USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 554 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 11 THR OG1 : rot 35:sc= 0.353 USER MOD Single : A 14 SER OG : rot -144:sc= -1.75! USER MOD Single : A 22 CYS SG : rot 137:sc= -0.532 USER MOD Single : A 26 HIS : no HE2:sc= -1.19 K(o=-1.2,f=-4) USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.644 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.146 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0.0191 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= -1.41! USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HD1:sc=-0.00331 X(o=-0.0033,f=-0.072) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= -3.17 K(o=-3.2,f=-3.7!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -89:sc= 0.688 USER MOD Single : A 81 THR OG1 : rot 81:sc= 1.25 USER MOD ----------------------------------------------------------------- ATOM 136 N THR A 11 4.153 -12.294 -2.708 1.00 0.00 N ATOM 137 CA THR A 11 4.697 -12.657 -1.396 1.00 0.00 C ATOM 138 C THR A 11 4.712 -11.445 -0.473 1.00 0.00 C ATOM 139 O THR A 11 4.711 -10.307 -0.923 1.00 0.00 O ATOM 140 CB THR A 11 6.118 -13.202 -1.551 1.00 0.00 C ATOM 141 OG1 THR A 11 6.147 -14.145 -2.612 1.00 0.00 O ATOM 142 CG2 THR A 11 6.547 -13.882 -0.248 1.00 0.00 C ATOM 0 HA THR A 11 4.061 -13.427 -0.959 1.00 0.00 H new ATOM 0 HB THR A 11 6.802 -12.383 -1.774 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.526 -13.864 -3.316 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.559 -14.271 -0.357 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.522 -13.157 0.566 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.865 -14.702 -0.024 1.00 0.00 H new ATOM 150 N LEU A 12 4.716 -11.694 0.822 1.00 0.00 N ATOM 151 CA LEU A 12 4.702 -10.608 1.793 1.00 0.00 C ATOM 152 C LEU A 12 5.779 -9.584 1.473 1.00 0.00 C ATOM 153 O LEU A 12 5.537 -8.377 1.526 1.00 0.00 O ATOM 154 CB LEU A 12 4.954 -11.186 3.190 1.00 0.00 C ATOM 155 CG LEU A 12 3.637 -11.742 3.782 1.00 0.00 C ATOM 156 CD1 LEU A 12 3.925 -12.991 4.624 1.00 0.00 C ATOM 157 CD2 LEU A 12 2.975 -10.683 4.672 1.00 0.00 C ATOM 0 H LEU A 12 4.729 -12.630 1.228 1.00 0.00 H new ATOM 0 HA LEU A 12 3.731 -10.114 1.755 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.700 -11.979 3.135 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.358 -10.413 3.844 1.00 0.00 H new ATOM 0 HG LEU A 12 2.969 -12.001 2.961 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.992 -13.375 5.036 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.386 -13.754 3.997 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.602 -12.733 5.438 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.049 -11.082 5.085 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.650 -10.418 5.486 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.755 -9.795 4.079 1.00 0.00 H new ATOM 169 N ASP A 13 6.967 -10.064 1.152 1.00 0.00 N ATOM 170 CA ASP A 13 8.063 -9.166 0.845 1.00 0.00 C ATOM 171 C ASP A 13 7.777 -8.383 -0.425 1.00 0.00 C ATOM 172 O ASP A 13 8.061 -7.193 -0.491 1.00 0.00 O ATOM 173 CB ASP A 13 9.357 -9.946 0.656 1.00 0.00 C ATOM 174 CG ASP A 13 9.453 -11.053 1.705 1.00 0.00 C ATOM 175 OD1 ASP A 13 9.005 -10.827 2.817 1.00 0.00 O ATOM 176 OD2 ASP A 13 9.961 -12.113 1.377 1.00 0.00 O ATOM 0 H ASP A 13 7.195 -11.057 1.098 1.00 0.00 H new ATOM 0 HA ASP A 13 8.169 -8.476 1.682 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.390 -10.377 -0.345 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.212 -9.276 0.742 1.00 0.00 H new ATOM 181 N SER A 14 7.205 -9.049 -1.430 1.00 0.00 N ATOM 182 CA SER A 14 6.897 -8.384 -2.684 1.00 0.00 C ATOM 183 C SER A 14 5.830 -7.313 -2.482 1.00 0.00 C ATOM 184 O SER A 14 5.882 -6.240 -3.093 1.00 0.00 O ATOM 185 CB SER A 14 6.439 -9.401 -3.710 1.00 0.00 C ATOM 186 OG SER A 14 5.317 -10.112 -3.211 1.00 0.00 O ATOM 0 H SER A 14 6.951 -10.036 -1.396 1.00 0.00 H new ATOM 0 HA SER A 14 7.801 -7.896 -3.049 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.179 -8.900 -4.642 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.249 -10.094 -3.936 1.00 0.00 H new ATOM 0 HG SER A 14 5.365 -11.046 -3.504 1.00 0.00 H new ATOM 192 N LEU A 15 4.849 -7.599 -1.643 1.00 0.00 N ATOM 193 CA LEU A 15 3.797 -6.630 -1.390 1.00 0.00 C ATOM 194 C LEU A 15 4.339 -5.522 -0.505 1.00 0.00 C ATOM 195 O LEU A 15 4.456 -4.375 -0.930 1.00 0.00 O ATOM 196 CB LEU A 15 2.598 -7.330 -0.720 1.00 0.00 C ATOM 197 CG LEU A 15 1.726 -8.032 -1.770 1.00 0.00 C ATOM 198 CD1 LEU A 15 2.584 -8.729 -2.826 1.00 0.00 C ATOM 199 CD2 LEU A 15 0.876 -9.079 -1.059 1.00 0.00 C ATOM 0 H LEU A 15 4.759 -8.478 -1.134 1.00 0.00 H new ATOM 0 HA LEU A 15 3.459 -6.194 -2.330 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.956 -8.057 0.009 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.002 -6.599 -0.174 1.00 0.00 H new ATOM 0 HG LEU A 15 1.105 -7.288 -2.269 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.938 -9.217 -3.556 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.210 -7.993 -3.330 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.217 -9.475 -2.346 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.247 -9.592 -1.786 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.526 -9.803 -0.567 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.247 -8.592 -0.314 1.00 0.00 H new ATOM 211 N ARG A 16 4.657 -5.860 0.726 1.00 0.00 N ATOM 212 CA ARG A 16 5.159 -4.861 1.663 1.00 0.00 C ATOM 213 C ARG A 16 6.057 -3.845 0.950 1.00 0.00 C ATOM 214 O ARG A 16 5.846 -2.625 1.056 1.00 0.00 O ATOM 215 CB ARG A 16 5.957 -5.556 2.761 1.00 0.00 C ATOM 216 CG ARG A 16 6.617 -4.507 3.692 1.00 0.00 C ATOM 217 CD ARG A 16 8.092 -4.302 3.313 1.00 0.00 C ATOM 218 NE ARG A 16 8.739 -3.445 4.291 1.00 0.00 N ATOM 219 CZ ARG A 16 9.941 -2.944 4.059 1.00 0.00 C ATOM 220 NH1 ARG A 16 10.554 -3.217 2.938 1.00 0.00 N ATOM 221 NH2 ARG A 16 10.508 -2.177 4.944 1.00 0.00 N ATOM 0 H ARG A 16 4.581 -6.804 1.104 1.00 0.00 H new ATOM 0 HA ARG A 16 4.309 -4.331 2.093 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.301 -6.206 3.341 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.723 -6.191 2.317 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.082 -3.560 3.619 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.544 -4.836 4.729 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.602 -5.264 3.266 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.163 -3.855 2.321 1.00 0.00 H new ATOM 0 HE ARG A 16 8.262 -3.227 5.166 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.106 -3.815 2.244 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.481 -2.832 2.757 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.026 -1.962 5.817 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.435 -1.791 4.765 1.00 0.00 H new ATOM 235 N VAL A 17 7.046 -4.351 0.206 1.00 0.00 N ATOM 236 CA VAL A 17 7.960 -3.482 -0.530 1.00 0.00 C ATOM 237 C VAL A 17 7.179 -2.653 -1.556 1.00 0.00 C ATOM 238 O VAL A 17 7.492 -1.488 -1.790 1.00 0.00 O ATOM 239 CB VAL A 17 9.025 -4.333 -1.239 1.00 0.00 C ATOM 240 CG1 VAL A 17 9.777 -5.211 -0.209 1.00 0.00 C ATOM 241 CG2 VAL A 17 8.330 -5.220 -2.263 1.00 0.00 C ATOM 0 H VAL A 17 7.230 -5.349 0.100 1.00 0.00 H new ATOM 0 HA VAL A 17 8.453 -2.805 0.168 1.00 0.00 H new ATOM 0 HB VAL A 17 9.748 -3.684 -1.734 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.529 -5.810 -0.722 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.263 -4.572 0.528 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.069 -5.870 0.293 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.071 -5.832 -2.777 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.613 -5.867 -1.757 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.808 -4.597 -2.989 1.00 0.00 H new ATOM 251 N TRP A 18 6.157 -3.258 -2.167 1.00 0.00 N ATOM 252 CA TRP A 18 5.348 -2.539 -3.152 1.00 0.00 C ATOM 253 C TRP A 18 4.711 -1.291 -2.524 1.00 0.00 C ATOM 254 O TRP A 18 4.777 -0.195 -3.080 1.00 0.00 O ATOM 255 CB TRP A 18 4.241 -3.479 -3.710 1.00 0.00 C ATOM 256 CG TRP A 18 2.872 -3.034 -3.256 1.00 0.00 C ATOM 257 CD1 TRP A 18 2.146 -3.562 -2.230 1.00 0.00 C ATOM 258 CD2 TRP A 18 2.064 -1.950 -3.780 1.00 0.00 C ATOM 259 NE1 TRP A 18 0.980 -2.867 -2.099 1.00 0.00 N ATOM 260 CE2 TRP A 18 0.877 -1.871 -3.019 1.00 0.00 C ATOM 261 CE3 TRP A 18 2.233 -1.026 -4.826 1.00 0.00 C ATOM 262 CZ2 TRP A 18 -0.093 -0.930 -3.271 1.00 0.00 C ATOM 