USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=17 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 27:sc= 0.198 USER MOD Single : A 14 SER OG : rot -85:sc= 1.16 USER MOD Single : A 22 CYS SG : rot 153:sc= -1.32 USER MOD Single : A 26 HIS : no HE2:sc= -0.497 K(o=-0.5,f=-2.1!) USER MOD Single : A 33 THR OG1 : rot 51:sc= -2.27! USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.156 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.526 USER MOD Single : A 42 SER OG : rot 116:sc= 0.904 USER MOD Single : A 43 TYR OH : rot 180:sc= -2.63! 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= -0.346 X(o=-0.35,f=-0.37) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -26:sc= 0.148 USER MOD Single : A 73 HIS : no HD1:sc= -7.46! C(o=-7.5!,f=-13!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot 69:sc= -0.0141 USER MOD Single : A 81 THR OG1 : rot 84:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 136 N THR A 11 4.819 -13.033 -1.505 1.00 0.00 N ATOM 137 CA THR A 11 5.101 -13.126 -0.072 1.00 0.00 C ATOM 138 C THR A 11 4.942 -11.758 0.572 1.00 0.00 C ATOM 139 O THR A 11 5.137 -10.740 -0.085 1.00 0.00 O ATOM 140 CB THR A 11 6.523 -13.622 0.145 1.00 0.00 C ATOM 141 OG1 THR A 11 6.715 -14.826 -0.580 1.00 0.00 O ATOM 142 CG2 THR A 11 6.752 -13.876 1.633 1.00 0.00 C ATOM 0 HA THR A 11 4.400 -13.827 0.382 1.00 0.00 H new ATOM 0 HB THR A 11 7.231 -12.871 -0.205 1.00 0.00 H new ATOM 0 HG1 THR A 11 6.108 -14.845 -1.349 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.771 -14.231 1.789 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.602 -12.950 2.188 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.047 -14.629 1.986 1.00 0.00 H new ATOM 150 N LEU A 12 4.595 -11.747 1.857 1.00 0.00 N ATOM 151 CA LEU A 12 4.398 -10.498 2.598 1.00 0.00 C ATOM 152 C LEU A 12 5.463 -9.473 2.228 1.00 0.00 C ATOM 153 O LEU A 12 5.212 -8.265 2.229 1.00 0.00 O ATOM 154 CB LEU A 12 4.460 -10.771 4.104 1.00 0.00 C ATOM 155 CG LEU A 12 3.181 -11.485 4.555 1.00 0.00 C ATOM 156 CD1 LEU A 12 3.112 -12.892 3.933 1.00 0.00 C ATOM 157 CD2 LEU A 12 3.176 -11.600 6.084 1.00 0.00 C ATOM 0 H LEU A 12 4.443 -12.590 2.410 1.00 0.00 H new ATOM 0 HA LEU A 12 3.419 -10.097 2.335 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.331 -11.384 4.336 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.576 -9.834 4.648 1.00 0.00 H new ATOM 0 HG LEU A 12 2.316 -10.910 4.226 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.199 -13.390 4.260 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.111 -12.810 2.846 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.977 -13.474 4.252 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.267 -12.107 6.408 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.046 -12.171 6.409 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.211 -10.603 6.524 1.00 0.00 H new ATOM 169 N ASP A 13 6.649 -9.969 1.913 1.00 0.00 N ATOM 170 CA ASP A 13 7.751 -9.094 1.546 1.00 0.00 C ATOM 171 C ASP A 13 7.525 -8.481 0.175 1.00 0.00 C ATOM 172 O ASP A 13 7.905 -7.339 -0.052 1.00 0.00 O ATOM 173 CB ASP A 13 9.070 -9.853 1.532 1.00 0.00 C ATOM 174 CG ASP A 13 9.140 -10.789 2.737 1.00 0.00 C ATOM 175 OD1 ASP A 13 9.014 -10.301 3.847 1.00 0.00 O ATOM 176 OD2 ASP A 13 9.308 -11.980 2.529 1.00 0.00 O ATOM 0 