 -3.408 7.946 -5.722 1.00 0.00 N ATOM 168 CA GLY A 15 -3.446 8.149 -4.285 1.00 0.00 C ATOM 169 C GLY A 15 -3.643 6.854 -3.522 1.00 0.00 C ATOM 170 O GLY A 15 -4.429 6.795 -2.576 1.00 0.00 O ATOM 0 HA2 GLY A 15 -2.517 8.619 -3.963 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -4.254 8.838 -4.040 1.00 0.00 H new ATOM 174 N LYS A 16 -2.927 5.813 -3.933 1.00 0.00 N ATOM 175 CA LYS A 16 -3.026 4.512 -3.282 1.00 0.00 C ATOM 176 C LYS A 16 -1.658 4.041 -2.798 1.00 0.00 C ATOM 177 O LYS A 16 -0.737 3.853 -3.593 1.00 0.00 O ATOM 178 CB LYS A 16 -3.621 3.481 -4.244 1.00 0.00 C ATOM 179 CG LYS A 16 -4.601 4.074 -5.240 1.00 0.00 C ATOM 180 CD LYS A 16 -4.705 3.223 -6.495 1.00 0.00 C ATOM 181 CE LYS A 16 -5.456 3.949 -7.601 1.00 0.00 C ATOM 182 NZ LYS A 16 -4.543 4.770 -8.443 1.00 0.00 N ATOM 0 H LYS A 16 -2.272 5.845 -4.714 1.00 0.00 H new ATOM 0 HA LYS A 16 -3.683 4.615 -2.418 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -2.812 2.995 -4.789 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -4.126 2.707 -3.667 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -5.584 4.162 -4.777 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -4.284 5.082 -5.508 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -3.705 2.963 -6.843 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -5.215 2.288 -6.261 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -5.972 3.222 -8.228 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -6.220 4.590 -7.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -5.092 5.249 -9.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -4.069 5.481 -7.850 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -3.829 4.155 -8.883 1.00 0.00 H new ATOM 196 N THR A 17 -1.532 3.850 -1.488 1.00 0.00 N ATOM 197 CA THR A 17 -0.277 3.401 -0.898 1.00 0.00 C ATOM 198 C THR A 17 -0.524 2.380 0.206 1.00 0.00 C ATOM 199 O THR A 17 -1.636 2.263 0.721 1.00 0.00 O ATOM 200 CB THR A 17 0.527 4.581 -0.321 1.00 0.00 C ATOM 201 OG1 THR A 17 0.981 5.430 -1.381 1.00 0.00 O ATOM 202 CG2 THR A 17 1.718 4.083 0.483 1.00 0.00 C ATOM 0 H THR A 17 -2.284 3.999 -0.816 1.00 0.00 H new ATOM 0 HA THR A 17 0.300 2.936 -1.697 1.00 0.00 H new ATOM 0 HB THR A 17 -0.127 5.147 0.342 1.00 0.00 H new ATOM 0 HG1 THR A 17 1.490 6.179 -1.005 1.00 0.00 H new ATOM 0 HG21 THR A 17 2.270 4.935 0.880 1.00 0.00 H new ATOM 0 HG22 THR A 17 1.367 3.462 1.307 1.00 0.00 H new ATOM 0 HG23 THR A 17 2.372 3.495 -0.161 1.00 0.00 H new ATOM 210 N VAL A 18 0.521 1.642 0.567 1.00 0.00 N ATOM 211 CA VAL A 18 0.419 0.631 1.613 1.00 0.00 C ATOM 212 C VAL A 18 1.778 0.352 2.243 1.00 0.00 C ATOM 213 O VAL A 18 2.709 -0.089 1.568 1.00 0.00 O ATOM 214 CB VAL A 18 -0.161 -0.687 1.065 1.00 0.00 C ATOM 215 CG1 VAL A 18 -1.419 -0.419 0.252 1.00 0.00 C ATOM 216 CG2 VAL A 18 0.878 -1.419 0.230 1.00 0.00 C ATOM 0 H VAL A 18 1.448 1.725 0.150 1.00 0.00 H new ATOM 0 HA VAL A 18 -0.255 1.028 2.372 1.00 0.00 H new ATOM 0 HB VAL A 18 -0.431 -1.324 1.907 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.815 -1.361 -0.127 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -2.166 0.060 0.885 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -1.179 0.236 -0.585 1.00 0.00 H new ATOM 0 HG21 VAL A 18 0.452 -2.348 -0.149 1.00 0.00 H new ATOM 0 HG22 VAL A 18 1.181 -0.790 -0.607 1.00 0.00 H new ATOM 0 HG23 VAL A 18 1.748 -1.645 0.847 1.00 0.00 H new ATOM 226 N PHE A 19 1.887 0.611 3.542 1.00 0.00 N ATOM 227 CA PHE A 19 3.134 0.388 4.264 1.00 0.00 C ATOM 228 C PHE A 19 2.993 -0.770 5.248 1.00 0.00 C ATOM 229 O PHE A 19 2.068 -0.799 6.061 1.00 0.00 O ATOM 230 CB PHE A 19 3.550 1.658 5.010 1.00 0.00 C ATOM 231 CG PHE A 19 4.820 1.501 5.797 1.00 0.00 C ATOM 232 CD1 PHE A 19 6.013 1.202 5.161 1.00 0.00 C ATOM 233 CD2 PHE A 19 4.819 1.654 7.175 1.00 0.00 C ATOM 234 CE1 PHE A 19 7.183 1.058 5.883 1.00 0.00 C ATOM 235 CE2 PHE A 19 5.986 1.511 7.901 1.00 0.00 C ATOM 236 CZ PHE A 19 7.169 1.212 7.255 1.00 0.00 C ATOM 0 H PHE A 19 1.127 0.976 4.116 1.00 0.00 H new ATOM 0 HA PHE A 19 3.905 0.132 3.537 1.00 0.00 H new ATOM 0 HB2 PHE A 19 3.675 2.468 4.291 1.00 0.00 H new ATOM 0 HB3 PHE A 19 2.747 1.953 5.686 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.030 1.080 4.088 1.00 0.00 H new ATOM 0 HD2 PHE A 19 3.897 1.887 7.686 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.107 0.825 5.374 1.00 0.00 H new ATOM 0 HE2 PHE A 19 5.973 1.633 8.974 1.00 0.00 H new ATOM 0 HZ PHE A 19 8.081 1.099 7.822 1.00 0.00 H new ATOM 246 N ILE A 20 3.916 -1.722 5.169 1.00 0.00 N ATOM 247 CA ILE A 20 3.896 -2.881 6.052 1.00 0.00 C ATOM 248 C ILE A 20 4.879 -2.712 7.205 1.00 0.00 C ATOM 249 O ILE A 20 6.034 -2.339 6.999 1.00 0.00 O ATOM 250 CB ILE A 20 4.235 -4.176 5.289 1.00 0.00 C ATOM 251 CG1 ILE A 20 3.419 -4.261 3.998 1.00 0.00 C ATOM 252 CG2 ILE A 20 3.975 -5.391 6.168 1.00 0.00 C ATOM 253 CD1 ILE A 20 4.107 -3.634 2.806 1.00 0.00 C ATOM 0 H ILE A 20 4.688 -1.713 4.502 1.00 0.00 H new ATOM 0 HA ILE A 20 2.884 -2.957 6.449 1.00 0.00 H new ATOM 0 HB ILE A 20 5.293 -4.161 5.027 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.211 -5.308 3.778 1.00 0.00 H new ATOM 0 HG13 ILE A 20 2.458 -3.770 4.152 1.00 0.00 H new ATOM 0 HG21 ILE A 20 4.219 -6.299 5.616 1.00 0.00 H new ATOM 0 HG22 ILE A 20 4.595 -5.333 7.062 1.00 0.00 H new ATOM 0 HG23 ILE A 20 2.924 -5.413 6.456 1.00 0.00 H new ATOM 0 HD11 ILE A 20 3.471 -3.731 1.926 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.291 -2.578 3.006 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.055 -4.140 2.626 1.00 0.00 H new ATOM 265 N ARG A 21 4.413 -2.989 8.418 1.00 0.00 N ATOM 266 CA ARG A 21 5.251 -2.868 9.605 1.00 0.00 C ATOM 267 C ARG A 21 5.383 -4.211 10.317 1.00 0.00 C ATOM 268 O ARG A 21 4.478 -5.042 10.266 1.00 0.00 O ATOM 269 CB ARG A 21 4.670 -1.825 10.562 1.00 0.00 C ATOM 270 CG ARG A 21 5.188 -0.417 10.316 1.00 0.00 C ATOM 271 CD ARG A 21 4.569 0.580 11.284 1.00 0.00 C ATOM 272 NE ARG A 21 5.284 0.624 12.556 1.00 0.00 N ATOM 273 CZ ARG A 21 6.543 1.032 12.679 1.00 0.00 C ATOM 274 NH1 ARG A 21 7.221 1.430 11.611 1.00 0.00 N ATOM 275 NH2 ARG A 21 7.125 1.043 13.871 1.00 0.00 N ATOM 0 H ARG A 21 3.459 -3.299 8.605 1.00 0.00 H new ATOM 0 HA ARG A 21 6.243 -2.546 9.287 1.00 0.00 H new ATOM 0 HB2 ARG A 21 3.584 -1.825 10.470 1.00 0.00 H new ATOM 0 HB3 ARG A 21 4.903 -2.115 11.587 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.273 -0.403 10.422 1.00 0.00 H new ATOM 0 HG3 ARG A 21 4.964 -0.119 9.292 1.00 0.00 H new ATOM 0 HD2 ARG A 21 4.571 1.572 10.833 1.00 0.00 H new ATOM 0 HD3 ARG A 21 3.527 0.313 11.463 1.00 0.00 H new ATOM 0 HE ARG A 21 4.790 0.325 13.397 1.00 0.00 H new ATOM 0 HH11 ARG A 21 6.776 1.423 10.693 1.00 0.00 H new ATOM 0 HH12 ARG A 21 8.187 1.743 11.708 1.00 0.00 H new ATOM 0 HH21 ARG A 21 6.606 0.738 14.695 1.00 0.00 H new ATOM 0 HH22 ARG A 21 8.091 1.356 13.964 1.00 0.00 H new ATOM 289 N ASN A 22 6.516 -4.414 10.981 1.00 0.00 N ATOM 290 CA ASN A 22 6.767 -5.657 11.702 1.00 0.00 C ATOM 291 C ASN A 22 6.999 -6.812 10.733 1.00 0.00 C ATOM 292 O ASN A 22 6.415 -7.886 10.880 1.00 0.00 O ATOM 293 CB ASN A 22 5.591 -5.980 12.627 1.00 0.00 C ATOM 294 CG ASN A 22 5.973 -6.945 13.732 1.00 0.00 C ATOM 295 OD1 ASN A 22 6.631 -6.568 14.701 1.00 0.00 O ATOM 296 ND2 ASN A 22 5.561 -8.200 13.590 1.00 0.00 N ATOM 0 H ASN A 22 7.275 -3.734 11.035 1.00 0.00 H new ATOM 0 HA ASN A 22 7.667 -5.524 12.302 1.00 0.00 H new ATOM 0 HB2 ASN A 22 5.215 -5.057 13.068 1.00 0.00 H new ATOM 0 HB3 ASN A 22 4.778 -6.407 12.040 1.00 0.00 H new ATOM 0 HD21 ASN A 22 5.788 -8.895 14.301 1.00 0.00 H new ATOM 0 HD22 ASN A 22 5.017 -8.469 12.770 1.00 0.00 H new ATOM 