263 CZ3 TRP A 18 1.246 -0.071 -5.087 1.00 0.00 C ATOM 264 CH2 TRP A 18 0.087 -0.029 -4.305 1.00 0.00 C ATOM 0 H TRP A 18 5.875 -4.224 -2.001 1.00 0.00 H new ATOM 0 HA TRP A 18 5.996 -2.220 -3.969 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.282 -3.487 -4.799 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.424 -4.500 -3.376 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.447 -4.399 -1.617 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.270 -3.070 -1.395 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.128 -1.054 -5.430 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.988 -0.895 -2.667 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.379 0.635 -5.893 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -0.672 0.711 -4.510 1.00 0.00 H new ATOM 275 N LEU A 19 4.076 -1.481 -1.376 1.00 0.00 N ATOM 276 CA LEU A 19 3.406 -0.381 -0.694 1.00 0.00 C ATOM 277 C LEU A 19 4.381 0.753 -0.431 1.00 0.00 C ATOM 278 O LEU A 19 4.190 1.877 -0.900 1.00 0.00 O ATOM 279 CB LEU A 19 2.821 -0.892 0.639 1.00 0.00 C ATOM 280 CG LEU A 19 1.282 -1.085 0.545 1.00 0.00 C ATOM 281 CD1 LEU A 19 0.864 -2.340 1.308 1.00 0.00 C ATOM 282 CD2 LEU A 19 0.569 0.147 1.132 1.00 0.00 C ATOM 0 H LEU A 19 4.010 -2.380 -0.899 1.00 0.00 H new ATOM 0 HA LEU A 19 2.603 -0.004 -1.327 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.292 -1.838 0.906 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.053 -0.184 1.435 1.00 0.00 H new ATOM 0 HG LEU A 19 1.000 -1.199 -0.502 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.216 -2.467 1.236 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.361 -3.210 0.878 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.149 -2.241 2.355 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.510 0.009 1.065 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.855 0.269 2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.857 1.036 0.571 1.00 0.00 H new ATOM 294 N VAL A 20 5.428 0.471 0.320 1.00 0.00 N ATOM 295 CA VAL A 20 6.398 1.506 0.624 1.00 0.00 C ATOM 296 C VAL A 20 7.023 2.041 -0.657 1.00 0.00 C ATOM 297 O VAL A 20 7.098 3.253 -0.864 1.00 0.00 O ATOM 298 CB VAL A 20 7.484 0.931 1.532 1.00 0.00 C ATOM 299 CG1 VAL A 20 8.085 -0.322 0.885 1.00 0.00 C ATOM 300 CG2 VAL A 20 8.580 1.975 1.740 1.00 0.00 C ATOM 0 H VAL A 20 5.627 -0.444 0.723 1.00 0.00 H new ATOM 0 HA VAL A 20 5.894 2.328 1.132 1.00 0.00 H new ATOM 0 HB VAL A 20 7.048 0.666 2.495 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.859 -0.731 1.534 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.303 -1.067 0.740 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.521 -0.060 -0.079 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.355 1.565 2.388 1.00 0.00 H new ATOM 0 HG22 VAL A 20 9.016 2.242 0.777 1.00 0.00 H new ATOM 0 HG23 VAL A 20 8.152 2.864 2.204 1.00 0.00 H new ATOM 310 N ASP A 21 7.486 1.134 -1.507 1.00 0.00 N ATOM 311 CA ASP A 21 8.124 1.538 -2.750 1.00 0.00 C ATOM 312 C ASP A 21 7.171 2.381 -3.586 1.00 0.00 C ATOM 313 O ASP A 21 7.588 3.323 -4.262 1.00 0.00 O ATOM 314 CB ASP A 21 8.543 0.298 -3.544 1.00 0.00 C ATOM 315 CG ASP A 21 9.272 0.710 -4.819 1.00 0.00 C ATOM 316 OD1 ASP A 21 9.314 1.897 -5.098 1.00 0.00 O ATOM 317 OD2 ASP A 21 9.777 -0.169 -5.498 1.00 0.00 O ATOM 0 H ASP A 21 7.432 0.126 -1.360 1.00 0.00 H new ATOM 0 HA ASP A 21 9.006 2.133 -2.512 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.190 -0.332 -2.934 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.664 -0.296 -3.795 1.00 0.00 H new ATOM 322 N CYS A 22 5.888 2.044 -3.528 1.00 0.00 N ATOM 323 CA CYS A 22 4.887 2.786 -4.278 1.00 0.00 C ATOM 324 C CYS A 22 4.877 4.243 -3.848 1.00 0.00 C ATOM 325 O CYS A 22 4.925 5.144 -4.686 1.00 0.00 O ATOM 326 CB CYS A 22 3.502 2.181 -4.053 1.00 0.00 C ATOM 327 SG CYS A 22 2.245 3.218 -4.836 1.00 0.00 S ATOM 0 H CYS A 22 5.521 1.270 -2.975 1.00 0.00 H new ATOM 0 HA CYS A 22 5.139 2.727 -5.337 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.464 1.173 -4.466 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.302 2.095 -2.985 1.00 0.00 H new ATOM 0 HG CYS A 22 1.388 2.465 -5.460 1.00 0.00 H new ATOM 333 N VAL A 23 4.811 4.478 -2.541 1.00 0.00 N ATOM 334 CA VAL A 23 4.793 5.850 -2.041 1.00 0.00 C ATOM 335 C VAL A 23 6.112 6.549 -2.396 1.00 0.00 C ATOM 336 O VAL A 23 6.111 7.656 -2.930 1.00 0.00 O ATOM 337 CB VAL A 23 4.619 5.847 -0.529 1.00 0.00 C ATOM 338 CG1 VAL A 23 4.457 7.285 0.004 1.00 0.00 C ATOM 339 CG2 VAL A 23 3.394 5.021 -0.144 1.00 0.00 C ATOM 0 H VAL A 23 4.770 3.755 -1.823 1.00 0.00 H new ATOM 0 HA VAL A 23 3.961 6.383 -2.502 1.00 0.00 H new ATOM 0 HB VAL A 23 5.510 5.405 -0.084 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.334 7.260 1.087 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.343 7.868 -0.247 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.579 7.745 -0.450 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.278 5.025 0.940 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.505 5.451 -0.605 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.523 3.996 -0.491 1.00 0.00 H new ATOM 349 N ALA A 24 7.242 5.906 -2.085 1.00 0.00 N ATOM 350 CA ALA A 24 8.548 6.495 -2.374 1.00 0.00 C ATOM 351 C ALA A 24 8.567 7.061 -3.783 1.00 0.00 C ATOM 352 O ALA A 24 8.885 8.225 -3.986 1.00 0.00 O ATOM 353 CB ALA A 24 9.634 5.432 -2.229 1.00 0.00 C ATOM 0 H ALA A 24 7.277 4.989 -1.639 1.00 0.00 H new ATOM 0 HA ALA A 24 8.737 7.303 -1.667 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.607 5.874 -2.445 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.630 5.044 -1.210 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.442 4.618 -2.928 1.00 0.00 H new ATOM 359 N GLY A 25 8.232 6.225 -4.751 1.00 0.00 N ATOM 360 CA GLY A 25 8.218 6.665 -6.139 1.00 0.00 C ATOM 361 C GLY A 25 7.190 7.772 -6.341 1.00 0.00 C ATOM 362 O GLY A 25 7.454 8.759 -7.030 1.00 0.00 O ATOM 0 H GLY A 25 7.969 5.250 -4.607 1.00 0.00 H new ATOM 0 HA2 GLY A 25 9.207 7.024 -6.422 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.986 5.823 -6.791 1.00 0.00 H new ATOM 366 N HIS A 26 6.016 7.605 -5.741 1.00 0.00 N ATOM 367 CA HIS A 26 4.957 8.601 -5.875 1.00 0.00 C ATOM 368 C HIS A 26 5.441 9.979 -5.446 1.00 0.00 C ATOM 369 O HIS A 26 5.331 10.942 -6.204 1.00 0.00 O ATOM 370 CB HIS A 26 3.770 8.205 -5.001 1.00 0.00 C ATOM 371 CG HIS A 26 2.739 9.294 -5.011 1.00 0.00 C ATOM 372 ND1 HIS A 26 2.429 10.018 -6.149 1.00 0.00 N ATOM 373 CD2 HIS A 26 1.959 9.807 -4.010 1.00 0.00 C ATOM 374 CE1 HIS A 26 1.498 10.927 -5.807 1.00 0.00 C ATOM 375 NE2 HIS A 26 1.178 10.841 -4.514 1.00 0.00 N ATOM 0 H HIS A 26 5.774 6.800 -5.164 1.00 0.00 H new ATOM 0 HA HIS A 26 4.663 8.641 -6.924 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.333 7.276 -5.367 1.00 0.00 H new ATOM 0 HB3 HIS A 26 4.105 8.020 -3.980 1.00 0.00 H new ATOM 0 HD1 HIS A 26 2.832 9.887 -7.077 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.951 9.462 -2.987 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.063 11.638 -6.494 1.00 0.00 H new ATOM 384 N LEU A 27 5.969 10.080 -4.230 1.00 0.00 N ATOM 385 CA LEU A 27 6.446 11.364 -3.735 1.00 0.00 C ATOM 386 C LEU A 27 7.868 11.635 -4.215 1.00 0.00 C ATOM 387 O LEU A 27 8.239 12.779 -4.479 1.00 0.00 O ATOM 388 CB LEU A 27 6.395 11.345 -2.210 1.00 0.00 C ATOM 389 CG LEU A 27 4.937 11.423 -1.729 1.00 0.00 C ATOM 390 CD1 LEU A 27 4.880 11.151 -0.221 1.00 0.00 C ATOM 391 CD2 LEU A 27 4.344 12.819 -2.020 1.00 0.00 C ATOM 0 H LEU A 27 6.076 9.302 -3.580 1.00 0.00 H new ATOM 0 HA LEU A 27 5.810 12.162 -4.119 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.862 10.435 -1.834 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.964 12.184 -1.809 1.00 0.00 H new ATOM 0 HG LEU A 27 4.353 10.674 -2.263 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.846 11.206 0.120 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.277 10.157 -0.015 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.476 11.896 0.306 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.311 12.855 -1.673 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.929 13.578 -1.500 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.373 13.010 -3.093 1.00 0.00 H new ATOM 403 N GLY A 28 8.658 10.575 -4.327 1.00 0.00 N ATOM 404 CA GLY A 28 10.048 10.677 -4.775 1.00 0.00 C ATOM 405 C GLY A 28 11.021 10.643 -3.596 1.00 0.00 C ATOM 406 O GLY A 28 12.236 10.629 -3.790 1.00 0.00 O ATOM 0 