H ASP A 13 6.872 -10.964 1.904 1.00 0.00 H new ATOM 0 HA ASP A 13 7.796 -8.303 2.295 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.161 -10.426 0.609 1.00 0.00 H new ATOM 0 HB3 ASP A 13 9.904 -9.152 1.555 1.00 0.00 H new ATOM 181 N SER A 14 6.909 -9.236 -0.735 1.00 0.00 N ATOM 182 CA SER A 14 6.655 -8.729 -2.075 1.00 0.00 C ATOM 183 C SER A 14 5.666 -7.576 -2.030 1.00 0.00 C ATOM 184 O SER A 14 5.782 -6.592 -2.780 1.00 0.00 O ATOM 185 CB SER A 14 6.114 -9.848 -2.954 1.00 0.00 C ATOM 186 OG SER A 14 4.911 -10.364 -2.392 1.00 0.00 O ATOM 0 H SER A 14 6.582 -10.188 -0.568 1.00 0.00 H new ATOM 0 HA SER A 14 7.592 -8.363 -2.495 1.00 0.00 H new ATOM 0 HB2 SER A 14 5.925 -9.474 -3.960 1.00 0.00 H new ATOM 0 HB3 SER A 14 6.855 -10.643 -3.044 1.00 0.00 H new ATOM 0 HG SER A 14 5.129 -11.046 -1.723 1.00 0.00 H new ATOM 192 N LEU A 15 4.663 -7.697 -1.187 1.00 0.00 N ATOM 193 CA LEU A 15 3.672 -6.654 -1.109 1.00 0.00 C ATOM 194 C LEU A 15 4.229 -5.475 -0.341 1.00 0.00 C ATOM 195 O LEU A 15 4.393 -4.384 -0.884 1.00 0.00 O ATOM 196 CB LEU A 15 2.403 -7.160 -0.433 1.00 0.00 C ATOM 197 CG LEU A 15 1.923 -8.490 -1.075 1.00 0.00 C ATOM 198 CD1 LEU A 15 2.176 -8.526 -2.605 1.00 0.00 C ATOM 199 CD2 LEU A 15 2.612 -9.688 -0.372 1.00 0.00 C ATOM 0 H LEU A 15 4.516 -8.489 -0.561 1.00 0.00 H new ATOM 0 HA LEU A 15 3.420 -6.341 -2.122 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.589 -7.312 0.630 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.618 -6.408 -0.515 1.00 0.00 H new ATOM 0 HG LEU A 15 0.844 -8.561 -0.934 1.00 0.00 H new ATOM 0 HD11 LEU A 15 1.824 -9.475 -3.010 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.639 -7.706 -3.082 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.243 -8.422 -2.800 1.00 0.00 H new ATOM 0 HD21 LEU A 15 2.273 -10.620 -0.825 1.00 0.00 H new ATOM 0 HD22 LEU A 15 3.693 -9.603 -0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.355 -9.685 0.687 1.00 0.00 H new ATOM 211 N ARG A 16 4.507 -5.700 0.929 1.00 0.00 N ATOM 212 CA ARG A 16 5.030 -4.640 1.773 1.00 0.00 C ATOM 213 C ARG A 16 5.983 -3.746 0.973 1.00 0.00 C ATOM 214 O ARG A 16 5.835 -2.521 0.958 1.00 0.00 O ATOM 215 CB ARG A 16 5.781 -5.257 2.940 1.00 0.00 C ATOM 216 CG ARG A 16 6.464 -4.155 3.787 1.00 0.00 C ATOM 217 CD ARG A 16 7.955 -4.047 3.435 1.00 0.00 C ATOM 218 NE ARG A 16 8.607 -3.102 4.331 1.00 0.00 N ATOM 219 CZ ARG A 16 8.971 -3.460 5.555 1.00 0.00 C ATOM 220 NH1 ARG A 16 8.740 -4.674 5.976 1.00 0.00 N ATOM 221 NH2 ARG A 16 9.556 -2.596 6.334 1.00 0.00 N ATOM 0 H ARG A 16 4.381 -6.598 1.397 1.00 0.00 H new ATOM 0 HA ARG A 16 4.201 -4.035 2.140 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.092 -5.828 3.562 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.530 -5.956 2.569 1.00 0.00 H new ATOM 0 HG2 ARG A 16 5.973 -3.198 3.611 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.351 -4.381 4.847 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.429 -5.025 3.516 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.071 -3.721 2.401 1.00 0.00 H new ATOM 0 HE ARG A 16 8.787 -2.150 4.012 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.280 -5.347 5.364 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.020 -4.949 6.917 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.733 -1.648 6.002 