303 N LEU A 23 7.855 -6.583 9.743 1.00 0.00 N ATOM 304 CA LEU A 23 8.165 -7.605 8.749 1.00 0.00 C ATOM 305 C LEU A 23 9.160 -8.619 9.304 1.00 0.00 C ATOM 306 O LEU A 23 10.010 -8.284 10.129 1.00 0.00 O ATOM 307 CB LEU A 23 8.731 -6.958 7.484 1.00 0.00 C ATOM 308 CG LEU A 23 7.717 -6.265 6.573 1.00 0.00 C ATOM 309 CD1 LEU A 23 8.428 -5.419 5.529 1.00 0.00 C ATOM 310 CD2 LEU A 23 6.812 -7.290 5.905 1.00 0.00 C ATOM 0 H LEU A 23 8.346 -5.700 9.607 1.00 0.00 H new ATOM 0 HA LEU A 23 7.242 -8.128 8.500 1.00 0.00 H new ATOM 0 HB2 LEU A 23 9.483 -6.227 7.780 1.00 0.00 H new ATOM 0 HB3 LEU A 23 9.244 -7.726 6.905 1.00 0.00 H new ATOM 0 HG LEU A 23 7.099 -5.607 7.184 1.00 0.00 H new ATOM 0 HD11 LEU A 23 7.690 -4.934 4.890 1.00 0.00 H new ATOM 0 HD12 LEU A 23 9.033 -4.660 6.026 1.00 0.00 H new ATOM 0 HD13 LEU A 23 9.071 -6.056 4.922 1.00 0.00 H new ATOM 0 HD21 LEU A 23 6.097 -6.779 5.261 1.00 0.00 H new ATOM 0 HD22 LEU A 23 7.415 -7.973 5.307 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.275 -7.853 6.668 1.00 0.00 H new ATOM 322 N SER A 24 9.049 -9.862 8.844 1.00 0.00 N ATOM 323 CA SER A 24 9.938 -10.926 9.295 1.00 0.00 C ATOM 324 C SER A 24 11.262 -10.886 8.538 1.00 0.00 C ATOM 325 O SER A 24 11.302 -10.564 7.350 1.00 0.00 O ATOM 326 CB SER A 24 9.271 -12.290 9.106 1.00 0.00 C ATOM 327 OG SER A 24 9.866 -13.268 9.941 1.00 0.00 O ATOM 0 H SER A 24 8.352 -10.156 8.160 1.00 0.00 H new ATOM 0 HA SER A 24 10.141 -10.771 10.355 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.207 -12.213 9.332 1.00 0.00 H new ATOM 0 HB3 SER A 24 9.354 -12.598 8.064 1.00 0.00 H new ATOM 0 HG SER A 24 10.603 -13.702 9.463 1.00 0.00 H new ATOM 333 N PHE A 25 12.345 -11.214 9.235 1.00 0.00 N ATOM 334 CA PHE A 25 13.672 -11.215 8.630 1.00 0.00 C ATOM 335 C PHE A 25 13.714 -12.131 7.411 1.00 0.00 C ATOM 336 O PHE A 25 14.633 -12.056 6.596 1.00 0.00 O ATOM 337 CB PHE A 25 14.721 -11.658 9.652 1.00 0.00 C ATOM 338 CG PHE A 25 15.306 -10.523 10.442 1.00 0.00 C ATOM 339 CD1 PHE A 25 16.103 -9.572 9.826 1.00 0.00 C ATOM 340 CD2 PHE A 25 15.059 -10.406 11.800 1.00 0.00 C ATOM 341 CE1 PHE A 25 16.644 -8.526 10.550 1.00 0.00 C ATOM 342 CE2 PHE A 25 15.596 -9.362 12.530 1.00 0.00 C ATOM 343 CZ PHE A 25 16.389 -8.421 11.903 1.00 0.00 C ATOM 0 H PHE A 25 12.330 -11.482 10.219 1.00 0.00 H new ATOM 0 HA PHE A 25 13.897 -10.199 8.306 1.00 0.00 H new ATOM 0 HB2 PHE A 25 14.268 -12.373 10.339 1.00 0.00 H new ATOM 0 HB3 PHE A 25 15.524 -12.181 9.133 1.00 0.00 H new ATOM 0 HD1 PHE A 25 16.304 -9.649 8.768 1.00 0.00 H new ATOM 0 HD2 PHE A 25 14.439 -11.139 12.295 1.00 0.00 H new ATOM 0 HE1 PHE A 25 17.265 -7.792 10.058 1.00 0.00 H new ATOM 0 HE2 PHE A 25 15.396 -9.282 13.588 1.00 0.00 H new ATOM 0 HZ PHE A 25 16.809 -7.604 12.470 1.00 0.00 H new ATOM 353 N ASP A 26 12.712 -12.997 7.294 1.00 0.00 N ATOM 354 CA ASP A 26 12.633 -13.928 6.175 1.00 0.00 C ATOM 355 C ASP A 26 11.809 -13.339 5.035 1.00 0.00 C ATOM 356 O ASP A 26 11.901 -13.788 3.893 1.00 0.00 O ATOM 357 CB ASP A 26 12.022 -15.255 6.630 1.00 0.00 C ATOM 358 CG ASP A 26 12.615 -15.747 7.936 1.00 0.00 C ATOM 359 OD1 ASP A 26 12.438 -15.061 8.964 1.00 0.00 O ATOM 360 OD2 ASP A 26 13.255 -16.820 7.929 1.00 0.00 O ATOM 0 H ASP A 26 11.944 -13.073 7.961 1.00 0.00 H new ATOM 0 HA ASP A 26 13.645 -14.108 5.812 1.00 0.00 H new ATOM 0 HB2 ASP A 26 10.945 -15.135 6.746 1.00 0.00 H new ATOM 0 HB3 ASP A 26 12.178 -16.008 5.857 1.00 0.00 H new ATOM 365 N SER A 27 11.003 -12.331 5.353 1.00 0.00 N ATOM 366 CA SER A 27 10.159 -11.683 4.356 1.00 0.00 C ATOM 367 C SER A 27 10.980 -11.257 3.143 1.00 0.00 C ATOM 368 O SER A 27 12.189 -11.051 3.241 1.00 0.00 O ATOM 369 CB SER A 27 9.457 -10.467 4.964 1.00 0.00 C ATOM 370 OG SER A 27 8.576 -10.855 6.005 1.00 0.00 O ATOM 0 H SER A 27 10.917 -11.945 6.293 1.00 0.00 H new ATOM 0 HA SER A 27 9.407 -12.402 4.030 1.00 0.00 H new ATOM 0 HB2 SER A 27 10.200 -9.771 5.353 1.00 0.00 H new ATOM 0 HB3 SER A 27 8.900 -9.940 4.190 1.00 0.00 H new ATOM 0 HG SER A 27 7.891 -10.165 6.128 1.00 0.00 H new ATOM 376 N GLU A 28 10.313 -11.126 2.001 1.00 0.00 N ATOM 377 CA GLU A 28 10.981 -10.725 0.768 1.00 0.00 C ATOM 378 C GLU A 28 10.045 -9.905 -0.115 1.00 0.00 C ATOM 379 O GLU A 28 8.825 -9.969 0.029 1.00 0.00 O ATOM 380 CB GLU A 28 11.472 -11.957 0.004 1.00 0.00 C ATOM 381 CG GLU A 28 12.352 -12.876 0.834 1.00 0.00 C ATOM 382 CD GLU A 28 13.262 -13.739 -0.019 1.00 0.00 C ATOM 383 OE1 GLU A 28 12.799 -14.228 -1.071 1.00 0.00 O ATOM 384 OE2 GLU A 28 14.435 -13.926 0.365 1.00 0.00 O ATOM 0 H GLU A 28 9.311 -11.292 1.904 1.00 0.00 H new ATOM 0 HA GLU A 28 11.838 -10.106 1.033 1.00 0.00 H new ATOM 0 HB2 GLU A 28 10.610 -12.519 -0.355 1.00 0.00 H new ATOM 0 HB3 GLU A 28 12.028 -11.631 -0.875 1.00 0.00 H new ATOM 0 HG2 GLU A 28 12.958 -12.277 1.514 1.00 0.00 H new ATOM 0 HG3 GLU A 28 11.722 -13.517 1.450 1.00 0.00 H new ATOM 391 N GLU A 29 10.628 -9.135 -1.029 1.00 0.00 N ATOM 392 CA GLU A 29 9.847 -8.301 -1.934 1.00 0.00 C ATOM 393 C GLU A 29 8.922 -9.154 -2.799 1.00 0.00 C ATOM 394 O GLU A 29 7.802 -8.751 -3.111 1.00 0.00 O ATOM 395 CB GLU A 29 10.773 -7.470 -2.825 1.00 0.00 C ATOM 396 CG GLU A 29 10.141 -6.182 -3.327 1.00 0.00 C ATOM 397 CD GLU A 29 11.144 -5.262 -3.995 1.00 0.00 C ATOM 398 OE1 GLU A 29 11.809 -4.487 -3.276 1.00 0.00 O ATOM 399 OE2 GLU A 29 11.263 -5.317 -5.237 1.00 0.00 O ATOM 0 H GLU A 29 11.637 -9.072 -1.162 1.00 0.00 H new ATOM 0 HA GLU A 29 9.236 -7.630 -1.331 1.00 0.00 H new ATOM 0 HB2 GLU A 29 11.678 -7.228 -2.268 1.00 0.00 H new ATOM 0 HB3 GLU A 29 11.077 -8.073 -3.681 1.00 0.00 H new ATOM 0 HG2 GLU A 29 9.347 -6.423 -4.034 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.676 -5.660 -2.491 1.00 0.00 H new ATOM 406 N GLU A 30 9.401 -10.333 -3.181 1.00 0.00 N ATOM 407 CA GLU A 30 8.619 -11.242 -4.010 1.00 0.00 C ATOM 408 C GLU A 30 7.406 -11.767 -3.247 1.00 0.00 C ATOM 409 O GLU A 30 6.276 -11.691 -3.728 1.00 0.00 O ATOM 410 CB GLU A 30 9.485 -12.412 -4.481 1.00 0.00 C ATOM 411 CG GLU A 30 8.683 -13.586 -5.017 1.00 0.00 C ATOM 412 CD GLU A 30 8.122 -13.326 -6.402 1.00 0.00 C ATOM 413 OE1 GLU A 30 8.923 -13.102 -7.333 1.00 0.00 O ATOM 414 OE2 GLU A 30 6.883 -13.346 -6.554 1.00 0.00 O ATOM 0 H GLU A 30 10.326 -10.681 -2.930 1.00 0.00 H new ATOM 0 HA GLU A 30 8.267 -10.687 -4.880 1.00 0.00 H new ATOM 0 HB2 GLU A 30 10.163 -12.061 -5.259 1.00 0.00 H new ATOM 0 HB3 GLU A 30 10.102 -12.754 -3.650 1.00 0.00 H new ATOM 0 HG2 GLU A 30 9.318 -14.472 -5.047 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.863 -13.804 -4.332 1.00 0.00 H new ATOM 421 N ALA A 31 7.651 -12.301 -2.055 1.00 0.00 N ATOM 422 CA ALA A 31 6.580 -12.838 -1.224 1.00 0.00 C ATOM 423 C ALA A 31 5.627 -11.735 -0.776 1.00 0.00 C ATOM 424 O ALA A 31 4.422 -11.805 -1.020 1.00 0.00 O ATOM 425 CB ALA A 31 7.160 -13.560 -0.017 1.00 0.00 C ATOM 0 H ALA A 31 8.581 -12.373 -1.643 1.00 0.00 H new ATOM 0 HA ALA A 31 6.013 -13.551 -1.822 1.00 0.00 H new ATOM 0 HB1 ALA A 31 6.349 -13.956 0.595 1.00 0.00 H new ATOM 0 HB2 ALA A 31 7.794 -14.380 -0.354 1.00 0.00 H new ATOM 0 HB3 ALA A 31 7.753 -12.862 0.574 1.00 0.00 H new ATOM 431 N LEU A 32 6.174 -10.718 -0.119 1.00 0.00 N ATOM 432 CA LEU A 32 5.373 -9.599 0.364 1.00 0.00 C ATOM 433 C LEU A 32 4.324 -9.195 -0.668 1.00 0.00 C ATOM 434 O LEU A 32 3.134 -9.126 -0.365 1.00 0.00 O ATOM 435 CB LEU A 32 6.271 -8.405 0.689 1.00 0.00 C ATOM 436 CG LEU A 32 5.577 -7.192 1.310 1.00 0.00 C ATOM 437 CD1 LEU A 32 6.603 -6.183 1.800 1.00 0.00 C ATOM 438 CD2 LEU A 32 4.630 -6.549 0.308 1.00 0.00 C ATOM 0 H LEU A 32 7.169 -10.645 0.091 1.00 0.00 H new ATOM 0 HA LEU A 32 4.860 -9.917 1.272 1.00 