H GLY A 28 8.359 9.624 -4.112 1.00 0.00 H new ATOM 0 HA2 GLY A 28 10.273 9.857 -5.457 1.00 0.00 H new ATOM 0 HA3 GLY A 28 10.184 11.603 -5.334 1.00 0.00 H new ATOM 410 N LEU A 29 10.489 10.632 -2.376 1.00 0.00 N ATOM 411 CA LEU A 29 11.334 10.609 -1.186 1.00 0.00 C ATOM 412 C LEU A 29 12.006 9.249 -1.052 1.00 0.00 C ATOM 413 O LEU A 29 11.840 8.380 -1.907 1.00 0.00 O ATOM 414 CB LEU A 29 10.493 10.892 0.063 1.00 0.00 C ATOM 415 CG LEU A 29 9.701 12.185 -0.131 1.00 0.00 C ATOM 416 CD1 LEU A 29 8.795 12.419 1.081 1.00 0.00 C ATOM 417 CD2 LEU A 29 10.661 13.376 -0.297 1.00 0.00 C ATOM 0 H LEU A 29 9.487 10.639 -2.187 1.00 0.00 H new ATOM 0 HA LEU A 29 12.098 11.380 -1.284 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.812 10.062 0.250 1.00 0.00 H new ATOM 0 HB3 LEU A 29 11.139 10.978 0.937 1.00 0.00 H new ATOM 0 HG LEU A 29 9.091 12.095 -1.030 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.231 13.341 0.941 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.103 11.583 1.185 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.405 12.500 1.981 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.085 14.291 -0.434 1.00 0.00 H new ATOM 0 HD22 LEU A 29 11.283 13.469 0.593 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.296 13.213 -1.168 1.00 0.00 H new ATOM 429 N ASP A 30 12.769 9.074 0.021 1.00 0.00 N ATOM 430 CA ASP A 30 13.462 7.812 0.252 1.00 0.00 C ATOM 431 C ASP A 30 12.522 6.786 0.878 1.00 0.00 C ATOM 432 O ASP A 30 11.810 7.085 1.838 1.00 0.00 O ATOM 433 CB ASP A 30 14.667 8.047 1.173 1.00 0.00 C ATOM 434 CG ASP A 30 15.839 8.607 0.375 1.00 0.00 C ATOM 435 OD1 ASP A 30 16.178 8.014 -0.636 1.00 0.00 O ATOM 436 OD2 ASP A 30 16.378 9.620 0.787 1.00 0.00 O ATOM 0 H ASP A 30 12.923 9.783 0.738 1.00 0.00 H new ATOM 0 HA ASP A 30 13.806 7.423 -0.706 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.396 8.740 1.969 1.00 0.00 H new ATOM 0 HB3 ASP A 30 14.957 7.111 1.650 1.00 0.00 H new ATOM 441 N ALA A 31 12.537 5.572 0.334 1.00 0.00 N ATOM 442 CA ALA A 31 11.690 4.496 0.840 1.00 0.00 C ATOM 443 C ALA A 31 12.019 4.177 2.293 1.00 0.00 C ATOM 444 O ALA A 31 11.121 3.893 3.094 1.00 0.00 O ATOM 445 CB ALA A 31 11.874 3.242 -0.008 1.00 0.00 C ATOM 0 H ALA A 31 13.126 5.309 -0.456 1.00 0.00 H new ATOM 0 HA ALA A 31 10.654 4.829 0.782 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.238 2.445 0.378 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.600 3.458 -1.041 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.916 2.925 0.032 1.00 0.00 H new ATOM 451 N ALA A 32 13.301 4.244 2.639 1.00 0.00 N ATOM 452 CA ALA A 32 13.734 3.951 4.000 1.00 0.00 C ATOM 453 C ALA A 32 13.197 4.976 4.987 1.00 0.00 C ATOM 454 O ALA A 32 13.280 4.781 6.199 1.00 0.00 O ATOM 455 CB ALA A 32 15.261 3.940 4.057 1.00 0.00 C ATOM 0 H ALA A 32 14.054 4.497 1.999 1.00 0.00 H new ATOM 0 HA ALA A 32 13.341 2.973 4.279 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.586 3.721 5.074 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.645 3.176 3.381 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.643 4.915 3.756 1.00 0.00 H new ATOM 461 N THR A 33 12.649 6.071 4.472 1.00 0.00 N ATOM 462 CA THR A 33 12.106 7.119 5.332 1.00 0.00 C ATOM 463 C THR A 33 10.759 7.588 4.808 1.00 0.00 C ATOM 464 O THR A 33 10.406 8.761 4.927 1.00 0.00 O ATOM 465 CB THR A 33 13.094 8.291 5.408 1.00 0.00 C ATOM 466 OG1 THR A 33 13.732 8.444 4.151 1.00 0.00 O ATOM 467 CG2 THR A 33 14.155 8.010 6.484 1.00 0.00 C ATOM 0 H THR A 33 12.569 6.257 3.472 1.00 0.00 H new ATOM 0 HA THR A 33 11.960 6.717 6.334 1.00 0.00 H new ATOM 0 HB THR A 33 12.554 9.203 5.665 1.00 0.00 H new ATOM 0 HG1 THR A 33 14.363 9.193 4.193 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.853 8.845 6.533 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.668 7.886 7.451 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.697 7.099 6.231 1.00 0.00 H new ATOM 475 N ILE A 34 9.997 6.667 4.237 1.00 0.00 N ATOM 476 CA ILE A 34 8.685 7.043 3.729 1.00 0.00 C ATOM 477 C ILE A 34 7.710 7.273 4.875 1.00 0.00 C ATOM 478 O ILE A 34 7.351 8.413 5.169 1.00 0.00 O ATOM 479 CB ILE A 34 8.161 5.945 2.766 1.00 0.00 C ATOM 480 CG1 ILE A 34 8.582 6.299 1.333 1.00 0.00 C ATOM 481 CG2 ILE A 34 6.633 5.789 2.808 1.00 0.00 C ATOM 482 CD1 ILE A 34 7.781 7.498 0.790 1.00 0.00 C ATOM 0 H ILE A 34 10.251 5.687 4.116 1.00 0.00 H new ATOM 0 HA ILE A 34 8.774 7.978 3.177 1.00 0.00 H new ATOM 0 HB ILE A 34 8.594 4.998 3.089 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.647 6.532 1.312 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.432 5.436 0.685 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.328 5.006 2.113 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.322 5.519 3.817 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.163 6.730 2.523 1.00 0.00 H new ATOM 0 HD11 ILE A 34 8.105 7.721 -0.227 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.719 7.255 0.787 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.952 8.367 1.425 1.00 0.00 H new ATOM 494 N ALA A 35 7.267 6.184 5.479 1.00 0.00 N ATOM 495 CA ALA A 35 6.302 6.257 6.556 1.00 0.00 C ATOM 496 C ALA A 35 5.743 4.868 6.851 1.00 0.00 C ATOM 497 O ALA A 35 4.655 4.748 7.395 1.00 0.00 O ATOM 498 CB ALA A 35 5.149 7.204 6.156 1.00 0.00 C ATOM 0 H ALA A 35 7.563 5.238 5.239 1.00 0.00 H new ATOM 0 HA ALA A 35 6.795 6.641 7.449 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.424 7.258 6.968 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.547 8.199 5.959 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.661 6.824 5.258 1.00 0.00 H new ATOM 504 N THR A 36 6.467 3.817 6.459 1.00 0.00 N ATOM 505 CA THR A 36 5.996 2.449 6.677 1.00 0.00 C ATOM 506 C THR A 36 5.289 2.330 8.021 1.00 0.00 C ATOM 507 O THR A 36 4.299 1.609 8.145 1.00 0.00 O ATOM 508 CB THR A 36 7.190 1.496 6.662 1.00 0.00 C ATOM 509 OG1 THR A 36 7.872 1.600 7.904 1.00 0.00 O ATOM 510 CG2 THR A 36 8.141 1.880 5.527 1.00 0.00 C ATOM 0 H THR A 36 7.372 3.886 5.994 1.00 0.00 H new ATOM 0 HA THR A 36 5.294 2.193 5.883 1.00 0.00 H new ATOM 0 HB THR A 36 6.845 0.474 6.509 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.640 0.991 7.907 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.992 1.199 5.519 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.615 1.816 4.574 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.495 2.900 5.678 1.00 0.00 H new ATOM 518 N ASP A 37 5.785 3.048 9.026 1.00 0.00 N ATOM 519 CA ASP A 37 5.177 3.017 10.351 1.00 0.00 C ATOM 520 C ASP A 37 4.209 4.185 10.521 1.00 0.00 C ATOM 521 O ASP A 37 3.342 4.160 11.394 1.00 0.00 O ATOM 522 CB ASP A 37 6.271 3.110 11.410 1.00 0.00 C ATOM 523 CG ASP A 37 5.687 2.811 12.784 1.00 0.00 C ATOM 524 OD1 ASP A 37 5.190 1.713 12.966 1.00 0.00 O ATOM 525 OD2 ASP A 37 5.746 3.685 13.631 1.00 0.00 O ATOM 0 H ASP A 37 6.601 3.654 8.948 1.00 0.00 H new ATOM 0 HA ASP A 37 4.626 2.083 10.465 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.070 2.404 11.183 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.714 4.106 11.402 1.00 0.00 H new ATOM 530 N LEU A 38 4.367 5.214 9.692 1.00 0.00 N ATOM 531 CA LEU A 38 3.508 6.394 9.771 1.00 0.00 C ATOM 532 C LEU A 38 2.386 6.324 8.729 1.00 0.00 C ATOM 533 O LEU A 38 2.536 5.695 7.681 1.00 0.00 O ATOM 534 CB LEU A 38 4.350 7.663 9.542 1.00 0.00 C ATOM 535 CG LEU A 38 5.070 8.061 10.845 1.00 0.00 C ATOM 536 CD1 LEU A 38 6.322 8.871 10.509 1.00 0.00 C ATOM 537 CD2 LEU A 38 4.142 8.907 11.723 1.00 0.00 C ATOM 0 H LEU A 38 5.078 5.256 8.961 1.00 0.00 H new ATOM 0 HA LEU A 38 3.056 6.427 10.762 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.081 7.487 8.753 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.709 8.479 9.207 1.00 0.00 H new ATOM 0 HG LEU A 38 5.349 7.156 11.386 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.831 9.153 11.431 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.991 8.269 9.894 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.038 9.770 9.962 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.661 9.183 12.641 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.854 9.810 11.184 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.250 8.331 11.969 1.00 0.00 H new ATOM 549 N PRO A 39 1.278 6.963 8.993 1.00 0.00 N ATOM 550 CA PRO A 39 0.130 6.984 8.051 1.00 0.00 C ATOM 551 C PRO A 39 0.453 7.767 6.775 1.00 0.00 C ATOM 552 O PRO A 39 1.534 8.339 6.639 1.00 0.00 O ATOM 553 CB