1.00 0.00 H new ATOM 0 HH22 ARG A 16 9.837 -2.867 7.276 1.00 0.00 H new ATOM 235 N VAL A 17 6.950 -4.368 0.293 1.00 0.00 N ATOM 236 CA VAL A 17 7.907 -3.615 -0.522 1.00 0.00 C ATOM 237 C VAL A 17 7.160 -2.848 -1.614 1.00 0.00 C ATOM 238 O VAL A 17 7.485 -1.700 -1.905 1.00 0.00 O ATOM 239 CB VAL A 17 8.916 -4.583 -1.163 1.00 0.00 C ATOM 240 CG1 VAL A 17 9.679 -5.356 -0.064 1.00 0.00 C ATOM 241 CG2 VAL A 17 8.139 -5.562 -2.032 1.00 0.00 C ATOM 0 H VAL A 17 7.090 -5.378 0.290 1.00 0.00 H new ATOM 0 HA VAL A 17 8.442 -2.908 0.111 1.00 0.00 H new ATOM 0 HB VAL A 17 9.639 -4.030 -1.762 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.391 -6.039 -0.527 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.214 -4.651 0.572 1.00 0.00 H new ATOM 0 HG13 VAL A 17 8.971 -5.924 0.539 1.00 0.00 H new ATOM 0 HG21 VAL A 17 8.831 -6.262 -2.500 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.429 -6.112 -1.415 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.600 -5.014 -2.805 1.00 0.00 H new ATOM 251 N TRP A 18 6.154 -3.476 -2.219 1.00 0.00 N ATOM 252 CA TRP A 18 5.388 -2.796 -3.260 1.00 0.00 C ATOM 253 C TRP A 18 4.737 -1.517 -2.709 1.00 0.00 C ATOM 254 O TRP A 18 4.854 -0.443 -3.294 1.00 0.00 O ATOM 255 CB TRP A 18 4.300 -3.755 -3.817 1.00 0.00 C ATOM 256 CG TRP A 18 2.915 -3.258 -3.465 1.00 0.00 C ATOM 257 CD1 TRP A 18 2.123 -3.740 -2.464 1.00 0.00 C ATOM 258 CD2 TRP A 18 2.165 -2.165 -4.062 1.00 0.00 C ATOM 259 NE1 TRP A 18 0.956 -3.029 -2.437 1.00 0.00 N ATOM 260 CE2 TRP A 18 0.934 -2.053 -3.382 1.00 0.00 C ATOM 261 CE3 TRP A 18 2.418 -1.266 -5.112 1.00 0.00 C ATOM 262 CZ2 TRP A 18 -0.001 -1.108 -3.716 1.00 0.00 C ATOM 263 CZ3 TRP A 18 1.463 -0.302 -5.449 1.00 0.00 C ATOM 264 CH2 TRP A 18 0.257 -0.227 -4.743 1.00 0.00 C ATOM 0 H TRP A 18 5.856 -4.430 -2.014 1.00 0.00 H new ATOM 0 HA TRP A 18 6.065 -2.512 -4.066 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.399 -3.834 -4.900 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.447 -4.755 -3.409 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.377 -4.553 -1.800 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.193 -3.210 -1.785 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.348 -1.320 -5.658 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.935 -1.054 -3.177 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.657 0.387 -6.257 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -0.474 0.524 -5.004 1.00 0.00 H new ATOM 275 N LEU A 19 4.038 -1.659 -1.592 1.00 0.00 N ATOM 276 CA LEU A 19 3.343 -0.532 -0.981 1.00 0.00 C ATOM 277 C LEU A 19 4.301 0.618 -0.714 1.00 0.00 C ATOM 278 O LEU A 19 4.172 1.692 -1.300 1.00 0.00 O ATOM 279 CB LEU A 19 2.700 -0.992 0.338 1.00 0.00 C ATOM 280 CG LEU A 19 1.166 -1.161 0.190 1.00 0.00 C ATOM 281 CD1 LEU A 19 0.686 -2.331 1.039 1.00 0.00 C ATOM 282 CD2 LEU A 19 0.454 0.126 0.626 1.00 0.00 C ATOM 0 H LEU A 19 3.936 -2.541 -1.090 1.00 0.00 H new ATOM 0 HA LEU A 19 2.573 -0.179 -1.668 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.143 -1.937 0.650 1.00 0.00 H new ATOM 0 HB3 LEU A 19 2.914 -0.265 1.122 1.00 0.00 H new ATOM 0 HG LEU A 19 0.931 -1.362 -0.855 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.393 -2.442 0.929 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.180 -3.245 0.711 1.00 0.00 