0.00 H new ATOM 0 HB2 LEU A 32 7.053 -8.739 1.371 1.00 0.00 H new ATOM 0 HB3 LEU A 32 6.764 -8.086 -0.229 1.00 0.00 H new ATOM 0 HG LEU A 32 4.993 -7.530 2.166 1.00 0.00 H new ATOM 0 HD11 LEU A 32 6.091 -5.327 2.239 1.00 0.00 H new ATOM 0 HD12 LEU A 32 7.241 -6.648 2.552 1.00 0.00 H new ATOM 0 HD13 LEU A 32 7.214 -5.849 0.962 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.145 -5.688 0.767 1.00 0.00 H new ATOM 0 HD22 LEU A 32 5.192 -6.225 -0.568 1.00 0.00 H new ATOM 0 HD23 LEU A 32 3.873 -7.273 0.006 1.00 0.00 H new ATOM 450 N GLY A 33 4.775 -8.931 -1.891 1.00 0.00 N ATOM 451 CA GLY A 33 3.863 -8.539 -2.949 1.00 0.00 C ATOM 452 C GLY A 33 2.803 -9.588 -3.219 1.00 0.00 C ATOM 453 O GLY A 33 1.618 -9.271 -3.315 1.00 0.00 O ATOM 0 H GLY A 33 5.756 -8.982 -2.167 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.380 -7.600 -2.679 1.00 0.00 H new ATOM 0 HA3 GLY A 33 4.429 -8.355 -3.862 1.00 0.00 H new ATOM 457 N GLU A 34 3.230 -10.841 -3.342 1.00 0.00 N ATOM 458 CA GLU A 34 2.307 -11.939 -3.605 1.00 0.00 C ATOM 459 C GLU A 34 1.270 -12.057 -2.492 1.00 0.00 C ATOM 460 O GLU A 34 0.254 -12.735 -2.643 1.00 0.00 O ATOM 461 CB GLU A 34 3.074 -13.256 -3.744 1.00 0.00 C ATOM 462 CG GLU A 34 3.522 -13.552 -5.165 1.00 0.00 C ATOM 463 CD GLU A 34 3.914 -15.004 -5.363 1.00 0.00 C ATOM 464 OE1 GLU A 34 4.504 -15.592 -4.432 1.00 0.00 O ATOM 465 OE2 GLU A 34 3.630 -15.552 -6.449 1.00 0.00 O ATOM 0 H GLU A 34 4.208 -11.121 -3.264 1.00 0.00 H new ATOM 0 HA GLU A 34 1.788 -11.728 -4.540 1.00 0.00 H new ATOM 0 HB2 GLU A 34 3.949 -13.227 -3.095 1.00 0.00 H new ATOM 0 HB3 GLU A 34 2.443 -14.073 -3.393 1.00 0.00 H new ATOM 0 HG2 GLU A 34 2.717 -13.299 -5.856 1.00 0.00 H new ATOM 0 HG3 GLU A 34 4.369 -12.913 -5.415 1.00 0.00 H new ATOM 472 N VAL A 35 1.535 -11.391 -1.372 1.00 0.00 N ATOM 473 CA VAL A 35 0.625 -11.420 -0.232 1.00 0.00 C ATOM 474 C VAL A 35 -0.411 -10.306 -0.329 1.00 0.00 C ATOM 475 O VAL A 35 -1.522 -10.431 0.189 1.00 0.00 O ATOM 476 CB VAL A 35 1.388 -11.282 1.099 1.00 0.00 C ATOM 477 CG1 VAL A 35 0.417 -11.228 2.268 1.00 0.00 C ATOM 478 CG2 VAL A 35 2.376 -12.427 1.267 1.00 0.00 C ATOM 0 H VAL A 35 2.372 -10.825 -1.230 1.00 0.00 H new ATOM 0 HA VAL A 35 0.120 -12.386 -0.254 1.00 0.00 H new ATOM 0 HB VAL A 35 1.949 -10.348 1.082 1.00 0.00 H new ATOM 0 HG11 VAL A 35 0.974 -11.130 3.200 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.246 -10.371 2.151 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.174 -12.144 2.293 1.00 0.00 H new ATOM 0 HG21 VAL A 35 2.907 -12.314 2.212 1.00 0.00 H new ATOM 0 HG22 VAL A 35 1.838 -13.375 1.264 1.00 0.00 H new ATOM 0 HG23 VAL A 35 3.092 -12.413 0.445 1.00 0.00 H new ATOM 488 N LEU A 36 -0.042 -9.218 -0.995 1.00 0.00 N ATOM 489 CA LEU A 36 -0.940 -8.080 -1.160 1.00 0.00 C ATOM 490 C LEU A 36 -1.638 -8.131 -2.516 1.00 0.00 C ATOM 491 O LEU A 36 -2.699 -7.534 -2.700 1.00 0.00 O ATOM 492 CB LEU A 36 -0.166 -6.769 -1.021 1.00 0.00 C ATOM 493 CG LEU A 36 0.661 -6.610 0.255 1.00 0.00 C ATOM 494 CD1 LEU A 36 1.419 -5.292 0.240 1.00 0.00 C ATOM 495 CD2 LEU A 36 -0.232 -6.699 1.484 1.00 0.00 C ATOM 0 H LEU A 36 0.873 -9.099 -1.430 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.698 -8.130 -0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.502 -6.672 -1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -0.876 -5.944 -1.075 1.00 0.00 H new ATOM 0 HG LEU A 36 1.387 -7.422 0.298 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.002 -5.197 1.156 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.088 -5.267 -0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.711 -4.466 0.173 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.374 -6.584 2.383 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -0.981 -5.908 1.447 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.729 -7.669 1.503 1.00 0.00 H new ATOM 507 N GLN A 37 -1.037 -8.848 -3.459 1.00 0.00 N ATOM 508 CA GLN A 37 -1.602 -8.976 -4.797 1.00 0.00 C ATOM 509 C GLN A 37 -2.977 -9.634 -4.746 1.00 0.00 C ATOM 510 O GLN A 37 -3.872 -9.281 -5.514 1.00 0.00 O ATOM 511 CB GLN A 37 -0.667 -9.792 -5.692 1.00 0.00 C ATOM 512 CG GLN A 37 0.481 -8.981 -6.271 1.00 0.00 C ATOM 513 CD GLN A 37 0.975 -9.531 -7.595 1.00 0.00 C ATOM 514 OE1 GLN A 37 0.204 -10.093 -8.373 1.00 0.00 O ATOM 515 NE2 GLN A 37 2.267 -9.371 -7.858 1.00 0.00 N ATOM 0 H GLN A 37 -0.159 -9.349 -3.322 1.00 0.00 H new ATOM 0 HA GLN A 37 -1.713 -7.975 -5.215 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -0.260 -10.623 -5.116 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -1.245 -10.223 -6.509 1.00 0.00 H new ATOM 0 HG2 GLN A 37 0.159 -7.949 -6.408 1.00 0.00 H new ATOM 0 HG3 GLN A 37 1.305 -8.965 -5.558 1.00 0.00 H new ATOM 0 HE21 GLN A 37 2.870 -8.899 -7.184 1.00 0.00 H new ATOM 0 HE22 GLN A 37 2.656 -9.720 -8.734 1.00 0.00 H new ATOM 524 N GLN A 38 -3.137 -10.590 -3.837 1.00 0.00 N ATOM 525 CA GLN A 38 -4.404 -11.297 -3.687 1.00 0.00 C ATOM 526 C GLN A 38 -5.577 -10.323 -3.713 1.00 0.00 C ATOM 527 O GLN A 38 -6.635 -10.624 -4.267 1.00 0.00 O ATOM 528 CB GLN A 38 -4.416 -12.094 -2.382 1.00 0.00 C ATOM 529 CG GLN A 38 -4.669 -11.239 -1.150 1.00 0.00 C ATOM 530 CD GLN A 38 -4.619 -12.040 0.136 1.00 0.00 C ATOM 531 OE1 GLN A 38 -5.629 -12.199 0.822 1.00 0.00 O ATOM 532 NE2 GLN A 38 -3.439 -12.550 0.470 1.00 0.00 N ATOM 0 H GLN A 38 -2.406 -10.893 -3.193 1.00 0.00 H new ATOM 0 HA GLN A 38 -4.509 -11.985 -4.526 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -5.184 -12.865 -2.443 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -3.460 -12.605 -2.269 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -3.926 -10.442 -1.107 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -5.645 -10.761 -1.238 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -2.628 -12.393 -0.128 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.344 -13.098 1.325 1.00 0.00 H new ATOM 541 N PHE A 39 -5.383 -9.154 -3.111 1.00 0.00 N ATOM 542 CA PHE A 39 -6.426 -8.136 -3.064 1.00 0.00 C ATOM 543 C PHE A 39 -6.576 -7.448 -4.418 1.00 0.00 C ATOM 544 O PHE A 39 -7.683 -7.310 -4.937 1.00 0.00 O ATOM 545 CB PHE A 39 -6.108 -7.099 -1.985 1.00 0.00 C ATOM 546 CG PHE A 39 -5.914 -7.695 -0.620 1.00 0.00 C ATOM 547 CD1 PHE A 39 -4.674 -8.173 -0.228 1.00 0.00 C ATOM 548 CD2 PHE A 39 -6.971 -7.775 0.272 1.00 0.00 C ATOM 549 CE1 PHE A 39 -4.493 -8.722 1.027 1.00 0.00 C ATOM 550 CE2 PHE A 39 -6.796 -8.323 1.529 1.00 0.00 C ATOM 551 CZ PHE A 39 -5.555 -8.796 1.907 1.00 0.00 C ATOM 0 H PHE A 39 -4.513 -8.888 -2.649 1.00 0.00 H new ATOM 0 HA PHE A 39 -7.368 -8.627 -2.819 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -5.206 -6.557 -2.268 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -6.917 -6.370 -1.943 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -3.839 -8.116 -0.911 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -7.943 -7.405 -0.018 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -3.522 -9.093 1.320 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -7.629 -8.381 2.214 1.00 0.00 H new ATOM 0 HZ PHE A 39 -5.415 -9.223 2.889 1.00 0.00 H new ATOM 561 N GLY A 40 -5.453 -7.018 -4.984 1.00 0.00 N ATOM 562 CA GLY A 40 -5.480 -6.350 -6.272 1.00 0.00 C ATOM 563 C GLY A 40 -4.100 -6.217 -6.886 1.00 0.00 C ATOM 564 O GLY A 40 -3.099 -6.563 -6.259 1.00 0.00 O ATOM 0 H GLY A 40 -4.525 -7.120 -4.574 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -6.125 -6.906 -6.953 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -5.919 -5.359 -6.155 1.00 0.00 H new ATOM 568 N ASP A 41 -4.047 -5.717 -8.116 1.00 0.00 N ATOM 569 CA ASP A 41 -2.780 -5.540 -8.815 1.00 0.00 C ATOM 570 C