PRO A 39 -0.993 7.663 8.857 1.00 0.00 C ATOM 554 CG PRO A 39 -0.288 8.482 9.890 1.00 0.00 C ATOM 555 CD PRO A 39 0.993 7.723 10.220 1.00 0.00 C ATOM 0 HA PRO A 39 -0.141 5.986 7.706 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.616 8.287 8.217 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.649 6.925 9.319 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -0.065 9.480 9.512 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.907 8.608 10.778 1.00 0.00 H new ATOM 0 HD2 PRO A 39 1.808 8.403 10.468 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.857 7.063 11.077 1.00 0.00 H new ATOM 563 N LEU A 40 -0.506 7.800 5.864 1.00 0.00 N ATOM 564 CA LEU A 40 -0.344 8.528 4.613 1.00 0.00 C ATOM 565 C LEU A 40 -0.470 10.031 4.840 1.00 0.00 C ATOM 566 O LEU A 40 0.061 10.835 4.075 1.00 0.00 O ATOM 567 CB LEU A 40 -1.390 8.063 3.585 1.00 0.00 C ATOM 568 CG LEU A 40 -2.792 8.584 3.957 1.00 0.00 C ATOM 569 CD1 LEU A 40 -3.779 8.246 2.841 1.00 0.00 C ATOM 570 CD2 LEU A 40 -3.249 7.944 5.270 1.00 0.00 C ATOM 0 H LEU A 40 -1.406 7.331 5.966 1.00 0.00 H new ATOM 0 HA LEU A 40 0.653 8.319 4.225 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.116 8.421 2.593 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.402 6.974 3.539 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.753 9.666 4.083 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.769 8.616 3.107 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.454 8.716 1.913 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.819 7.165 2.706 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.241 8.315 5.530 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.286 6.861 5.153 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.547 8.200 6.063 1.00 0.00 H new ATOM 582 N THR A 41 -1.198 10.397 5.890 1.00 0.00 N ATOM 583 CA THR A 41 -1.418 11.798 6.207 1.00 0.00 C ATOM 584 C THR A 41 -0.099 12.541 6.259 1.00 0.00 C ATOM 585 O THR A 41 -0.034 13.717 5.917 1.00 0.00 O ATOM 586 CB THR A 41 -2.145 11.938 7.545 1.00 0.00 C ATOM 587 OG1 THR A 41 -3.216 11.005 7.601 1.00 0.00 O ATOM 588 CG2 THR A 41 -2.698 13.358 7.683 1.00 0.00 C ATOM 0 H THR A 41 -1.644 9.742 6.533 1.00 0.00 H new ATOM 0 HA THR A 41 -2.038 12.232 5.423 1.00 0.00 H new ATOM 0 HB THR A 41 -1.447 11.741 8.359 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.682 11.093 8.459 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.216 13.456 8.637 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.877 14.074 7.641 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.396 13.557 6.870 1.00 0.00 H new ATOM 596 N SER A 42 0.947 11.859 6.713 1.00 0.00 N ATOM 597 CA SER A 42 2.261 12.474 6.821 1.00 0.00 C ATOM 598 C SER A 42 2.600 13.254 5.552 1.00 0.00 C ATOM 599 O SER A 42 3.273 14.283 5.609 1.00 0.00 O ATOM 600 CB SER A 42 3.317 11.388 7.044 1.00 0.00 C ATOM 601 OG SER A 42 4.608 11.940 6.819 1.00 0.00 O ATOM 0 H SER A 42 0.909 10.884 7.011 1.00 0.00 H new ATOM 0 HA SER A 42 2.252 13.164 7.664 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.247 10.998 8.059 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.143 10.550 6.368 1.00 0.00 H new ATOM 0 HG SER A 42 5.288 11.249 6.962 1.00 0.00 H new ATOM 607 N TYR A 43 2.135 12.762 4.406 1.00 0.00 N ATOM 608 CA TYR A 43 2.406 13.422 3.131 1.00 0.00 C ATOM 609 C TYR A 43 1.623 14.726 3.020 1.00 0.00 C ATOM 610 O TYR A 43 1.831 15.510 2.095 1.00 0.00 O ATOM 611 CB TYR A 43 2.031 12.481 1.982 1.00 0.00 C ATOM 612 CG TYR A 43 2.485 11.071 2.295 1.00 0.00 C ATOM 613 CD1 TYR A 43 3.703 10.839 2.957 1.00 0.00 C ATOM 614 CD2 TYR A 43 1.686 9.986 1.913 1.00 0.00 C ATOM 615 CE1 TYR A 43 4.112 9.533 3.233 1.00 0.00 C ATOM 616 CE2 TYR A 43 2.100 8.680 2.192 1.00 0.00 C ATOM 617 CZ TYR A 43 3.311 8.456 2.853 1.00 0.00 C ATOM 618 OH TYR A 43 3.717 7.168 3.128 1.00 0.00 O ATOM 0 H TYR A 43 1.572 11.914 4.334 1.00 0.00 H new ATOM 0 HA TYR A 43 3.468 13.660 3.075 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.952 12.498 1.825 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.493 12.823 1.056 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.323 11.672 3.253 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.750 10.158 1.403 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.049 9.356 3.741 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.484 7.844 1.897 1.00 0.00 H new ATOM 0 HH TYR A 43 3.045 6.536 2.798 1.00 0.00 H new ATOM 628 N GLY A 44 0.747 14.964 3.980 1.00 0.00 N ATOM 629 CA GLY A 44 -0.037 16.190 3.997 1.00 0.00 C ATOM 630 C GLY A 44 -0.956 16.267 2.788 1.00 0.00 C ATOM 631 O GLY A 44 -1.386 17.348 2.390 1.00 0.00 O ATOM 0 H GLY A 44 0.560 14.329 4.756 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.629 16.235 4.911 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.630 17.052 4.007 1.00 0.00 H new ATOM 635 N LEU A 45 -1.249 15.114 2.209 1.00 0.00 N ATOM 636 CA LEU A 45 -2.118 15.058 1.045 1.00 0.00 C ATOM 637 C LEU A 45 -3.571 15.389 1.406 1.00 0.00 C ATOM 638 O LEU A 45 -4.102 14.926 2.412 1.00 0.00 O ATOM 639 CB LEU A 45 -2.048 13.658 0.415 1.00 0.00 C ATOM 640 CG LEU A 45 -2.830 12.629 1.260 1.00 0.00 C ATOM 641 CD1 LEU A 45 -2.712 11.236 0.628 1.00 0.00 C ATOM 642 CD2 LEU A 45 -2.258 12.584 2.681 1.00 0.00 C ATOM 0 H LEU A 45 -0.900 14.209 2.524 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.771 15.806 0.332 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.456 13.689 -0.595 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.007 13.346 0.328 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.878 12.926 1.295 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.266 10.515 1.230 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.123 11.258 -0.381 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.663 10.943 0.586 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.813 11.857 3.274 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.208 12.295 2.642 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.346 13.569 3.140 1.00 0.00 H new ATOM 654 N ASP A 46 -4.212 16.196 0.580 1.00 0.00 N ATOM 655 CA ASP A 46 -5.600 16.561 0.833 1.00 0.00 C ATOM 656 C ASP A 46 -6.499 15.327 0.756 1.00 0.00 C ATOM 657 O ASP A 46 -6.046 14.238 0.402 1.00 0.00 O ATOM 658 CB ASP A 46 -6.059 17.593 -0.192 1.00 0.00 C ATOM 659 CG ASP A 46 -5.394 18.933 0.095 1.00 0.00 C ATOM 660 OD1 ASP A 46 -4.766 19.049 1.135 1.00 0.00 O ATOM 661 OD2 ASP A 46 -5.525 19.824 -0.727 1.00 0.00 O ATOM 0 H ASP A 46 -3.805 16.607 -0.260 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.671 16.987 1.834 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.805 17.258 -1.198 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.143 17.699 -0.155 1.00 0.00 H new ATOM 666 N SER A 47 -7.775 15.505 1.090 1.00 0.00 N ATOM 667 CA SER A 47 -8.732 14.404 1.055 1.00 0.00 C ATOM 668 C SER A 47 -9.000 13.961 -0.382 1.00 0.00 C ATOM 669 O SER A 47 -9.217 12.780 -0.649 1.00 0.00 O ATOM 670 CB SER A 47 -10.044 14.833 1.713 1.00 0.00 C ATOM 671 OG SER A 47 -9.855 14.926 3.118 1.00 0.00 O ATOM 0 H SER A 47 -8.168 16.398 1.387 1.00 0.00 H new ATOM 0 HA SER A 47 -8.306 13.564 1.604 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.368 15.794 1.313 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.830 14.113 1.487 1.00 0.00 H new ATOM 0 HG SER A 47 -10.694 15.202 3.543 1.00 0.00 H new ATOM 677 N VAL A 48 -8.983 14.921 -1.299 1.00 0.00 N ATOM 678 CA VAL A 48 -9.226 14.625 -2.706 1.00 0.00 C ATOM 679 C VAL A 48 -8.096 13.777 -3.276 1.00 0.00 C ATOM 680 O VAL A 48 -8.279 13.054 -4.254 1.00 0.00 O ATOM 681 CB VAL A 48 -9.351 15.926 -3.503 1.00 0.00 C ATOM 682 CG1 VAL A 48 -10.504 16.759 -2.940 1.00 0.00 C ATOM 683 CG2 VAL A 48 -8.048 16.722 -3.393 1.00 0.00 C ATOM 0 H VAL A 48 -8.805 15.905 -1.096 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.158 14.066 -2.785 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.546 15.692 -4.550 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -10.594 17.686 -3.507 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.433 16.194 -3.018 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.308 16.991 -1.893 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -8.138 17.648 -3.961 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -7.852 16.956 -2.347 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.225 16.130 -3.793 1.00 0.00 H new ATOM 693 N TYR A 49 -6.927 13.878 -2.660 