H new ATOM 0 HD13 LEU A 19 0.926 -2.144 2.086 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.623 -0.000 0.519 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.693 0.339 1.668 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.786 0.955 0.001 1.00 0.00 H new ATOM 294 N VAL A 20 5.258 0.398 0.169 1.00 0.00 N ATOM 295 CA VAL A 20 6.196 1.452 0.494 1.00 0.00 C ATOM 296 C VAL A 20 6.864 1.968 -0.770 1.00 0.00 C ATOM 297 O VAL A 20 6.945 3.176 -0.989 1.00 0.00 O ATOM 298 CB VAL A 20 7.247 0.909 1.459 1.00 0.00 C ATOM 299 CG1 VAL A 20 8.055 -0.201 0.779 1.00 0.00 C ATOM 300 CG2 VAL A 20 8.176 2.039 1.885 1.00 0.00 C ATOM 0 H VAL A 20 5.404 -0.482 0.664 1.00 0.00 H new ATOM 0 HA VAL A 20 5.663 2.278 0.965 1.00 0.00 H new ATOM 0 HB VAL A 20 6.752 0.497 2.338 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.803 -0.584 1.473 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.386 -1.009 0.484 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.552 0.200 -0.105 1.00 0.00 H new ATOM 0 HG21 VAL A 20 8.927 1.652 2.574 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.669 2.455 1.007 1.00 0.00 H new ATOM 0 HG23 VAL A 20 7.597 2.819 2.379 1.00 0.00 H new ATOM 310 N ASP A 21 7.352 1.054 -1.596 1.00 0.00 N ATOM 311 CA ASP A 21 8.022 1.451 -2.823 1.00 0.00 C ATOM 312 C ASP A 21 7.099 2.310 -3.682 1.00 0.00 C ATOM 313 O ASP A 21 7.544 3.240 -4.364 1.00 0.00 O ATOM 314 CB ASP A 21 8.448 0.202 -3.603 1.00 0.00 C ATOM 315 CG ASP A 21 9.146 0.601 -4.898 1.00 0.00 C ATOM 316 OD1 ASP A 21 9.441 1.775 -5.055 1.00 0.00 O ATOM 317 OD2 ASP A 21 9.374 -0.275 -5.717 1.00 0.00 O ATOM 0 H ASP A 21 7.298 0.047 -1.442 1.00 0.00 H new ATOM 0 HA ASP A 21 8.904 2.039 -2.568 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.117 -0.405 -2.993 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.575 -0.411 -3.826 1.00 0.00 H new ATOM 322 N CYS A 22 5.808 2.000 -3.632 1.00 0.00 N ATOM 323 CA CYS A 22 4.830 2.755 -4.395 1.00 0.00 C ATOM 324 C CYS A 22 4.785 4.197 -3.919 1.00 0.00 C ATOM 325 O CYS A 22 4.801 5.125 -4.725 1.00 0.00 O ATOM 326 CB CYS A 22 3.438 2.137 -4.250 1.00 0.00 C ATOM 327 SG CYS A 22 2.334 2.869 -5.481 1.00 0.00 S ATOM 0 H CYS A 22 5.420 1.238 -3.076 1.00 0.00 H new ATOM 0 HA CYS A 22 5.129 2.727 -5.443 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.490 1.057 -4.387 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.051 2.313 -3.246 1.00 0.00 H new ATOM 0 HG CYS A 22 1.383 2.029 -5.765 1.00 0.00 H new ATOM 333 N VAL A 23 4.722 4.383 -2.607 1.00 0.00 N ATOM 334 CA VAL A 23 4.672 5.731 -2.060 1.00 0.00 C ATOM 335 C VAL A 23 5.954 6.490 -2.418 1.00 0.00 C ATOM 336 O VAL A 23 5.900 7.628 -2.880 1.00 0.00 O ATOM 337 CB VAL A 23 4.536 5.675 -0.544 1.00 0.00 C ATOM 338 CG1 VAL A 23 4.285 7.086 0.029 1.00 0.00 C ATOM 339 CG2 VAL A 23 3.382 4.751 -0.156 1.00 0.00 C ATOM 0 H VAL A 23 4.705 3.634 -1.915 1.00 0.00 H new ATOM 0 HA VAL A 23 3.811 6.246 -2.485 1.00 0.00 H new ATOM 0 HB VAL A 23 5.466 5.286 -0.128 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.190 7.027 1.113 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.121 7.737 -0.227 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.366 7.492 -0.394 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.292 4.717 0.930 