ASP A 41 -1.873 -4.575 -8.060 1.00 0.00 C ATOM 571 O ASP A 41 -2.279 -3.463 -7.717 1.00 0.00 O ATOM 572 CB ASP A 41 -3.024 -5.026 -10.235 1.00 0.00 C ATOM 573 CG ASP A 41 -3.654 -6.075 -11.130 1.00 0.00 C ATOM 574 OD1 ASP A 41 -4.731 -6.595 -10.768 1.00 0.00 O ATOM 575 OD2 ASP A 41 -3.072 -6.374 -12.193 1.00 0.00 O ATOM 0 H ASP A 41 -4.867 -5.427 -8.649 1.00 0.00 H new ATOM 0 HA ASP A 41 -2.284 -6.509 -8.868 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -3.672 -4.150 -10.195 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -2.078 -4.703 -10.669 1.00 0.00 H new ATOM 580 N LEU A 42 -0.643 -5.005 -7.803 1.00 0.00 N ATOM 581 CA LEU A 42 0.323 -4.179 -7.087 1.00 0.00 C ATOM 582 C LEU A 42 1.190 -3.387 -8.060 1.00 0.00 C ATOM 583 O LEU A 42 2.088 -3.936 -8.698 1.00 0.00 O ATOM 584 CB LEU A 42 1.207 -5.052 -6.193 1.00 0.00 C ATOM 585 CG LEU A 42 0.644 -5.384 -4.811 1.00 0.00 C ATOM 586 CD1 LEU A 42 1.362 -6.585 -4.217 1.00 0.00 C ATOM 587 CD2 LEU A 42 0.756 -4.181 -3.886 1.00 0.00 C ATOM 0 H LEU A 42 -0.291 -5.921 -8.080 1.00 0.00 H new ATOM 0 HA LEU A 42 -0.229 -3.474 -6.465 1.00 0.00 H new ATOM 0 HB2 LEU A 42 1.407 -5.987 -6.716 1.00 0.00 H new ATOM 0 HB3 LEU A 42 2.165 -4.549 -6.062 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.411 -5.635 -4.920 1.00 0.00 H new ATOM 0 HD11 LEU A 42 0.948 -6.807 -3.233 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.229 -7.448 -4.870 1.00 0.00 H new ATOM 0 HD13 LEU A 42 2.425 -6.363 -4.122 1.00 0.00 H new ATOM 0 HD21 LEU A 42 0.350 -4.436 -2.907 1.00 0.00 H new ATOM 0 HD22 LEU A 42 1.804 -3.898 -3.782 1.00 0.00 H new ATOM 0 HD23 LEU A 42 0.194 -3.346 -4.305 1.00 0.00 H new ATOM 599 N LYS A 43 0.915 -2.091 -8.169 1.00 0.00 N ATOM 600 CA LYS A 43 1.671 -1.221 -9.062 1.00 0.00 C ATOM 601 C LYS A 43 3.172 -1.435 -8.888 1.00 0.00 C ATOM 602 O LYS A 43 3.899 -1.620 -9.865 1.00 0.00 O ATOM 603 CB LYS A 43 1.320 0.245 -8.796 1.00 0.00 C ATOM 604 CG LYS A 43 2.182 1.227 -9.571 1.00 0.00 C ATOM 605 CD LYS A 43 1.620 1.488 -10.958 1.00 0.00 C ATOM 606 CE LYS A 43 2.599 2.274 -11.817 1.00 0.00 C ATOM 607 NZ LYS A 43 2.097 2.452 -13.208 1.00 0.00 N ATOM 0 H LYS A 43 0.174 -1.620 -7.650 1.00 0.00 H new ATOM 0 HA LYS A 43 1.402 -1.473 -10.088 1.00 0.00 H new ATOM 0 HB2 LYS A 43 0.274 0.412 -9.052 1.00 0.00 H new ATOM 0 HB3 LYS A 43 1.423 0.447 -7.730 1.00 0.00 H new ATOM 0 HG2 LYS A 43 2.249 2.166 -9.022 1.00 0.00 H new ATOM 0 HG3 LYS A 43 3.195 0.835 -9.656 1.00 0.00 H new ATOM 0 HD2 LYS A 43 1.389 0.539 -11.443 1.00 0.00 H new ATOM 0 HD3 LYS A 43 0.683 2.039 -10.874 1.00 0.00 H new ATOM 0 HE2 LYS A 43 2.774 3.251 -11.366 1.00 0.00 H new ATOM 0 HE3 LYS A 43 3.558 1.757 -11.840 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 2.792 2.992 -13.762 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 1.953 1.520 -13.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 1.194 2.968 -13.188 1.00 0.00 H new ATOM 621 N TYR A 44 3.628 -1.409 -7.641 1.00 0.00 N ATOM 622 CA TYR A 44 5.042 -1.600 -7.341 1.00 0.00 C ATOM 623 C TYR A 44 5.237 -2.036 -5.892 1.00 0.00 C ATOM 624 O TYR A 44 4.615 -1.493 -4.979 1.00 0.00 O ATOM 625 CB TYR A 44 5.819 -0.309 -7.606 1.00 0.00 C ATOM 626 CG TYR A 44 5.903 0.605 -6.404 1.00 0.00 C ATOM 627 CD1 TYR A 44 6.657 0.254 -5.291 1.00 0.00 C ATOM 628 CD2 TYR A 44 5.228 1.819 -6.381 1.00 0.00 C ATOM 629 CE1 TYR A 44 6.736 1.085 -4.191 1.00 0.00 C ATOM 630 CE2 TYR A 44 5.302 2.657 -5.286 1.00 0.00 C ATOM 631 CZ TYR A 44 6.058 2.286 -4.193 1.00 0.00 C ATOM 632 OH TYR A 44 6.133 3.118 -3.099 1.00 0.00 O ATOM 0 H TYR A 44 3.039 -1.258 -6.822 1.00 0.00 H new ATOM 0 HA TYR A 44 5.423 -2.386 -7.992 1.00 0.00 H new ATOM 0 HB2 TYR A 44 6.828 -0.562 -7.930 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.345 0.228 -8.428 1.00 0.00 H new ATOM 0 HD1 TYR A 44 7.191 -0.685 -5.286 1.00 0.00 H new ATOM 0 HD2 TYR A 44 4.635 2.113 -7.235 1.00 0.00 H new ATOM 0 HE1 TYR A 44 7.326 0.796 -3.334 1.00 0.00 H new ATOM 0 HE2 TYR A 44 4.771 3.598 -5.285 1.00 0.00 H new ATOM 0 HH TYR A 44 5.599 3.923 -3.263 1.00 0.00 H new ATOM 642 N VAL A 45 6.108 -3.020 -5.689 1.00 0.00 N ATOM 643 CA VAL A 45 6.388 -3.529 -4.352 1.00 0.00 C ATOM 644 C VAL A 45 7.864 -3.373 -4.003 1.00 0.00 C ATOM 645 O VAL A 45 8.710 -4.121 -4.491 1.00 0.00 O ATOM 646 CB VAL A 45 5.995 -5.013 -4.223 1.00 0.00 C ATOM 647 CG1 VAL A 45 6.407 -5.785 -5.467 1.00 0.00 C ATOM 648 CG2 VAL A 45 6.620 -5.622 -2.977 1.00 0.00 C ATOM 0 H VAL A 45 6.632 -3.480 -6.434 1.00 0.00 H new ATOM 0 HA VAL A 45 5.789 -2.941 -3.657 1.00 0.00 H new ATOM 0 HB VAL A 45 4.911 -5.077 -4.127 1.00 0.00 H new ATOM 0 HG11 VAL A 45 6.121 -6.831 -5.357 1.00 0.00 H new ATOM 0 HG12 VAL A 45 5.909 -5.362 -6.339 1.00 0.00 H new ATOM 0 HG13 VAL A 45 7.487 -5.716 -5.597 1.00 0.00 H new ATOM 0 HG21 VAL A 45 6.332 -6.671 -2.901 1.00 0.00 H new ATOM 0 HG22 VAL A 45 7.706 -5.547 -3.041 1.00 0.00 H new ATOM 0 HG23 VAL A 45 6.271 -5.085 -2.095 1.00 0.00 H new ATOM 658 N ARG A 46 8.165 -2.396 -3.154 1.00 0.00 N ATOM 659 CA ARG A 46 9.539 -2.140 -2.739 1.00 0.00 C ATOM 660 C ARG A 46 9.702 -2.355 -1.237 1.00 0.00 C ATOM 661 O ARG A 46 8.885 -1.893 -0.441 1.00 0.00 O ATOM 662 CB ARG A 46 9.949 -0.714 -3.109 1.00 0.00 C ATOM 663 CG ARG A 46 11.433 -0.563 -3.401 1.00 0.00 C ATOM 664 CD ARG A 46 11.799 -1.165 -4.749 1.00 0.00 C ATOM 665 NE ARG A 46 13.180 -1.640 -4.779 1.00 0.00 N ATOM 666 CZ ARG A 46 13.831 -1.937 -5.898 1.00 0.00 C ATOM 667 NH1 ARG A 46 13.229 -1.808 -7.073 1.00 0.00 N ATOM 668 NH2 ARG A 46 15.086 -2.363 -5.844 1.00 0.00 N ATOM 0 H ARG A 46 7.476 -1.769 -2.740 1.00 0.00 H new ATOM 0 HA ARG A 46 10.187 -2.844 -3.262 1.00 0.00 H new ATOM 0 HB2 ARG A 46 9.381 -0.397 -3.984 1.00 0.00 H new ATOM 0 HB3 ARG A 46 9.678 -0.044 -2.293 1.00 0.00 H new ATOM 0 HG2 ARG A 46 11.702 0.493 -3.388 1.00 0.00 H new ATOM 0 HG3 ARG A 46 12.011 -1.049 -2.615 1.00 0.00 H new ATOM 0 HD2 ARG A 46 11.126 -1.993 -4.971 1.00 0.00 H new ATOM 0 HD3 ARG A 46 11.655 -0.419 -5.530 1.00 0.00 H new ATOM 0 HE ARG A 46 13.671 -1.750 -3.892 1.00 0.00 H new ATOM 0 HH11 ARG A 46 12.264 -1.480 -7.118 1.00 0.00 H new ATOM 0 HH12 ARG A 46 13.731 -2.037 -7.931 1.00 0.00 H new ATOM 0 HH21 ARG A 46 15.552 -2.463 -4.942 1.00 0.00 H new ATOM 0 HH22 ARG A 46 15.585 -2.591 -6.704 1.00 0.00 H new ATOM 682 N VAL A 47 10.763 -3.060 -0.857 1.00 0.00 N ATOM 683 CA VAL A 47 11.034 -3.336 0.549 1.00 0.00 C ATOM 684 C VAL A 47 12.332 -2.674 0.998 1.00 0.00 C ATOM 685 O VAL A 47 13.420 -3.070 0.581 1.00 0.00 O ATOM 686 CB VAL A 47 11.123 -4.850 0.817 1.00 0.00 C ATOM 687 CG1 VAL A 47 12.017 -5.523 -0.213 1.00 0.00 C ATOM 688 CG2 VAL A 47 11.630 -5.112 2.227 1.00 0.00 C ATOM 0 H VAL A 47 11.449 -3.450 -1.503 1.00 0.00 H new ATOM 0 HA VAL A 47 10.202 -2.922 1.119 1.00 0.00 H new ATOM 0 HB VAL A 47 10.124 -5.276 0.729 1.00 0.00 H new ATOM 0 HG11 VAL A 47 12.068 -6.592 -0.007 1.00 0.00 H new ATOM 0 HG12 VAL A 47 11.607 -5.364 -1.210 1.00 0.00 H new ATOM 0 HG13 VAL A 47 13.018 -5.095 -0.161 1.00 0.00 H new ATOM 0 HG21 VAL A 47 11.687 -6.187 2.399 1.00 0.00 H new ATOM 0 HG22 VAL A 47 12.621 -4.673 2.345 1.00 0.00 H new ATOM 0 HG23 VAL A 47 10.946 -4.664 2.948 1.00 0.00 H new ATOM 698 N VAL A 48 12.210 -1.663 1.852 1.00 0.00 N ATOM 699 CA VAL A 48 13.373 -0.946 2.360 1.00 0.00 C ATOM 700 C VAL A 48 14.306 -1.881 3.121 1.00 0.00 C ATOM 701 O VAL A 48 13.905 -2.516 4.098 1.00 0.00 O ATOM 702 CB VAL A 48 12.958 0.213 3.287 1.00 0.00 C ATOM 703 CG1 VAL A 48 12.176 -0.312 4.481 1.00 0.00 C ATOM 704 CG2 VAL A 48 14.181 0.994 3.742 1.00 0.00 C ATOM 0 H VAL A 48 11.317 -1.322 2.207 1.00 0.00 H new ATOM 0 HA VAL A 48 13.897 -0.540 1.495 1.00 0.00 H new ATOM 0 HB VAL A 48 12.311 0.889 2.728 1.00 0.00 H new ATOM 0 HG11 VAL A 48 11.892 0.521 5.124 1.00 0.00 H new ATOM 0 HG12 VAL A 48 11.279 -0.824 4.132 1.00 0.00 H new ATOM 0 HG13 VAL A 48 12.796 -1.010 5.044 1.00 0.00 H new ATOM 0 HG21 VAL A 48 13.870 1.809 4.396 1.00 0.00 H new ATOM 0 HG22 VAL A 48 14.855 0.331 4.284 1.00 0.00 H new ATOM 0 HG23 VAL A 48 14.696 1.403 2.873 1.00 0.00 H new ATOM 857 N GLY A 58 12.690 -4.453 8.406 1.00 0.00 N ATOM 858 CA GLY A 58 11.536 -4.747 9.235 1.00 0.00 C ATOM 859 C GLY A 58 10.270 -4.094 8.718 1.00 0.00 C ATOM 860 O GLY A 58 9.218 -4.172 9.354 1.00 0.00 O ATOM 0 HA2 GLY A 58 11.391 -5.826 9.282 1.00 0.00 H new ATOM 0 HA3 GLY A 58 11.727 -4.407 10.253 1.00 0.00 H new ATOM 864 N CYS A 59 10.370 -3.446 7.562 1.00 0.00 N ATOM 865 CA CYS A 59 9.223 -2.774 6.961 1.00 0.00 C ATOM 866 C CYS A 59 9.386 -2.670 5.448 1.00 0.00 C ATOM 867 O CYS A 59 10.485 -2.834 4.919 1.00 0.00 O ATOM 868 CB CYS A 59 9.049 -1.379 7.564 1.00 0.00 C ATOM 869 SG CYS A 59 9.255 -1.320 9.359 1.00 0.00 S ATOM 0 H CYS A 59 11.233 -3.372 7.023 1.00 0.00 H new ATOM 0 HA CYS A 59 8.333 -3.367 7.173 1.00 0.00 H new ATOM 0 HB2 CYS A 59 9.770 -0.703 7.104 1.00 0.00 H new ATOM 0 HB3 CYS A 59 8.056 -1.006 7.310 1.00 0.00 H new ATOM 0 HG CYS A 59 8.937 -2.472 9.870 1.00 0.00 H new ATOM 875 N ALA A 60 8.284 -2.397 4.756 1.00 0.00 N ATOM 876 CA ALA A 60 8.305 -2.272 3.304 1.00 0.00 C ATOM 877 C ALA A 60 7.179 -1.366 2.816 1.00 0.00 C ATOM 878 O ALA A 60 6.258 -1.044 3.567 1.00 0.00 O ATOM 879 CB ALA A 60 8.202 -3.643 2.654 1.00 0.00 C ATOM 0 H ALA A 60 7.366 -2.258 5.178 1.00 0.00 H new ATOM 0 HA ALA A 60 9.253 -1.817 3.016 1.00 0.00 H new ATOM 0 HB1 ALA A 60 8.219 -3.534 1.570 1.00 0.00 H new ATOM 0 HB2 ALA A 60 9.044 -4.260 2.970 1.00 0.00 H new ATOM 0 HB3 ALA A 60 7.270 -4.120 2.956 1.00 0.00 H new ATOM 885 N PHE A 61 7.260 -0.959 1.554 1.00 0.00 N ATOM 886 CA PHE A 61 6.248 -0.089 0.965 1.00 0.00 C ATOM 887 C PHE A 61 5.712 -0.680 -0.335 1.00 0.00 C ATOM 888 O PHE A 61 6.472 -1.192 -1.157 1.00 0.00 O ATOM 889 CB PHE A 61 6.830 1.302 0.704 1.00 0.00 C ATOM 890 CG PHE A 61 7.559 1.878 1.884 1.00 0.00 C ATOM 891 CD1 PHE A 61 8.874 1.525 2.143 1.00 0.00 C ATOM 892 CD2 PHE A 61 6.929 2.773 2.734 1.00 0.00 C ATOM 893 CE1 PHE A 61 9.546 2.053 3.229 1.00 0.00 C ATOM 894 CE2 PHE A 61 7.597 3.304 3.822 1.00 0.00 C ATOM 895 CZ PHE A 61 8.907 2.945 4.069 1.00 0.00 C ATOM 0 H PHE A 61 8.015 -1.217 0.919 1.00 0.00 H new ATOM 0 HA PHE A 61 5.423 -0.004 1.672 1.00 0.00 H new ATOM 0 HB2 PHE A 61 7.513 1.248 -0.144 1.00 0.00 H new ATOM 0 HB3 PHE A 61 6.023 1.977 0.421 1.00 0.00 H new ATOM 0 HD1 PHE A 61 9.379 0.830 1.489 1.00 0.00 H new ATOM 0 HD2 PHE A 61 5.905 3.059 2.545 1.00 0.00 H new ATOM 0 HE1 PHE A 61 10.570 1.769 3.421 1.00 0.00 H new ATOM 0 HE2 PHE A 61 7.094 3.999 4.478 1.00 0.00 H new ATOM 0 HZ PHE A 61 9.431 3.360 4.917 1.00 0.00 H new ATOM 905 N ALA A 62 4.397 -0.607 -0.514 1.00 0.00 N ATOM 906 CA ALA A 62 3.758 -1.133 -1.713 1.00 0.00 C ATOM 907 C ALA A 62 2.747 -0.140 -2.278 1.00 0.00 C ATOM 908 O ALA A 62 2.415 0.854 -1.633 1.00 0.00 O ATOM 909 CB ALA A 62 3.083 -2.463 -1.412 1.00 0.00 C ATOM 0 H ALA A 62 3.753 -0.188 0.157 1.00 0.00 H new ATOM 0 HA ALA A 62 4.530 -1.292 -2.465 1.00 0.00 H new ATOM 0 HB1 ALA A 62 2.610 -2.844 -2.317 1.00 0.00 H new ATOM 0 HB2 ALA A 62 3.828 -3.178 -1.063 1.00 0.00 H new ATOM 0 HB3 ALA A 62 2.327 -2.321 -0.640 1.00 0.00 H new ATOM 915 N GLN A 63 2.263 -0.417 -3.484 1.00 0.00 N ATOM 916 CA GLN A 63 1.291 0.454 -4.135 1.00 0.00 C ATOM 917 C GLN A 63 0.299 -0.359 -4.961 1.00 0.00 C ATOM 918 O GLN A 63 0.692 -1.157 -5.812 1.00 0.00 O ATOM 919 CB GLN A 63 2.004 1.471 -5.028 1.00 0.00 C ATOM 920 CG GLN A 63 1.206 2.745 -5.256 1.00 0.00 C ATOM 921 CD GLN A 63 1.663 3.508 -6.483 1.00 0.00 C ATOM 922 OE1 GLN A 63 2.704 3.203 -7.066 1.00 0.00 O ATOM 923 NE2 GLN A 63 0.885 4.508 -6.883 1.00 0.00 N ATOM 0 H GLN A 63 2.528 -1.237 -4.030 1.00 0.00 H new ATOM 0 HA GLN A 63 0.740 0.986 -3.359 1.00 0.00 H new ATOM 0 HB2 GLN A 63 2.963 1.728 -4.578 1.00 0.00 H new ATOM 0 HB3 GLN A 63 2.218 1.009 -5.992 1.00 0.00 H new ATOM 0 HG2 GLN A 63 0.150 2.494 -5.361 1.00 0.00 H new ATOM 0 HG3 GLN A 63 1.295 3.387 -4.380 1.00 0.00 H new ATOM 0 HE21 GLN A 63 0.031 4.726 -6.370 1.00 0.00 H new ATOM 0 HE22 GLN A 63 1.142 5.057 -7.703 1.00 0.00 H new ATOM 932 N PHE A 64 -0.988 -0.151 -4.703 1.00 0.00 N ATOM 933 CA PHE A 64 -2.036 -0.865 -5.421 1.00 0.00 C ATOM 934 C PHE A 64 -2.417 -0.129 -6.702 1.00 0.00 C ATOM 935 O PHE A 64 -1.974 0.995 -6.939 1.00 0.00 O ATOM 936 CB PHE A 64 -3.270 -1.034 -4.532 1.00 0.00 C ATOM 937 CG PHE A 64 -3.217 -2.257 -3.661 1.00 0.00 C ATOM 938 CD1 PHE A 64 -2.652 -2.200 -2.397 1.00 0.00 C ATOM 939 CD2 PHE A 64 -3.734 -3.463 -4.105 1.00 0.00 C ATOM 940 CE1 PHE A 64 -2.602 -3.323 -1.594 1.00 0.00 C ATOM 941 CE2 PHE A 64 -3.687 -4.590 -3.306 1.00 0.00 C ATOM 942 CZ PHE A 64 -3.121 -4.520 -2.049 1.00 0.00 C ATOM 0 H PHE A 64 -1.330 0.506 -4.002 1.00 0.00 H new ATOM 0 HA PHE A 64 -1.651 -1.849 -5.688 1.00 0.00 H new ATOM 0 HB2 PHE A 64 -3.377 -0.152 -3.900 1.00 0.00 H new ATOM 0 HB3 PHE A 64 -4.158 -1.084 -5.162 1.00 0.00 H new ATOM 0 HD1 PHE A 64 -2.246 -1.267 -2.035 1.00 0.00 H new ATOM 0 HD2 PHE A 64 -4.179 -3.523 -5.087 1.00 0.00 H new ATOM 0 HE1 PHE A 64 -2.158 -3.265 -0.611 1.00 0.00 H new ATOM 0 HE2 PHE A 64 -4.093 -5.524 -3.665 1.00 0.00 H new ATOM 0 HZ PHE A 64 -3.084 -5.399 -1.422 1.00 0.00 H new ATOM 952 N MET A 65 -3.239 -0.771 -7.525 1.00 0.00 N ATOM 953 CA MET A 65 -3.680 -0.177 -8.782 1.00 0.00 C ATOM 954 C MET A 65 -5.015 0.540 -8.606 1.00 0.00 C ATOM 955 O MET A 65 -5.361 1.430 -9.384 1.00 0.00 O ATOM 956 CB MET A 65 -3.805 -1.253 -9.863 1.00 0.00 C ATOM 957 CG MET A 65 -2.471 -1.675 -10.457 1.00 0.00 C ATOM 958 SD MET A 65 -2.621 -2.253 -12.158 1.00 0.00 S ATOM 959 CE MET A 65 -1.642 -1.026 -13.021 1.00 0.00 C ATOM 0 H MET A 65 -3.613 -1.702 -7.344 1.00 0.00 H new ATOM 0 HA MET A 65 -2.933 0.554 -9.091 1.00 0.00 H new ATOM 0 HB2 MET A 65 -4.297 -2.128 -9.438 1.00 0.00 H new ATOM 0 HB3 MET A 65 -4.448 -0.882 -10.661 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.780 -0.833 -10.423 1.00 0.00 H new ATOM 0 HG3 MET A 65 -2.039 -2.467 -9.845 1.00 0.00 H new ATOM 0 HE1 MET A 65 -1.639 -1.248 -14.088 1.00 0.00 H new ATOM 0 HE2 MET A 65 -2.071 -0.037 -12.857 1.00 0.00 H new ATOM 0 HE3 MET A 65 -0.620 -1.045 -12.643 1.00 0.00 H new ATOM 969 N THR A 66 -5.762 0.148 -7.578 1.00 0.00 N ATOM 970 CA THR A 66 -7.058 0.753 -7.301 1.00 0.00 C ATOM 971 C THR A 66 -7.194 1.110 -5.825 1.00 0.00 C ATOM 972 O THR A 66 -6.884 0.301 -4.951 1.00 0.00 O ATOM 973 CB THR A 66 -8.213 -0.187 -7.699 1.00 0.00 C ATOM 974 OG1 THR A 66 -7.977 -1.500 -7.178 1.00 0.00 O ATOM 975 CG2 THR A 66 -8.358 -0.254 -9.212 1.00 0.00 C ATOM 0 H THR A 66 -5.491 -0.586 -6.924 1.00 0.00 H new ATOM 0 HA THR A 66 -7.117 1.663 -7.899 1.00 0.00 H new ATOM 0 HB THR A 66 -9.137 0.209 -7.279 1.00 0.00 H new ATOM 0 HG1 THR A 66 -8.716 -2.091 -7.434 1.00 0.00 H new ATOM 0 HG21 THR A 66 -9.179 -0.923 -9.470 1.00 0.00 H new ATOM 0 HG22 THR A 66 -8.566 0.742 -9.602 1.00 0.00 H new ATOM 0 HG23 THR A 66 -7.433 -0.629 -9.650 1.00 0.00 H new ATOM 983 N GLN A 67 -7.661 2.325 -5.556 1.00 0.00 N ATOM 984 CA GLN A 67 -7.838 2.788 -4.184 1.00 0.00 C ATOM 985 C GLN A 67 -8.501 1.714 -3.329 1.00 0.00 C ATOM 986 O GLN A 67 -8.008 1.370 -2.256 1.00 0.00 O ATOM 987 CB GLN A 67 -8.676 4.067 -4.160 1.00 0.00 C ATOM 988 CG GLN A 67 -7.856 5.335 -4.332 1.00 0.00 C ATOM 989 CD GLN A 67 -8.713 6.586 -4.352 1.00 0.00 C ATOM 990 OE1 GLN A 67 -8.804 7.274 -5.369 1.00 0.00 O ATOM 991 NE2 GLN A 67 -9.348 6.887 -3.225 1.00 0.00 N ATOM 0 H GLN A 67 -7.923 3.006 -6.269 1.00 0.00 H new ATOM 0 HA GLN A 67 -6.853 3.000 -3.768 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -9.423 4.017 -4.952 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -9.217 4.119 -3.215 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -7.132 5.408 -3.520 1.00 0.00 H new ATOM 0 HG3 GLN A 67 -7.288 5.273 -5.261 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -9.244 6.288 -2.406 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -9.940 7.717 -3.179 1.00 0.00 H new ATOM 1000 N GLU A 68 -9.623 1.189 -3.811 1.00 0.00 N ATOM 1001 CA GLU A 68 -10.355 0.155 -3.089 1.00 0.00 C ATOM 1002 C GLU A 68 -9.420 -0.971 -2.657 1.00 0.00 C ATOM 1003 O GLU A 68 -9.564 -1.528 -1.569 1.00 0.00 O ATOM 1004 CB GLU A 68 -11.481 -0.407 -3.960 1.00 0.00 C ATOM 1005 CG GLU A 68 -12.681 -0.891 -3.164 1.00 0.00 C ATOM 1006 CD GLU A 68 -13.912 -1.088 -4.027 1.00 0.00 C ATOM 1007 OE1 GLU A 68 -13.753 -1.293 -5.249 1.00 0.00 O ATOM 1008 OE2 GLU A 68 -15.035 -1.036 -3.482 1.00 0.00 O ATOM 0 H GLU A 68 -10.045 1.463 -4.698 1.00 0.00 H new ATOM 0 HA GLU A 68 -10.788 0.607 -2.197 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -11.806 0.363 -4.660 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -11.092 -1.234 -4.554 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.431 -1.832 -2.673 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -12.905 -0.171 -2.377 1.00 0.00 H new ATOM 1015 N ALA A 69 -8.463 -1.302 -3.518 1.00 0.00 N ATOM 1016 CA ALA A 69 -7.505 -2.360 -3.225 1.00 0.00 C ATOM 1017 C ALA A 69 -6.769 -2.088 -1.917 1.00 0.00 C ATOM 1018 O ALA A 69 -6.882 -2.853 -0.960 1.00 0.00 O ATOM 1019 CB ALA A 69 -6.513 -2.505 -4.370 1.00 0.00 C ATOM 0 H ALA A 69 -8.331 -0.852 -4.424 1.00 0.00 H new ATOM 0 HA ALA A 69 -8.056 -3.294 -3.114 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -5.803 -3.299 -4.138 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -7.049 -2.754 -5.286 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -5.976 -1.567 -4.507 1.00 0.00 H new ATOM 1025 N ALA A 70 -6.015 -0.994 -1.884 1.00 0.00 N ATOM 1026 CA ALA A 70 -5.262 -0.621 -0.693 1.00 0.00 C ATOM 1027 C ALA A 70 -6.103 -0.800 0.566 1.00 0.00 C ATOM 1028 O ALA A 70 -5.653 -1.395 1.545 1.00 0.00 O ATOM 1029 CB ALA A 70 -4.775 0.816 -0.805 1.00 0.00 C ATOM 0 H ALA A 70 -5.910 -0.351 -2.668 1.00 0.00 H new ATOM 0 HA ALA A 70 -4.398 -1.281 -0.618 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -4.214 1.081 0.091 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -4.131 0.915 -1.679 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -5.631 1.483 -0.908 1.00 0.00 H new ATOM 1035 N GLN A 71 -7.326 -0.281 0.535 1.00 0.00 N ATOM 1036 CA GLN A 71 -8.229 -0.382 1.675 1.00 0.00 C ATOM 1037 C GLN A 71 -8.530 -1.841 2.002 1.00 0.00 C ATOM 1038 O GLN A 71 -8.556 -2.235 3.169 1.00 0.00 O ATOM 1039 CB GLN A 71 -9.531 0.368 1.390 1.00 0.00 C ATOM 1040 CG GLN A 71 -9.323 1.827 1.019 1.00 0.00 C ATOM 1041 CD GLN A 71 -8.163 2.460 1.762 1.00 0.00 C ATOM 1042 OE1 GLN A 71 -8.357 3.169 2.749 1.00 0.00 O ATOM 1043 NE2 GLN A 71 -6.948 2.205 1.290 1.00 0.00 N ATOM 0 H GLN A 71 -7.714 0.214 -0.268 1.00 0.00 H new ATOM 0 HA GLN A 71 -7.739 0.071 2.536 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -10.059 -0.133 0.579 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.172 0.313 2.270 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.147 1.903 -0.054 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -10.234 2.386 1.233 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.834 1.611 0.468 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -6.129 2.603 1.749 1.00 0.00 H new ATOM 1052 N LYS A 72 -8.759 -2.640 0.965 1.00 0.00 N ATOM 1053 CA LYS A 72 -9.058 -4.056 1.141 1.00 0.00 C ATOM 1054 C LYS A 72 -7.889 -4.781 1.801 1.00 0.00 C ATOM 1055 O LYS A 72 -8.063 -5.846 2.395 1.00 0.00 O ATOM 1056 CB LYS A 72 -9.375 -4.703 -0.209 1.00 0.00 C ATOM 1057 CG LYS A 72 -10.739 -4.323 -0.760 1.00 0.00 C ATOM 1058 CD LYS A 72 -11.026 -5.029 -2.074 1.00 0.00 C ATOM 1059 CE LYS A 72 -12.417 -4.698 -2.592 1.00 0.00 C ATOM 1060 NZ LYS A 72 -12.989 -5.813 -3.397 1.00 0.00 N ATOM 0 H LYS A 72 -8.743 -2.330 -0.007 1.00 0.00 H new ATOM 0 HA LYS A 72 -9.929 -4.140 1.791 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -8.609 -4.416 -0.929 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -9.324 -5.787 -0.104 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -11.510 -4.578 -0.033 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -10.785 -3.244 -0.908 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -10.282 -4.738 -2.815 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -10.934 -6.106 -1.937 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -13.076 -4.482 -1.751 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.372 -3.796 -3.202 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.937 -5.548 -3.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -12.374 -6.003 -4.214 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -13.056 -6.668 -2.808 1.00 0.00 H new ATOM 1074 N CYS A 73 -6.701 -4.197 1.695 1.00 0.00 N ATOM 1075 CA CYS A 73 -5.503 -4.788 2.283 1.00 0.00 C ATOM 1076 C CYS A 73 -5.401 -4.447 3.766 1.00 0.00 C ATOM 1077 O CYS A 73 -4.895 -5.239 4.562 1.00 0.00 O ATOM 1078 CB CYS A 73 -4.255 -4.299 1.547 1.00 0.00 C ATOM 1079 SG CYS A 73 -2.713 -4.561 2.455 1.00 0.00 S ATOM 0 H CYS A 73 -6.541 -3.315 1.208 1.00 0.00 H new ATOM 0 HA CYS A 73 -5.574 -5.871 2.182 1.00 0.00 H new ATOM 0 HB2 CYS A 73 -4.190 -4.809 0.586 1.00 0.00 H new ATOM 0 HB3 CYS A 73 -4.364 -3.235 1.336 1.00 0.00 H new ATOM 0 HG CYS A 73 -1.793 -3.771 1.986 1.00 0.00 H new ATOM 1085 N LEU A 74 -5.883 -3.264 4.130 1.00 0.00 N ATOM 1086 CA LEU A 74 -5.844 -2.817 5.518 1.00 0.00 C ATOM 1087 C LEU A 74 -6.805 -3.631 6.379 1.00 0.00 C ATOM 1088 O LEU A 74 -6.382 -4.376 7.263 1.00 0.00 O ATOM 1089 CB LEU A 74 -6.197 -1.331 5.606 1.00 0.00 C ATOM 1090 CG LEU A 74 -5.441 -0.404 4.653 1.00 0.00 C ATOM 1091 CD1 LEU A 74 -5.945 1.025 4.786 1.00 0.00 C ATOM 1092 CD2 LEU A 74 -3.945 -0.470 4.921 1.00 0.00 C ATOM 0 H LEU A 74 -6.305 -2.597 3.484 1.00 0.00 H new ATOM 0 HA LEU A 74 -4.832 -2.967 5.894 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -7.265 -1.220 5.418 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -6.017 -0.995 6.627 1.00 0.00 H new ATOM 0 HG LEU A 74 -5.623 -0.738 3.631 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.395 1.670 4.100 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -7.007 1.060 4.544 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.794 1.370 5.809 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.423 0.196 4.234 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.745 -0.162 5.947 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -3.594 -1.491 4.774 1.00 0.00 H new ATOM 1104 N ALA A 75 -8.099 -3.484 6.114 1.00 0.00 N ATOM 1105 CA ALA A 75 -9.119 -4.209 6.861 1.00 0.00 C ATOM 1106 C ALA A 75 -8.721 -5.668 7.060 1.00 0.00 C ATOM 1107 O ALA A 75 -9.060 -6.281 8.071 1.00 0.00 O ATOM 1108 CB ALA A 75 -10.460 -4.118 6.149 1.00 0.00 C ATOM 0 H ALA A 75 -8.466 -2.869 5.387 1.00 0.00 H new ATOM 0 HA ALA A 75 -9.211 -3.747 7.844 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -11.212 -4.664 6.718 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -10.757 -3.073 6.065 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.373 -4.552 5.153 1.00 0.00 H new ATOM 1114 N ALA A 76 -8.001 -6.218 6.087 1.00 0.00 N ATOM 