1.00 0.00 N ATOM 694 CA TYR A 49 -5.773 13.119 -3.119 1.00 0.00 C ATOM 695 C TYR A 49 -6.025 11.618 -2.978 1.00 0.00 C ATOM 696 O TYR A 49 -5.800 10.845 -3.909 1.00 0.00 O ATOM 697 CB TYR A 49 -4.521 13.529 -2.302 1.00 0.00 C ATOM 698 CG TYR A 49 -3.375 13.885 -3.228 1.00 0.00 C ATOM 699 CD1 TYR A 49 -3.550 14.895 -4.179 1.00 0.00 C ATOM 700 CD2 TYR A 49 -2.154 13.207 -3.141 1.00 0.00 C ATOM 701 CE1 TYR A 49 -2.507 15.227 -5.046 1.00 0.00 C ATOM 702 CE2 TYR A 49 -1.112 13.540 -4.004 1.00 0.00 C ATOM 703 CZ TYR A 49 -1.286 14.551 -4.959 1.00 0.00 C ATOM 704 OH TYR A 49 -0.259 14.874 -5.820 1.00 0.00 O ATOM 0 H TYR A 49 -6.753 14.472 -1.849 1.00 0.00 H new ATOM 0 HA TYR A 49 -5.604 13.340 -4.173 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.759 14.380 -1.664 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.225 12.711 -1.645 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.492 15.419 -4.243 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.020 12.427 -2.406 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.643 16.005 -5.783 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.169 13.018 -3.937 1.00 0.00 H new ATOM 0 HH TYR A 49 0.520 14.312 -5.626 1.00 0.00 H new ATOM 714 N ALA A 50 -6.480 11.211 -1.801 1.00 0.00 N ATOM 715 CA ALA A 50 -6.739 9.802 -1.545 1.00 0.00 C ATOM 716 C ALA A 50 -7.590 9.209 -2.653 1.00 0.00 C ATOM 717 O ALA A 50 -7.340 8.097 -3.112 1.00 0.00 O ATOM 718 CB ALA A 50 -7.458 9.639 -0.207 1.00 0.00 C ATOM 0 H ALA A 50 -6.676 11.831 -1.015 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.785 9.276 -1.511 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.648 8.582 -0.023 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.835 10.040 0.592 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.405 10.179 -0.235 1.00 0.00 H new ATOM 724 N LEU A 51 -8.596 9.952 -3.076 1.00 0.00 N ATOM 725 CA LEU A 51 -9.478 9.475 -4.125 1.00 0.00 C ATOM 726 C LEU A 51 -8.680 9.040 -5.353 1.00 0.00 C ATOM 727 O LEU A 51 -8.752 7.882 -5.778 1.00 0.00 O ATOM 728 CB LEU A 51 -10.454 10.588 -4.520 1.00 0.00 C ATOM 729 CG LEU A 51 -11.422 10.092 -5.631 1.00 0.00 C ATOM 730 CD1 LEU A 51 -12.846 10.568 -5.333 1.00 0.00 C ATOM 731 CD2 LEU A 51 -10.983 10.645 -6.998 1.00 0.00 C ATOM 0 H LEU A 51 -8.821 10.879 -2.714 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.029 8.614 -3.746 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.024 10.906 -3.648 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.900 11.458 -4.873 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.397 9.003 -5.654 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.518 10.217 -6.116 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -13.169 10.170 -4.371 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.866 11.657 -5.300 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -11.667 10.292 -7.770 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.997 11.735 -6.971 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.974 10.301 -7.223 1.00 0.00 H new ATOM 743 N SER A 52 -7.912 9.966 -5.916 1.00 0.00 N ATOM 744 CA SER A 52 -7.110 9.660 -7.092 1.00 0.00 C ATOM 745 C SER A 52 -6.013 8.661 -6.761 1.00 0.00 C ATOM 746 O SER A 52 -5.810 7.685 -7.481 1.00 0.00 O ATOM 747 CB SER A 52 -6.477 10.941 -7.629 1.00 0.00 C ATOM 748 OG SER A 52 -5.781 10.651 -8.834 1.00 0.00 O ATOM 0 H SER A 52 -7.829 10.926 -5.580 1.00 0.00 H new ATOM 0 HA SER A 52 -7.765 9.221 -7.845 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.246 11.692 -7.811 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.792 11.359 -6.891 1.00 0.00 H new ATOM 0 HG SER A 52 -5.374 11.472 -9.183 1.00 0.00 H new ATOM 754 N ILE A 53 -5.304 8.916 -5.672 1.00 0.00 N ATOM 755 CA ILE A 53 -4.219 8.037 -5.263 1.00 0.00 C ATOM 756 C ILE A 53 -4.744 6.647 -4.944 1.00 0.00 C ATOM 757 O ILE A 53 -4.387 5.671 -5.599 1.00 0.00 O ATOM 758 CB ILE A 53 -3.525 8.615 -4.026 1.00 0.00 C ATOM 759 CG1 ILE A 53 -3.049 10.060 -4.317 1.00 0.00 C ATOM 760 CG2 ILE A 53 -2.328 7.731 -3.638 1.00 0.00 C ATOM 761 CD1 ILE A 53 -1.668 10.050 -4.979 1.00 0.00 C ATOM 0 H ILE A 53 -5.458 9.717 -5.060 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.507 7.962 -6.085 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.231 8.637 -3.196 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.766 10.561 -4.967 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -3.009 10.629 -3.388 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.839 8.147 -2.758 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.677 6.723 -3.416 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.619 7.696 -4.465 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.351 11.074 -5.175 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.950 9.569 -4.315 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.719 9.500 -5.918 1.00 0.00 H new ATOM 773 N ALA A 54 -5.613 6.560 -3.948 1.00 0.00 N ATOM 774 CA ALA A 54 -6.172 5.278 -3.563 1.00 0.00 C ATOM 775 C ALA A 54 -6.655 4.519 -4.788 1.00 0.00 C ATOM 776 O ALA A 54 -6.517 3.300 -4.855 1.00 0.00 O ATOM 777 CB ALA A 54 -7.338 5.484 -2.599 1.00 0.00 C ATOM 0 H ALA A 54 -5.942 7.354 -3.398 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.393 4.697 -3.070 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.751 4.516 -2.316 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.986 6.003 -1.708 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -8.111 6.080 -3.085 1.00 0.00 H new ATOM 783 N ALA A 55 -7.206 5.248 -5.760 1.00 0.00 N ATOM 784 CA ALA A 55 -7.686 4.618 -6.984 1.00 0.00 C ATOM 785 C ALA A 55 -6.522 4.063 -7.802 1.00 0.00 C ATOM 786 O ALA A 55 -6.596 2.965 -8.332 1.00 0.00 O ATOM 787 CB ALA A 55 -8.463 5.632 -7.820 1.00 0.00 C ATOM 0 H ALA A 55 -7.328 6.260 -5.723 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.342 3.792 -6.709 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.819 5.155 -8.733 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.314 6.000 -7.247 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.811 6.467 -8.077 1.00 0.00 H new ATOM 793 N GLU A 56 -5.453 4.835 -7.914 1.00 0.00 N ATOM 794 CA GLU A 56 -4.288 4.399 -8.685 1.00 0.00 C ATOM 795 C GLU A 56 -3.594 3.206 -8.012 1.00 0.00 C ATOM 796 O GLU A 56 -3.293 2.185 -8.653 1.00 0.00 O ATOM 797 CB GLU A 56 -3.299 5.563 -8.813 1.00 0.00 C ATOM 798 CG GLU A 56 -3.866 6.624 -9.759 1.00 0.00 C ATOM 799 CD GLU A 56 -3.881 6.096 -11.189 1.00 0.00 C ATOM 800 OE1 GLU A 56 -3.061 5.245 -11.493 1.00 0.00 O ATOM 801 OE2 GLU A 56 -4.709 6.554 -11.960 1.00 0.00 O ATOM 0 H GLU A 56 -5.362 5.757 -7.488 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.625 4.085 -9.673 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.110 6.001 -7.833 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.343 5.200 -9.190 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.877 6.894 -9.452 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.264 7.531 -9.704 1.00 0.00 H new ATOM 808 N LEU A 57 -3.358 3.336 -6.712 1.00 0.00 N ATOM 809 CA LEU A 57 -2.701 2.273 -5.953 1.00 0.00 C ATOM 810 C LEU A 57 -3.475 0.983 -6.091 1.00 0.00 C ATOM 811 O LEU A 57 -2.934 -0.010 -6.530 1.00 0.00 O ATOM 812 CB LEU A 57 -2.614 2.671 -4.467 1.00 0.00 C ATOM 813 CG LEU A 57 -1.354 3.517 -4.232 1.00 0.00 C ATOM 814 CD1 LEU A 57 -1.397 4.777 -5.086 1.00 0.00 C ATOM 815 CD2 LEU A 57 -1.268 3.901 -2.756 1.00 0.00 C ATOM 0 H LEU A 57 -3.608 4.158 -6.163 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.695 2.127 -6.346 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.501 3.235 -4.179 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.586 1.778 -3.842 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.477 2.933 -4.511 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.498 5.367 -4.909 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.449 4.501 -6.139 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.275 5.366 -4.822 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.374 4.502 -2.588 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -2.150 4.478 -2.478 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.218 2.998 -2.147 1.00 0.00 H new ATOM 827 N GLU A 58 -4.735 1.001 -5.705 1.00 0.00 N ATOM 828 CA GLU A 58 -5.552 -0.203 -5.781 1.00 0.00 C ATOM 829 C GLU A 58 -5.714 -0.685 -7.215 1.00 0.00 C ATOM 830 O GLU A 58 -5.772 -1.889 -7.470 1.00 0.00 O ATOM 831 CB GLU A 58 -6.919 