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.454 5.128 -0.585 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.576 3.748 -0.535 1.00 0.00 H new ATOM 349 N ALA A 24 7.110 5.859 -2.192 1.00 0.00 N ATOM 350 CA ALA A 24 8.384 6.502 -2.495 1.00 0.00 C ATOM 351 C ALA A 24 8.351 7.081 -3.896 1.00 0.00 C ATOM 352 O ALA A 24 8.658 8.252 -4.096 1.00 0.00 O ATOM 353 CB ALA A 24 9.516 5.479 -2.391 1.00 0.00 C ATOM 0 H ALA A 24 7.187 4.918 -1.806 1.00 0.00 H new ATOM 0 HA ALA A 24 8.555 7.306 -1.779 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.466 5.963 -2.618 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.548 5.073 -1.380 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.342 4.670 -3.101 1.00 0.00 H new ATOM 359 N GLY A 25 7.984 6.255 -4.865 1.00 0.00 N ATOM 360 CA GLY A 25 7.919 6.718 -6.245 1.00 0.00 C ATOM 361 C GLY A 25 6.875 7.822 -6.398 1.00 0.00 C ATOM 362 O GLY A 25 7.113 8.825 -7.073 1.00 0.00 O ATOM 0 H GLY A 25 7.730 5.277 -4.726 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.896 7.089 -6.555 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.672 5.884 -6.902 1.00 0.00 H new ATOM 366 N HIS A 26 5.720 7.635 -5.771 1.00 0.00 N ATOM 367 CA HIS A 26 4.654 8.626 -5.862 1.00 0.00 C ATOM 368 C HIS A 26 5.156 10.003 -5.441 1.00 0.00 C ATOM 369 O HIS A 26 5.030 10.968 -6.187 1.00 0.00 O ATOM 370 CB HIS A 26 3.493 8.209 -4.950 1.00 0.00 C ATOM 371 CG HIS A 26 2.542 9.356 -4.750 1.00 0.00 C ATOM 372 ND1 HIS A 26 2.224 10.240 -5.765 1.00 0.00 N ATOM 373 CD2 HIS A 26 1.861 9.788 -3.643 1.00 0.00 C ATOM 374 CE1 HIS A 26 1.384 11.158 -5.253 1.00 0.00 C ATOM 375 NE2 HIS A 26 1.128 10.929 -3.960 1.00 0.00 N ATOM 0 H HIS A 26 5.499 6.818 -5.201 1.00 0.00 H new ATOM 0 HA HIS A 26 4.317 8.680 -6.897 1.00 0.00 H new ATOM 0 HB2 HIS A 26 2.964 7.363 -5.389 1.00 0.00 H new ATOM 0 HB3 HIS A 26 3.881 7.878 -3.986 1.00 0.00 H new ATOM 0 HD1 HIS A 26 2.564 10.203 -6.726 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.888 9.316 -2.672 1.00 0.00 H new ATOM 0 HE1 HIS A 26 0.967 11.979 -5.817 1.00 0.00 H new ATOM 384 N LEU A 27 5.712 10.098 -4.239 1.00 0.00 N ATOM 385 CA LEU A 27 6.201 11.381 -3.752 1.00 0.00 C ATOM 386 C LEU A 27 7.608 11.657 -4.280 1.00 0.00 C ATOM 387 O LEU A 27 7.977 12.805 -4.534 1.00 0.00 O ATOM 388 CB LEU A 27 6.197 11.343 -2.223 1.00 0.00 C ATOM 389 CG LEU A 27 4.787 11.657 -1.679 1.00 0.00 C ATOM 390 CD1 LEU A 27 4.640 11.107 -0.257 1.00 0.00 C ATOM 391 CD2 LEU A 27 4.552 13.174 -1.638 1.00 0.00 C ATOM 0 H LEU A 27 5.834 9.317 -3.594 1.00 0.00 H new ATOM 0 HA LEU A 27 5.555 12.184 -4.106 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.516 10.360 -1.877 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.913 12.066 -1.833 1.00 0.00 H new ATOM 0 HG LEU A 27 4.057 11.190 -2.341 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.642 11.333 0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 27 4.788 10.027 -0.267 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.385 11.569 0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.553 13.377 -1.252 1.00 0.00 H new ATOM 0 HD22 LEU A 27 5.294 13.640 -0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.642 13.584 -2.644 1.00 0.00 H new ATOM 403 N GLY A 28 8.391 10.594 -4.424 1.00 0.00 N ATOM 404 CA GLY A 28 9.768 10.689 -4.906 1.00 0.00 