1115 CA ALA A 76 -7.557 -7.604 6.156 1.00 0.00 C ATOM 1116 C ALA A 76 -6.292 -7.734 6.997 1.00 0.00 C ATOM 1117 O ALA A 76 -6.112 -8.716 7.717 1.00 0.00 O ATOM 1118 CB ALA A 76 -7.321 -8.153 4.757 1.00 0.00 C ATOM 0 H ALA A 76 -7.713 -5.724 5.242 1.00 0.00 H new ATOM 0 HA ALA A 76 -8.343 -8.188 6.636 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.990 -9.189 4.824 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -8.248 -8.105 4.186 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -6.556 -7.559 4.257 1.00 0.00 H new ATOM 1124 N ALA A 77 -5.417 -6.738 6.900 1.00 0.00 N ATOM 1125 CA ALA A 77 -4.169 -6.740 7.653 1.00 0.00 C ATOM 1126 C ALA A 77 -4.416 -6.433 9.126 1.00 0.00 C ATOM 1127 O ALA A 77 -3.606 -6.777 9.987 1.00 0.00 O ATOM 1128 CB ALA A 77 -3.192 -5.737 7.059 1.00 0.00 C ATOM 0 H ALA A 77 -5.550 -5.919 6.307 1.00 0.00 H new ATOM 0 HA ALA A 77 -3.734 -7.737 7.585 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -2.265 -5.750 7.632 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -2.982 -6.003 6.023 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -3.628 -4.739 7.096 1.00 0.00 H new ATOM 1134 N SER A 78 -5.540 -5.782 9.410 1.00 0.00 N ATOM 1135 CA SER A 78 -5.892 -5.424 10.779 1.00 0.00 C ATOM 1136 C SER A 78 -6.466 -6.624 11.524 1.00 0.00 C ATOM 1137 O SER A 78 -7.591 -7.053 11.261 1.00 0.00 O ATOM 1138 CB SER A 78 -6.901 -4.274 10.785 1.00 0.00 C ATOM 1139 OG SER A 78 -6.756 -3.473 11.945 1.00 0.00 O ATOM 0 H SER A 78 -6.223 -5.492 8.710 1.00 0.00 H new ATOM 0 HA SER A 78 -4.984 -5.103 11.289 1.00 0.00 H new ATOM 0 HB2 SER A 78 -6.762 -3.660 9.896 1.00 0.00 H new ATOM 0 HB3 SER A 78 -7.914 -4.675 10.740 1.00 0.00 H new ATOM 0 HG SER A 78 -7.411 -2.744 11.923 1.00 0.00 H new ATOM 1225 N LEU A 86 -3.332 -10.439 8.916 1.00 0.00 N ATOM 1226 CA LEU A 86 -2.398 -11.149 8.050 1.00 0.00 C ATOM 1227 C LEU A 86 -1.109 -11.481 8.795 1.00 0.00 C ATOM 1228 O LEU A 86 -0.681 -10.738 9.679 1.00 0.00 O ATOM 1229 CB LEU A 86 -2.081 -10.310 6.810 1.00 0.00 C ATOM 1230 CG LEU A 86 -2.992 -10.528 5.602 1.00 0.00 C ATOM 1231 CD1 LEU A 86 -4.421 -10.123 5.930 1.00 0.00 C ATOM 1232 CD2 LEU A 86 -2.478 -9.750 4.399 1.00 0.00 C ATOM 0 HA LEU A 86 -2.868 -12.082 7.739 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -2.125 -9.257 7.088 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -1.054 -10.518 6.508 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.985 -11.589 5.353 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -5.054 -10.285 5.058 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -4.788 -10.724 6.762 1.00 0.00 H new ATOM 0 HD13 LEU A 86 -4.446 -9.069 6.206 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -3.139 -9.917 3.548 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -2.454 -8.686 4.637 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -1.472 -10.089 4.149 1.00 0.00 H new ATOM 1244 N LYS A 87 -0.493 -12.600 8.432 1.00 0.00 N ATOM 1245 CA LYS A 87 0.749 -13.030 9.063 1.00 0.00 C ATOM 1246 C LYS A 87 1.716 -13.600 8.030 1.00 0.00 C ATOM 1247 O LYS A 87 1.324 -14.381 7.162 1.00 0.00 O ATOM 1248 CB LYS A 87 0.462 -14.078 10.140 1.00 0.00 C ATOM 1249 CG LYS A 87 -0.137 -13.497 11.409 1.00 0.00 C ATOM 1250 CD LYS A 87 0.257 -14.307 12.634 1.00 0.00 C ATOM 1251 CE LYS A 87 -0.821 -14.255 13.706 1.00 0.00 C ATOM 1252 NZ LYS A 87 -0.703 -15.387 14.666 1.00 0.00 N ATOM 0 H LYS A 87 -0.834 -13.227 7.703 1.00 0.00 H new ATOM 0 HA LYS A 87 1.212 -12.159 9.526 1.00 0.00 H new ATOM 0 HB2 LYS A 87 -0.220 -14.825 9.735 1.00 0.00 H new ATOM 0 HB3 LYS A 87 1.389 -14.594 10.389 1.00 0.00 H new ATOM 0 HG2 LYS A 87 0.196 -12.466 11.531 1.00 0.00 H new ATOM 0 HG3 LYS A 87 -1.223 -13.473 11.322 1.00 0.00 H new ATOM 0 HD2 LYS A 87 0.435 -15.343 12.345 1.00 0.00 H new ATOM 0 HD3 LYS A 87 1.194 -13.924 13.039 1.00 0.00 H new ATOM 0 HE2 LYS A 87 -0.750 -13.311 14.247 1.00 0.00 H new ATOM 0 HE3 LYS A 87 -1.804 -14.279 13.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 -1.455 -15.316 15.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 -0.796 -16.287 14.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 0.225 -15.349 15.135 1.00 0.00 H new ATOM 1266 N LEU A 88 2.981 -13.206 8.129 1.00 0.00 N ATOM 1267 CA LEU A 88 4.004 -13.679 7.203 1.00 0.00 C ATOM 1268 C LEU A 88 5.067 -14.491 7.936 1.00 0.00 C ATOM 1269 O LEU A 88 5.919 -13.935 8.630 1.00 0.00 O ATOM 1270 CB LEU A 88 4.656 -12.496 6.484 1.00 0.00 C ATOM 1271 CG LEU A 88 5.204 -12.780 5.085 1.00 0.00 C ATOM 1272 CD1 LEU A 88 4.135 -12.532 4.032 1.00 0.00 C ATOM 1273 CD2 LEU A 88 6.434 -11.927 4.811 1.00 0.00 C ATOM 0 H LEU A 88 3.323 -12.560 8.841 1.00 0.00 H new ATOM 0 HA LEU A 88 3.523 -14.323 6.467 1.00 0.00 H new ATOM 0 HB2 LEU A 88 3.923 -11.693 6.409 1.00 0.00 H new ATOM 0 HB3 LEU A 88 5.472 -12.125 7.104 1.00 0.00 H new ATOM 0 HG LEU A 88 5.496 -13.829 5.036 1.00 0.00 H new ATOM 0 HD11 LEU A 88 4.544 -12.739 3.043 1.00 0.00 H new ATOM 0 HD12 LEU A 88 3.283 -13.186 4.217 1.00 0.00 H new ATOM 0 HD13 LEU A 88 3.811 -11.492 4.080 1.00 0.00 H new ATOM 0 HD21 LEU A 88 6.811 -12.142 3.811 1.00 0.00 H new ATOM 0 HD22 LEU A 88 6.168 -10.872 4.879 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.206 -12.155 5.546 1.00 0.00 H new ATOM 1285 N ASP A 89 5.013 -15.809 7.775 1.00 0.00 N ATOM 1286 CA ASP A 89 5.973 -16.698 8.418 1.00 0.00 C ATOM 1287 C ASP A 89 5.841 -16.633 9.936 1.00 0.00 C ATOM 1288 O ASP A 89 6.816 -16.821 10.663 1.00 0.00 O ATOM 1289 CB ASP A 89 7.398 -16.332 8.001 1.00 0.00 C ATOM 1290 CG ASP A 89 7.566 -16.280 6.496 1.00 0.00 C ATOM 1291 OD1 ASP A 89 7.655 -17.358 5.872 1.00 0.00 O ATOM 1292 OD2 ASP A 89 7.610 -15.161 5.941 1.00 0.00 O ATOM 0 H ASP A 89 4.314 -16.285 7.204 1.00 0.00 H new ATOM 0 HA ASP A 89 5.759 -17.717 8.096 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.660 -15.363 8.426 1.00 0.00 H new ATOM 0 HB3 ASP A 89 8.093 -17.061 8.416 1.00 0.00 H new ATOM 1297 N GLY A 90 4.627 -16.365 10.409 1.00 0.00 N ATOM 1298 CA GLY A 90 4.390 -16.279 11.838 1.00 0.00 C ATOM 1299 C GLY A 90 4.637 -14.886 12.384 1.00 0.00 C ATOM 1300 O GLY A 90 4.809 -14.706 13.590 1.00 0.00 O ATOM 0 H GLY A 90 3.804 -16.206 9.828 1.00 0.00 H new ATOM 0 HA2 GLY A 90 3.362 -16.572 12.051 1.00 0.00 H new ATOM 0 HA3 GLY A 90 5.037 -16.988 12.354 1.00 0.00 H new ATOM 1304 N ARG A 91 4.658 -13.899 11.495 1.00 0.00 N ATOM 1305 CA ARG A 91 4.889 -12.516 11.894 1.00 0.00 C ATOM 1306 C ARG A 91 3.730 -11.624 11.460 1.00 0.00 C ATOM 1307 O ARG A 91 3.456 -11.482 10.268 1.00 0.00 O ATOM 1308 CB ARG A 91 6.197 -12.000 11.291 1.00 0.00 C ATOM 1309 CG ARG A 91 7.437 -12.461 12.040 1.00 0.00 C ATOM 1310 CD ARG A 91 7.796 -11.503 13.165 1.00 0.00 C ATOM 1311 NE ARG A 91 8.860 -12.031 14.014 1.00 0.00 N ATOM 1312 CZ ARG A 91 9.302 -11.417 15.106 1.00 0.00 C ATOM 1313 NH1 ARG A 91 8.773 -10.260 15.480 1.00 0.00 N ATOM 1314 NH2 ARG A 91 10.274 -11.961 15.828 1.00 0.00 N ATOM 0 H ARG A 91 4.518 -14.031 10.493 1.00 0.00 H new ATOM 0 HA ARG A 91 4.961 -12.486 12.981 1.00 0.00 H new ATOM 0 HB2 ARG A 91 6.265 -12.331 10.255 1.00 0.00 H new ATOM 0 HB3 ARG A 91 6.176 -10.910 11.277 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.267 -13.457 12.449 1.00 0.00 H new ATOM 0 HG3 ARG A 91 8.274 -12.540 11.346 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.109 -10.548 12.742 1.00 0.00 H new ATOM 0 HD3 ARG A 91 6.911 -11.308 13.771 1.00 0.00 H new ATOM 0 HE ARG A 91 9.287 -12.920 13.754 1.00 0.00 H new ATOM 0 HH11 ARG A 91 8.025 -9.839 14.929 1.00 0.00 H new ATOM 0 HH12 ARG A 91 9.114 -9.791 16.319 1.00 0.00 H new ATOM 0 HH21 ARG A 91 10.683 -12.852 15.545 