0.068 -5.181 1.00 0.00 C ATOM 832 CG GLU A 58 -7.664 1.147 -5.990 1.00 0.00 C ATOM 833 CD GLU A 58 -8.583 0.524 -7.047 1.00 0.00 C ATOM 834 OE1 GLU A 58 -8.263 -0.544 -7.538 1.00 0.00 O ATOM 835 OE2 GLU A 58 -9.595 1.134 -7.352 1.00 0.00 O ATOM 0 H GLU A 58 -5.215 1.823 -5.339 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.044 -0.986 -5.218 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.504 -0.852 -5.166 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.810 0.393 -4.146 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.253 1.767 -5.315 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.941 1.802 -6.476 1.00 0.00 H new ATOM 842 N ASP A 59 -5.801 0.255 -8.146 1.00 0.00 N ATOM 843 CA ASP A 59 -5.976 -0.091 -9.553 1.00 0.00 C ATOM 844 C ASP A 59 -4.811 -0.951 -10.026 1.00 0.00 C ATOM 845 O ASP A 59 -4.938 -1.712 -10.982 1.00 0.00 O ATOM 846 CB ASP A 59 -6.057 1.189 -10.401 1.00 0.00 C ATOM 847 CG ASP A 59 -7.479 1.758 -10.403 1.00 0.00 C ATOM 848 OD1 ASP A 59 -8.366 1.109 -9.873 1.00 0.00 O ATOM 849 OD2 ASP A 59 -7.656 2.845 -10.928 1.00 0.00 O ATOM 0 H ASP A 59 -5.754 1.256 -7.957 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.903 -0.654 -9.667 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.364 1.934 -10.009 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.747 0.972 -11.423 1.00 0.00 H new ATOM 854 N HIS A 60 -3.681 -0.831 -9.346 1.00 0.00 N ATOM 855 CA HIS A 60 -2.510 -1.628 -9.710 1.00 0.00 C ATOM 856 C HIS A 60 -2.659 -3.076 -9.223 1.00 0.00 C ATOM 857 O HIS A 60 -2.186 -4.009 -9.873 1.00 0.00 O ATOM 858 CB HIS A 60 -1.238 -0.986 -9.122 1.00 0.00 C ATOM 859 CG HIS A 60 -0.617 -0.071 -10.126 1.00 0.00 C ATOM 860 ND1 HIS A 60 -1.378 0.791 -10.896 1.00 0.00 N ATOM 861 CD2 HIS A 60 0.681 0.132 -10.495 1.00 0.00 C ATOM 862 CE1 HIS A 60 -0.534 1.471 -11.687 1.00 0.00 C ATOM 863 NE2 HIS A 60 0.736 1.108 -11.482 1.00 0.00 N ATOM 0 H HIS A 60 -3.546 -0.203 -8.553 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.427 -1.649 -10.797 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.486 -0.432 -8.217 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -0.528 -1.762 -8.836 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.534 -0.386 -10.083 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -0.843 2.220 -12.402 1.00 0.00 H new ATOM 0 HE2 HIS A 60 1.567 1.470 -11.950 1.00 0.00 H new ATOM 872 N LEU A 61 -3.310 -3.258 -8.076 1.00 0.00 N ATOM 873 CA LEU A 61 -3.506 -4.595 -7.512 1.00 0.00 C ATOM 874 C LEU A 61 -4.904 -5.099 -7.815 1.00 0.00 C ATOM 875 O LEU A 61 -5.366 -6.062 -7.211 1.00 0.00 O ATOM 876 CB LEU A 61 -3.272 -4.578 -5.991 1.00 0.00 C ATOM 877 CG LEU A 61 -1.944 -3.879 -5.659 1.00 0.00 C ATOM 878 CD1 LEU A 61 -0.820 -4.446 -6.535 1.00 0.00 C ATOM 879 CD2 LEU A 61 -2.087 -2.366 -5.892 1.00 0.00 C ATOM 0 H LEU A 61 -3.710 -2.502 -7.520 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.782 -5.269 -7.971 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.095 -4.062 -5.496 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.259 -5.598 -5.608 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.694 -4.057 -4.613 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.117 -3.945 -6.293 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.718 -5.515 -6.350 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -1.059 -4.281 -7.586 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.145 -1.871 -5.656 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.343 -2.181 -6.935 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.875 -1.972 -5.250 1.00 0.00 H new ATOM 891 N ASP A 62 -5.565 -4.460 -8.774 1.00 0.00 N ATOM 892 CA ASP A 62 -6.904 -4.872 -9.170 1.00 0.00 C ATOM 893 C ASP A 62 -7.763 -5.201 -7.959 1.00 0.00 C ATOM 894 O ASP A 62 -8.183 -6.346 -7.781 1.00 0.00 O ATOM 895 CB ASP A 62 -6.809 -6.103 -10.048 1.00 0.00 C ATOM 896 CG ASP A 62 -6.250 -5.725 -11.424 1.00 0.00 C ATOM 897 OD1 ASP A 62 -6.208 -4.541 -11.720 1.00 0.00 O ATOM 898 OD2 ASP A 62 -5.876 -6.624 -12.159 1.00 0.00 O ATOM 0 H ASP A 62 -5.197 -3.660 -9.288 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.366 -4.046 -9.711 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.166 -6.847 -9.577 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.794 -6.557 -10.159 1.00 0.00 H new ATOM 903 N VAL A 63 -8.012 -4.201 -7.133 1.00 0.00 N ATOM 904 CA VAL A 63 -8.815 -4.387 -5.928 1.00 0.00 C ATOM 905 C VAL A 63 -9.630 -3.134 -5.640 1.00 0.00 C ATOM 906 O VAL A 63 -9.252 -2.035 -6.031 1.00 0.00 O ATOM 907 CB VAL A 63 -7.895 -4.700 -4.736 1.00 0.00 C ATOM 908 CG1 VAL A 63 -7.499 -6.167 -4.765 1.00 0.00 C ATOM 909 CG2 VAL A 63 -6.620 -3.858 -4.821 1.00 0.00 C ATOM 0 H VAL A 63 -7.672 -3.249 -7.271 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.499 -5.221 -6.083 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.432 -4.471 -3.815 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.847 -6.385 -3.919 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.394 -6.787 -4.703 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.972 -6.383 -5.694 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.975 -4.087 -3.972 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.094 -4.086 -5.748 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.881 -2.800 -4.803 1.00 0.00 H new ATOM 919 N SER A 64 -10.765 -3.305 -4.969 1.00 0.00 N ATOM 920 CA SER A 64 -11.641 -2.184 -4.644 1.00 0.00 C ATOM 921 C SER A 64 -11.569 -1.886 -3.157 1.00 0.00 C ATOM 922 O SER A 64 -11.817 -2.759 -2.326 1.00 0.00 O ATOM 923 CB SER A 64 -13.075 -2.524 -5.014 1.00 0.00 C ATOM 924 OG SER A 64 -13.212 -2.521 -6.431 1.00 0.00 O ATOM 0 H SER A 64 -11.100 -4.210 -4.639 1.00 0.00 H new ATOM 0 HA SER A 64 -11.316 -1.310 -5.208 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.343 -3.502 -4.614 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.758 -1.800 -4.570 1.00 0.00 H new ATOM 0 HG SER A 64 -14.136 -2.742 -6.671 1.00 0.00 H new ATOM 930 N LEU A 65 -11.209 -0.651 -2.829 1.00 0.00 N ATOM 931 CA LEU A 65 -11.084 -0.236 -1.436 1.00 0.00 C ATOM 932 C LEU A 65 -12.271 0.606 -1.037 1.00 0.00 C ATOM 933 O LEU A 65 -12.934 1.199 -1.889 1.00 0.00 O ATOM 934 CB LEU A 65 -9.798 0.560 -1.245 1.00 0.00 C ATOM 935 CG LEU A 65 -8.602 -0.391 -1.332 1.00 0.00 C ATOM 936 CD1 LEU A 65 -8.502 -0.994 -2.732 1.00 0.00 C ATOM 937 CD2 LEU A 65 -7.314 0.385 -1.000 1.00 0.00 C ATOM 0 H LEU A 65 -10.998 0.081 -3.508 1.00 0.00 H new ATOM 0 HA LEU A 65 -11.052 -1.124 -0.805 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.719 1.335 -2.008 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.808 1.064 -0.279 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.736 -1.202 -0.617 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -7.647 -1.668 -2.778 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.413 -1.549 -2.955 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -8.375 -0.196 -3.464 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.458 -0.287 -1.060 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.186 1.200 -1.713 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -7.385 0.793 0.008 1.00 0.00 H new ATOM 949 N ASP A 66 -12.549 0.653 0.263 1.00 0.00 N ATOM 950 CA ASP A 66 -13.682 1.424 0.755 1.00 0.00 C ATOM 951 C ASP A 66 -13.234 2.802 1.277 1.00 0.00 C ATOM 952 O ASP A 66 -12.142 2.938 1.818 1.00 0.00 O ATOM 953 CB ASP A 66 -14.399 0.634 1.873 1.00 0.00 C ATOM 954 CG ASP A 66 -15.733 0.075 1.368 1.00 0.00 C ATOM 955 OD1 ASP A 66 -16.503 0.845 0.813 1.00 0.00 O ATOM 956 OD2 ASP A 66 -15.959 -1.110 1.539 1.00 0.00 O ATOM 0 H ASP A 66 -12.012 0.172 0.985 1.00 0.00 H new ATOM 0 HA ASP A 66 -14.372 1.591 -0.072 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.762 -0.182 2.214 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.572 1.284 2.731 1.00 0.00 H new ATOM 961 N PRO A 67 -14.065 3.811 1.152 1.00 0.00 N ATOM 962 CA PRO A 67 -13.739 5.182 1.652 1.00 0.00 C ATOM 963 C PRO A 67 -13.286 5.187 3.120 1.00 0.00 C ATOM 964 O PRO A 67 -12.124 5.460 3.424 1.00 0.00 O ATOM 965 CB PRO A 67 -15.063 5.956 1.491 1.00 0.00 C ATOM 966 CG PRO A 67 -15.836 5.222 0.445 1.00 0.00 C ATOM 967 CD PRO A 67 -15.400 3.761 0.520 1.00 0.00 C ATOM 0 HA PRO A 67 -12.907 5.620 1.102 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -15.613 5.991 2.432 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -14.879 6.988 1.190 