1.00 0.00 H new ATOM 0 HH22 ARG A 91 10.612 -11.488 16.666 1.00 0.00 H new ATOM 1328 N GLN A 92 3.053 -11.025 12.435 1.00 0.00 N ATOM 1329 CA GLN A 92 1.923 -10.148 12.152 1.00 0.00 C ATOM 1330 C GLN A 92 2.352 -8.969 11.285 1.00 0.00 C ATOM 1331 O GLN A 92 3.339 -8.294 11.581 1.00 0.00 O ATOM 1332 CB GLN A 92 1.307 -9.639 13.457 1.00 0.00 C ATOM 1333 CG GLN A 92 -0.140 -9.195 13.314 1.00 0.00 C ATOM 1334 CD GLN A 92 -1.030 -10.281 12.744 1.00 0.00 C ATOM 1335 OE1 GLN A 92 -0.921 -11.449 13.117 1.00 0.00 O ATOM 1336 NE2 GLN A 92 -1.919 -9.901 11.833 1.00 0.00 N ATOM 0 H GLN A 92 3.267 -11.131 13.427 1.00 0.00 H new ATOM 0 HA GLN A 92 1.176 -10.724 11.606 1.00 0.00 H new ATOM 0 HB2 GLN A 92 1.364 -10.427 14.208 1.00 0.00 H new ATOM 0 HB3 GLN A 92 1.900 -8.803 13.827 1.00 0.00 H new ATOM 0 HG2 GLN A 92 -0.521 -8.893 14.289 1.00 0.00 H new ATOM 0 HG3 GLN A 92 -0.185 -8.318 12.668 1.00 0.00 H new ATOM 0 HE21 GLN A 92 -1.975 -8.922 11.553 1.00 0.00 H new ATOM 0 HE22 GLN A 92 -2.545 -10.588 11.414 1.00 0.00 H new ATOM 1345 N LEU A 93 1.605 -8.727 10.214 1.00 0.00 N ATOM 1346 CA LEU A 93 1.909 -7.629 9.302 1.00 0.00 C ATOM 1347 C LEU A 93 0.948 -6.464 9.515 1.00 0.00 C ATOM 1348 O LEU A 93 -0.265 -6.655 9.612 1.00 0.00 O ATOM 1349 CB LEU A 93 1.834 -8.109 7.852 1.00 0.00 C ATOM 1350 CG LEU A 93 2.577 -9.407 7.535 1.00 0.00 C ATOM 1351 CD1 LEU A 93 2.288 -9.854 6.110 1.00 0.00 C ATOM 1352 CD2 LEU A 93 4.074 -9.230 7.746 1.00 0.00 C ATOM 0 H LEU A 93 0.785 -9.276 9.955 1.00 0.00 H new ATOM 0 HA LEU A 93 2.922 -7.284 9.511 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.785 -8.241 7.588 1.00 0.00 H new ATOM 0 HB3 LEU A 93 2.228 -7.322 7.209 1.00 0.00 H new ATOM 0 HG LEU A 93 2.223 -10.181 8.216 1.00 0.00 H new ATOM 0 HD11 LEU A 93 2.826 -10.779 5.903 1.00 0.00 H new ATOM 0 HD12 LEU A 93 1.218 -10.022 5.991 1.00 0.00 H new ATOM 0 HD13 LEU A 93 2.614 -9.082 5.413 1.00 0.00 H new ATOM 0 HD21 LEU A 93 4.587 -10.164 7.516 1.00 0.00 H new ATOM 0 HD22 LEU A 93 4.443 -8.442 7.090 1.00 0.00 H new ATOM 0 HD23 LEU A 93 4.265 -8.957 8.784 1.00 0.00 H new ATOM 1364 N LYS A 94 1.497 -5.256 9.583 1.00 0.00 N ATOM 1365 CA LYS A 94 0.689 -4.058 9.780 1.00 0.00 C ATOM 1366 C LYS A 94 0.676 -3.197 8.521 1.00 0.00 C ATOM 1367 O LYS A 94 1.655 -2.520 8.209 1.00 0.00 O ATOM 1368 CB LYS A 94 1.225 -3.245 10.960 1.00 0.00 C ATOM 1369 CG LYS A 94 0.639 -3.657 12.299 1.00 0.00 C ATOM 1370 CD LYS A 94 0.826 -2.574 13.348 1.00 0.00 C ATOM 1371 CE LYS A 94 -0.167 -2.725 14.490 1.00 0.00 C ATOM 1372 NZ LYS A 94 0.130 -1.791 15.611 1.00 0.00 N ATOM 0 H LYS A 94 2.499 -5.080 9.505 1.00 0.00 H new ATOM 0 HA LYS A 94 -0.333 -4.371 9.996 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.309 -3.350 11.000 1.00 0.00 H new ATOM 0 HB3 LYS A 94 1.013 -2.190 10.789 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -0.423 -3.871 12.182 1.00 0.00 H new ATOM 0 HG3 LYS A 94 1.114 -4.578 12.637 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.842 -2.618 13.740 1.00 0.00 H new ATOM 0 HD3 LYS A 94 0.704 -1.594 12.886 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -1.176 -2.540 14.121 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -0.145 -3.751 14.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -0.569 -1.925 16.369 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.083 -1.984 15.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.084 -0.810 15.267 1.00 0.00 H new ATOM 1386 N VAL A 95 -0.441 -3.228 7.800 1.00 0.00 N ATOM 1387 CA VAL A 95 -0.582 -2.449 6.576 1.00 0.00 C ATOM 1388 C VAL A 95 -1.322 -1.142 6.839 1.00 0.00 C ATOM 1389 O VAL A 95 -2.418 -1.139 7.398 1.00 0.00 O ATOM 1390 CB VAL A 95 -1.334 -3.242 5.490 1.00 0.00 C ATOM 1391 CG1 VAL A 95 -1.348 -2.470 4.179 1.00 0.00 C ATOM 1392 CG2 VAL A 95 -0.707 -4.615 5.303 1.00 0.00 C ATOM 0 H VAL A 95 -1.261 -3.784 8.043 1.00 0.00 H new ATOM 0 HA VAL A 95 0.425 -2.228 6.223 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.366 -3.380 5.814 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.883 -3.045 3.424 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -1.847 -1.512 4.326 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -0.324 -2.299 3.847 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -1.251 -5.161 4.532 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.334 -4.501 5.001 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -0.755 -5.168 6.241 1.00 0.00 H new ATOM 1402 N ASP A 96 -0.714 -0.033 6.431 1.00 0.00 N ATOM 1403 CA ASP A 96 -1.315 1.282 6.620 1.00 0.00 C ATOM 1404 C ASP A 96 -1.091 2.164 5.396 1.00 0.00 C ATOM 1405 O ASP A 96 -0.031 2.117 4.770 1.00 0.00 O ATOM 1406 CB ASP A 96 -0.735 1.957 7.864 1.00 0.00 C ATOM 1407 CG ASP A 96 -1.549 3.158 8.304 1.00 0.00 C ATOM 1408 OD1 ASP A 96 -1.280 4.271 7.806 1.00 0.00 O ATOM 1409 OD2 ASP A 96 -2.454 2.985 9.148 1.00 0.00 O ATOM 0 H ASP A 96 0.194 -0.019 5.967 1.00 0.00 H new ATOM 0 HA ASP A 96 -2.388 1.147 6.756 1.00 0.00 H new ATOM 0 HB2 ASP A 96 -0.690 1.234 8.678 1.00 0.00 H new ATOM 0 HB3 ASP A 96 0.289 2.271 7.660 1.00 0.00 H new ATOM 1414 N LEU A 97 -2.095 2.966 5.059 1.00 0.00 N ATOM 1415 CA LEU A 97 -2.008 3.859 3.909 1.00 0.00 C ATOM 1416 C LEU A 97 -0.879 4.869 4.088 1.00 0.00 C ATOM 1417 O LEU A 97 -1.037 5.875 4.779 1.00 0.00 O ATOM 1418 CB LEU A 97 -3.335 4.591 3.705 1.00 0.00 C ATOM 1419 CG LEU A 97 -3.500 5.323 2.372 1.00 0.00 C ATOM 1420 CD1 LEU A 97 -2.174 5.912 1.919 1.00 0.00 C ATOM 1421 CD2 LEU A 97 -4.058 4.383 1.313 1.00 0.00 C ATOM 0 H LEU A 97 -2.979 3.016 5.566 1.00 0.00 H new ATOM 0 HA LEU A 97 -1.794 3.255 3.027 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -4.145 3.868 3.802 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -3.456 5.314 4.511 1.00 0.00 H new ATOM 0 HG LEU A 97 -4.208 6.140 2.513 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.311 6.429 0.969 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -1.815 6.618 2.668 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -1.444 5.112 1.795 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -4.169 4.921 0.371 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.375 3.545 1.174 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.030 4.009 1.634 1.00 0.00 H new ATOM 1433 N ALA A 98 0.259 4.595 3.457 1.00 0.00 N ATOM 1434 CA ALA A 98 1.412 5.482 3.543 1.00 0.00 C ATOM 1435 C ALA A 98 1.316 6.609 2.520 1.00 0.00 C ATOM 1436 O ALA A 98 0.322 6.727 1.803 1.00 0.00 O ATOM 1437 CB ALA A 98 2.699 4.695 3.345 1.00 0.00 C ATOM 0 H ALA A 98 0.406 3.766 2.881 1.00 0.00 H new ATOM 0 HA ALA A 98 1.422 5.929 4.537 1.00 0.00 H new ATOM 0 HB1 ALA A 98 3.552 5.370 3.412 1.00 0.00 H new ATOM 0 HB2 ALA A 98 2.780 3.930 4.117 1.00 0.00 H new ATOM 0 HB3 ALA A 98 2.688 4.220 2.364 1.00 0.00 H new ATOM 1443 N VAL A 99 2.355 7.435 2.457 1.00 0.00 N ATOM 1444 CA VAL A 99 2.388 8.552 1.521 1.00 0.00 C ATOM 1445 C VAL A 99 3.809 9.070 1.332 1.00 0.00 C ATOM 1446 O VAL A 99 4.595 9.120 2.279 1.00 0.00 O ATOM 1447 CB VAL A 99 1.490 9.710 1.997 1.00 0.00 C ATOM 1448 CG1 VAL A 99 1.982 10.254 3.329 1.00 0.00 C ATOM 1449 CG2 VAL A 99 1.440 10.811 0.948 1.00 0.00 C ATOM 0 H VAL A 99 3.185 7.352 3.043 1.00 0.00 H new ATOM 0 HA VAL A 99 2.012 8.178 0.569 1.00 0.00 H new ATOM 0 HB VAL A 99 0.479 9.328 2.139 1.00 0.00 H new ATOM 0 HG11 VAL A 99 1.336 11.071 3.649 1.00 0.00 H new ATOM 0 HG12 VAL A 99 1.961 9.461 4.076 1.00 0.00 H new ATOM 0 HG13 VAL A 99 3.002 10.621 3.218 1.00 0.00 H new ATOM 0 HG21 VAL A 99 0.801 11.621 1.301 1.00 0.00 H new ATOM 0 HG22 VAL A 99 2.446 11.192 0.773 1.00 0.00 H new ATOM 0 HG23 VAL A 99 1.037 10.410 0.018 1.00 0.00 H new