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -16.908 5.315 0.620 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -15.637 5.635 -0.544 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -16.098 3.167 1.111 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -15.355 3.308 -0.470 1.00 0.00 H new ATOM 975 N THR A 68 -14.217 4.895 4.023 1.00 0.00 N ATOM 976 CA THR A 68 -13.915 4.888 5.450 1.00 0.00 C ATOM 977 C THR A 68 -12.882 3.820 5.775 1.00 0.00 C ATOM 978 O THR A 68 -12.203 3.889 6.799 1.00 0.00 O ATOM 979 CB THR A 68 -15.195 4.627 6.251 1.00 0.00 C ATOM 980 OG1 THR A 68 -15.792 3.417 5.806 1.00 0.00 O ATOM 981 CG2 THR A 68 -16.175 5.785 6.052 1.00 0.00 C ATOM 0 H THR A 68 -15.183 4.661 3.793 1.00 0.00 H new ATOM 0 HA THR A 68 -13.507 5.862 5.721 1.00 0.00 H new ATOM 0 HB THR A 68 -14.948 4.544 7.309 1.00 0.00 H new ATOM 0 HG1 THR A 68 -16.610 3.248 6.319 1.00 0.00 H new ATOM 0 HG21 THR A 68 -17.084 5.595 6.623 1.00 0.00 H new ATOM 0 HG22 THR A 68 -15.717 6.712 6.396 1.00 0.00 H new ATOM 0 HG23 THR A 68 -16.423 5.874 4.994 1.00 0.00 H new ATOM 989 N LEU A 69 -12.761 2.841 4.892 1.00 0.00 N ATOM 990 CA LEU A 69 -11.795 1.770 5.091 1.00 0.00 C ATOM 991 C LEU A 69 -10.369 2.284 4.903 1.00 0.00 C ATOM 992 O LEU A 69 -9.473 1.952 5.673 1.00 0.00 O ATOM 993 CB LEU A 69 -12.079 0.630 4.114 1.00 0.00 C ATOM 994 CG LEU A 69 -11.079 -0.519 4.343 1.00 0.00 C ATOM 995 CD1 LEU A 69 -11.668 -1.809 3.766 1.00 0.00 C ATOM 996 CD2 LEU A 69 -9.701 -0.213 3.686 1.00 0.00 C ATOM 0 H LEU A 69 -13.314 2.765 4.038 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.891 1.400 6.112 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -13.098 0.269 4.250 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -12.003 0.991 3.088 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.911 -0.632 5.414 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.968 -2.630 3.922 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.610 -2.035 4.266 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.846 -1.682 2.698 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.019 -1.044 3.867 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.832 -0.078 2.612 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.286 0.697 4.118 1.00 0.00 H new ATOM 1008 N ILE A 70 -10.165 3.106 3.883 1.00 0.00 N ATOM 1009 CA ILE A 70 -8.841 3.654 3.616 1.00 0.00 C ATOM 1010 C ILE A 70 -8.290 4.336 4.865 1.00 0.00 C ATOM 1011 O ILE A 70 -7.097 4.255 5.153 1.00 0.00 O ATOM 1012 CB ILE A 70 -8.917 4.652 2.455 1.00 0.00 C ATOM 1013 CG1 ILE A 70 -9.185 3.896 1.142 1.00 0.00 C ATOM 1014 CG2 ILE A 70 -7.594 5.415 2.340 1.00 0.00 C ATOM 1015 CD1 ILE A 70 -9.734 4.865 0.093 1.00 0.00 C ATOM 0 H ILE A 70 -10.891 3.406 3.232 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.169 2.841 3.341 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.727 5.357 2.642 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.265 3.437 0.781 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.897 3.089 1.314 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.653 6.123 1.513 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.404 5.955 3.267 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.782 4.711 2.157 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.923 4.327 -0.836 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.664 5.303 0.454 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.006 5.656 -0.088 1.00 0.00 H new ATOM 1027 N TRP A 71 -9.166 5.007 5.597 1.00 0.00 N ATOM 1028 CA TRP A 71 -8.753 5.694 6.812 1.00 0.00 C ATOM 1029 C TRP A 71 -8.549 4.695 7.946 1.00 0.00 C ATOM 1030 O TRP A 71 -8.090 5.061 9.028 1.00 0.00 O ATOM 1031 CB TRP A 71 -9.809 6.727 7.211 1.00 0.00 C ATOM 1032 CG TRP A 71 -9.780 7.868 6.246 1.00 0.00 C ATOM 1033 CD1 TRP A 71 -10.707 8.098 5.287 1.00 0.00 C ATOM 1034 CD2 TRP A 71 -8.792 8.933 6.126 1.00 0.00 C ATOM 1035 NE1 TRP A 71 -10.351 9.239 4.588 1.00 0.00 N ATOM 1036 CE2 TRP A 71 -9.178 9.789 5.066 1.00 0.00 C ATOM 1037 CE3 TRP A 71 -7.611 9.237 6.828 1.00 0.00 C ATOM 1038 CZ2 TRP A 71 -8.417 10.905 4.715 1.00 0.00 C ATOM 1039 CZ3 TRP A 71 -6.845 10.360 6.476 1.00 0.00 C ATOM 1040 CH2 TRP A 71 -7.246 11.192 5.422 1.00 0.00 C ATOM 0 H TRP A 71 -10.158 5.091 5.375 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.808 6.202 6.621 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -10.798 6.268 7.218 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -9.617 7.087 8.222 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.580 7.492 5.098 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -10.890 9.626 3.814 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -7.292 8.603 7.642 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -8.731 11.543 3.902 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -5.940 10.584 7.022 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -6.651 12.053 5.157 1.00 0.00 H new ATOM 1051 N ASP A 72 -8.885 3.427 7.691 1.00 0.00 N ATOM 1052 CA ASP A 72 -8.727 2.376 8.699 1.00 0.00 C ATOM 1053 C ASP A 72 -7.345 1.740 8.591 1.00 0.00 C ATOM 1054 O ASP A 72 -6.742 1.364 9.596 1.00 0.00 O ATOM 1055 CB ASP A 72 -9.801 1.304 8.520 1.00 0.00 C ATOM 1056 CG ASP A 72 -9.790 0.370 9.722 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -8.900 0.508 10.546 1.00 0.00 O ATOM 1058 OD2 ASP A 72 -10.674 -0.467 9.806 1.00 0.00 O ATOM 0 H ASP A 72 -9.266 3.105 6.801 1.00 0.00 H new ATOM 0 HA ASP A 72 -8.834 2.828 9.685 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.781 1.770 8.417 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.618 0.740 7.606 1.00 0.00 H new ATOM 1063 N HIS A 73 -6.849 1.634 7.356 1.00 0.00 N ATOM 1064 CA HIS A 73 -5.527 1.055 7.101 1.00 0.00 C ATOM 1065 C HIS A 73 -4.613 2.074 6.407 1.00 0.00 C ATOM 1066 O HIS A 73 -4.061 1.800 5.342 1.00 0.00 O ATOM 1067 CB HIS A 73 -5.676 -0.184 6.216 1.00 0.00 C ATOM 1068 CG HIS A 73 -6.837 -1.003 6.692 1.00 0.00 C ATOM 1069 ND1 HIS A 73 -7.179 -1.102 8.030 1.00 0.00 N ATOM 1070 CD2 HIS A 73 -7.754 -1.759 6.011 1.00 0.00 C ATOM 1071 CE1 HIS A 73 -8.264 -1.892 8.110 1.00 0.00 C ATOM 1072 NE2 HIS A 73 -8.655 -2.321 6.907 1.00 0.00 N ATOM 0 H HIS A 73 -7.342 1.941 6.517 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.077 0.778 8.054 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.829 0.114 5.179 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.762 -0.777 6.246 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -6.697 -0.657 8.811 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.774 -1.897 4.940 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.759 -2.149 9.035 1.00 0.00 H new ATOM 1081 N PRO A 74 -4.443 3.232 6.998 1.00 0.00 N ATOM 1082 CA PRO A 74 -3.574 4.316 6.442 1.00 0.00 C ATOM 1083 C PRO A 74 -2.092 3.984 6.563 1.00 0.00 C ATOM 1084 O PRO A 74 -1.240 4.763 6.141 1.00 0.00 O ATOM 1085 CB PRO A 74 -3.930 5.534 7.307 1.00 0.00 C ATOM 1086 CG PRO A 74 -4.383 4.964 8.609 1.00 0.00 C ATOM 1087 CD PRO A 74 -5.069 3.642 8.262 1.00 0.00 C ATOM 0 HA PRO A 74 -3.742 4.473 5.377 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -3.069 6.188 7.441 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.715 6.131 6.843 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.540 4.804 9.281 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.070 5.641 9.116 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.915 2.897 9.043 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.146 3.769 8.150 1.00 0.00 H new ATOM 1095 N THR A 75 -1.797 2.827 7.137 1.00 0.00 N ATOM 1096 CA THR A 75 -0.409 2.390 7.316 1.00 0.00 C ATOM 1097 C THR A 75 -0.111 1.169 6.457 1.00 0.00 C ATOM 1098 O THR A 75 -1.014 0.435 6.054 1.00 0.00 O ATOM 1099 CB THR A 75 -0.150 2.068 8.788 1.00 0.00 C ATOM 1100 OG1 THR A 75 -1.179 1.214 9.270 1.00 0.00 O ATOM 1101 CG2 THR A 75 -0.136 3.367 9.599 1.00 0.00 C ATOM 0 H THR A 75 -2.494 2.171 7.488 1.00 0.00 H new ATOM 0 HA THR A 75 0.250 3.200 7.003 1.00 0.00 H new ATOM 0 HB THR A 75 0.814 1.569 8.891 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.015 1.004 10.213 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.049 3.139 10.649 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.652 4.020 9.226 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.099 3.868 9.501 1.00 0.00 H new ATOM 1109 N ILE A 76 1.172 0.956 6.194 1.00 0.00 N ATOM 1110 CA ILE A 76 1.603 -0.182 5.393 1.00 0.00 C ATOM 1111 C ILE A 76 1.336 -1.483 6.135 1.00 0.00 C ATOM 1112 O ILE A 76 0.906 -2.467 5.542 1.00 0.00 O ATOM 1113 CB ILE A 76 3.098 -0.077 5.056 1.00 0.00 C ATOM 1114 CG1 ILE A 76 3.317 1.142 4.140 1.00 0.00 C ATOM 1115 CG2 ILE A 76 3.575 -1.351 4.327 1.00 0.00 C ATOM 1116 CD1 ILE A 76 4.754 1.161 3.593 1.00 0.00 C ATOM 0 H ILE A 76 1.930 1.554 6.523 1.00 0.00 H new ATOM 0 HA ILE A 76 1.033 -0.176 4.464 1.00 0.00 H new ATOM 0 HB ILE A 76 3.667 0.035 5.979 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.608 1.113 3.312 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.122 2.060 4.695 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.636 -1.262 4.095 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.416 -2.218 4.968 1.00 0.00 H new ATOM 0 HG23 ILE A 76 3.011 -1.474 3.403 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.887 2.030 2.949 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.459 1.214 4.423 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.937 0.253 3.019 1.00 0.00 H new ATOM 1128 N ASP A 77 1.616 -1.489 7.429 1.00 0.00 N ATOM 1129 CA ASP A 77 1.424 -2.689 8.229 1.00 0.00 C ATOM 1130 C ASP A 77 0.012 -3.226 8.062 1.00 0.00 C ATOM 1131 O ASP A 77 -0.188 -4.419 7.815 1.00 0.00 O ATOM 1132 CB ASP A 77 1.680 -2.371 9.704 1.00 0.00 C ATOM 1133 CG ASP A 77 1.704 -3.657 10.522 1.00 0.00 C ATOM 1134 OD1 ASP A 77 1.762 -4.718 9.923 1.00 0.00 O ATOM 1135 OD2 ASP A 77 1.662 -3.561 11.738 1.00 0.00 O ATOM 0 H ASP A 77 1.974 -0.685 7.944 1.00 0.00 H new ATOM 0 HA ASP A 77 2.128 -3.448 7.889 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.629 -1.845 9.811 1.00 0.00 H new ATOM 0 HB3 ASP A 77 0.903 -1.706 10.081 1.00 0.00 H new ATOM 1140 N ALA A 78 -0.971 -2.343 8.185 1.00 0.00 N ATOM 1141 CA ALA A 78 -2.358 -2.745 8.038 1.00 0.00 C ATOM 1142 C ALA A 78 -2.665 -3.088 6.589 1.00 0.00 C ATOM 1143 O ALA A 78 -3.295 -4.108 6.303 1.00 0.00 O ATOM 1144 CB ALA A 78 -3.278 -1.610 8.499 1.00 0.00 C ATOM 0 H ALA A 78 -0.832 -1.352 8.385 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.529 -3.629 8.653 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.318 -1.916 8.387 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.078 -1.382 9.546 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.094 -0.723 7.893 1.00 0.00 H new ATOM 1150 N LEU A 79 -2.254 -2.216 5.680 1.00 0.00 N ATOM 1151 CA LEU A 79 -2.536 -2.438 4.274 1.00 0.00 C ATOM 1152 C LEU A 79 -1.882 -3.732 3.798 1.00 0.00 C ATOM 1153 O LEU A 79 -2.503 -4.534 3.102 1.00 0.00 O ATOM 1154 CB LEU A 79 -2.013 -1.254 3.439 1.00 0.00 C ATOM 1155 CG LEU A 79 -2.938 -0.984 2.233 1.00 0.00 C ATOM 1156 CD1 LEU A 79 -3.210 -2.283 1.445 1.00 0.00 C ATOM 1157 CD2 LEU A 79 -4.277 -0.378 2.726 1.00 0.00 C ATOM 0 H LEU A 79 -1.734 -1.364 5.887 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.615 -2.521 4.145 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.951 -0.362 4.063 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.003 -1.468 3.088 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.440 -0.278 1.568 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.864 -2.066 0.600 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.268 -2.691 1.079 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.691 -3.011 2.098 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.927 -0.189 1.872 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.765 -1.077 3.405 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.082 0.559 3.248 1.00 0.00 H new ATOM 1169 N SER A 80 -0.622 -3.920 4.173 1.00 0.00 N ATOM 1170 CA SER A 80 0.109 -5.107 3.772 1.00 0.00 C ATOM 1171 C SER A 80 -0.591 -6.355 4.285 1.00 0.00 C ATOM 1172 O SER A 80 -0.814 -7.298 3.531 1.00 0.00 O ATOM 1173 CB SER A 80 1.530 -5.048 4.328 1.00 0.00 C ATOM 1174 OG SER A 80 1.471 -4.950 5.745 1.00 0.00 O ATOM 0 H SER A 80 -0.092 -3.268 4.751 1.00 0.00 H new ATOM 0 HA SER A 80 0.147 -5.147 2.683 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.086 -5.939 4.035 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.061 -4.191 3.913 1.00 0.00 H new ATOM 0 HG SER A 80 1.429 -4.006 6.006 1.00 0.00 H new ATOM 1180 N THR A 81 -0.941 -6.345 5.567 1.00 0.00 N ATOM 1181 CA THR A 81 -1.618 -7.488 6.170 1.00 0.00 C ATOM 1182 C THR A 81 -2.902 -7.800 5.400 1.00 0.00 C ATOM 1183 O THR A 81 -3.225 -8.958 5.126 1.00 0.00 O ATOM 1184 CB THR A 81 -1.952 -7.184 7.630 1.00 0.00 C ATOM 1185 OG1 THR A 81 -0.749 -6.979 8.358 1.00 0.00 O ATOM 1186 CG2 THR A 81 -2.721 -8.361 8.233 1.00 0.00 C ATOM 0 H THR A 81 -0.769 -5.567 6.203 1.00 0.00 H new ATOM 0 HA THR A 81 -0.957 -8.354 6.127 1.00 0.00 H new ATOM 0 HB THR A 81 -2.566 -6.285 7.683 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.425 -6.067 8.205 1.00 0.00 H new ATOM 0 HG21 THR A 81 -2.959 -8.145 9.274 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.644 -8.517 7.674 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.108 -9.261 8.181 1.00 0.00 H new ATOM 1194 N ALA A 82 -3.631 -6.756 5.046 1.00 0.00 N ATOM 1195 CA ALA A 82 -4.862 -6.934 4.298 1.00 0.00 C ATOM 1196 C ALA A 82 -4.560 -7.411 2.875 1.00 0.00 C ATOM 1197 O ALA A 82 -5.270 -8.267 2.325 1.00 0.00 O ATOM 1198 CB ALA A 82 -5.634 -5.615 4.240 1.00 0.00 C ATOM 0 H ALA A 82 -3.395 -5.787 5.261 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.467 -7.687 4.803 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.556 -5.758 3.677 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.874 -5.289 5.252 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.023 -4.857 3.750 1.00 0.00 H new ATOM 1204 N LEU A 83 -3.506 -6.858 2.272 1.00 0.00 N ATOM 1205 CA LEU A 83 -3.156 -7.229 0.913 1.00 0.00 C ATOM 1206 C LEU A 83 -2.792 -8.709 0.833 1.00 0.00 C ATOM 1207 O LEU A 83 -3.329 -9.443 0.005 1.00 0.00 O ATOM 1208 CB LEU A 83 -1.967 -6.363 0.438 1.00 0.00 C ATOM 1209 CG LEU A 83 -2.090 -6.070 -1.061 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -0.845 -5.307 -1.532 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -2.232 -7.389 -1.832 1.00 0.00 C ATOM 0 H LEU A 83 -2.893 -6.164 2.700 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.016 -7.056 0.266 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.942 -5.428 0.998 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.028 -6.880 0.639 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.973 -5.459 -1.247 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.929 -5.097 -2.598 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.763 -4.369 -0.982 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.043 -5.912 -1.350 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.319 -7.180 -2.898 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.354 -8.010 -1.655 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.124 -7.915 -1.491 1.00 0.00 H new ATOM 1223 N VAL A 84 -1.879 -9.144 1.695 1.00 0.00 N ATOM 1224 CA VAL A 84 -1.467 -10.535 1.693 1.00 0.00 C ATOM 1225 C VAL A 84 -2.665 -11.420 2.002 1.00 0.00 C ATOM 1226 O VAL A 84 -2.753 -12.549 1.521 1.00 0.00 O ATOM 1227 CB VAL A 84 -0.364 -10.754 2.736 1.00 0.00 C ATOM 1228 CG1 VAL A 84 -0.913 -10.459 4.128 1.00 0.00 C ATOM 1229 CG2 VAL A 84 0.145 -12.198 2.678 1.00 0.00 C ATOM 0 H VAL A 84 -1.418 -8.560 2.393 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.075 -10.795 0.710 1.00 0.00 H new ATOM 0 HB VAL A 84 0.465 -10.081 2.520 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.129 -10.615 4.869 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.254 -9.425 4.173 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.749 -11.126 4.338 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.927 -12.338 3.424 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.678 -12.882 2.883 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.548 -12.402 1.686 1.00 0.00 H new ATOM 1239 N ALA A 85 -3.587 -10.898 2.808 1.00 0.00 N ATOM 1240 CA ALA A 85 -4.777 -11.657 3.166 1.00 0.00 C ATOM 1241 C ALA A 85 -5.550 -12.035 1.912 1.00 0.00 C ATOM 1242 O ALA A 85 -6.108 -13.129 1.820 1.00 0.00 O ATOM 1243 CB ALA A 85 -5.668 -10.838 4.098 1.00 0.00 C ATOM 0 H ALA A 85 -3.533 -9.966 3.219 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.469 -12.566 3.683 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.554 -11.418 4.357 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.117 -10.592 5.006 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.970 -9.918 3.597 1.00 0.00 H new