C ATOM 405 C GLY A 28 10.774 10.595 -3.755 1.00 0.00 C ATOM 406 O GLY A 28 11.983 10.567 -3.983 1.00 0.00 O ATOM 0 H GLY A 28 8.092 9.642 -4.211 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.959 9.891 -5.624 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.905 11.632 -5.434 1.00 0.00 H new ATOM 410 N LEU A 29 10.281 10.547 -2.517 1.00 0.00 N ATOM 411 CA LEU A 29 11.160 10.453 -1.354 1.00 0.00 C ATOM 412 C LEU A 29 11.790 9.067 -1.289 1.00 0.00 C ATOM 413 O LEU A 29 11.578 8.236 -2.173 1.00 0.00 O ATOM 414 CB LEU A 29 10.376 10.723 -0.068 1.00 0.00 C ATOM 415 CG LEU A 29 9.669 12.076 -0.172 1.00 0.00 C ATOM 416 CD1 LEU A 29 8.824 12.307 1.086 1.00 0.00 C ATOM 417 CD2 LEU A 29 10.703 13.207 -0.324 1.00 0.00 C ATOM 0 H LEU A 29 9.286 10.571 -2.296 1.00 0.00 H new ATOM 0 HA LEU A 29 11.945 11.203 -1.451 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.645 9.931 0.097 1.00 0.00 H new ATOM 0 HB3 LEU A 29 11.050 10.719 0.789 1.00 0.00 H new ATOM 0 HG LEU A 29 9.022 12.075 -1.049 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.320 13.271 1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.081 11.514 1.176 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.470 12.301 1.964 1.00 0.00 H new ATOM 0 HD21 LEU A 29 10.187 14.164 -0.397 1.00 0.00 H new ATOM 0 HD22 LEU A 29 11.363 13.216 0.543 1.00 0.00 H new ATOM 0 HD23 LEU A 29 11.292 13.043 -1.226 1.00 0.00 H new ATOM 429 N ASP A 30 12.559 8.824 -0.235 1.00 0.00 N ATOM 430 CA ASP A 30 13.218 7.532 -0.049 1.00 0.00 C ATOM 431 C ASP A 30 12.280 6.545 0.649 1.00 0.00 C ATOM 432 O ASP A 30 11.628 6.878 1.639 1.00 0.00 O ATOM 433 CB ASP A 30 14.504 7.715 0.774 1.00 0.00 C ATOM 434 CG ASP A 30 14.331 8.863 1.759 1.00 0.00 C ATOM 435 OD1 ASP A 30 13.195 9.186 2.068 1.00 0.00 O ATOM 436 OD2 ASP A 30 15.335 9.402 2.194 1.00 0.00 O ATOM 0 H ASP A 30 12.743 9.502 0.505 1.00 0.00 H new ATOM 0 HA ASP A 30 13.476 7.127 -1.028 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.736 6.795 1.311 1.00 0.00 H new ATOM 0 HB3 ASP A 30 15.345 7.917 0.111 1.00 0.00 H new ATOM 441 N ALA A 31 12.236 5.324 0.124 1.00 0.00 N ATOM 442 CA ALA A 31 11.388 4.276 0.689 1.00 0.00 C ATOM 443 C ALA A 31 11.809 3.938 2.111 1.00 0.00 C ATOM 444 O ALA A 31 10.965 3.621 2.951 1.00 0.00 O ATOM 445 CB ALA A 31 11.456 3.020 -0.170 1.00 0.00 C ATOM 0 H ALA A 31 12.777 5.035 -0.691 1.00 0.00 H new ATOM 0 HA ALA A 31 10.364 4.650 0.707 1.00 0.00 H new ATOM 0 HB1 ALA A 31 10.820 2.248 0.263 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.112 3.250 -1.179 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.485 2.662 -0.210 1.00 0.00 H new ATOM 451 N ALA A 32 13.107 4.026 2.389 1.00 0.00 N ATOM 452 CA ALA A 32 13.620 3.720 3.717 1.00 0.00 C ATOM 453 C ALA A 32 13.129 4.722 4.753 1.00 0.00 C ATOM 454 O ALA A 32 13.288 4.508 5.952 1.00 0.00 O ATOM 455 CB ALA A 32 15.147 3.724 3.681 1.00 0.00 C ATOM 0 H ALA A 32 13.819 4.306 1.714 1.00 0.00 H new ATOM 0 HA ALA A 32 13.253 2.735 4.006 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.535 3.495 4.674 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.496 2.973 2.973 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.501 4.707 3.371 1.00 0.00 H new ATOM 461 N THR A 33 12.533 5.818 4.294 1.00 0.00 N ATOM 462 CA THR A 33 12.026 6.838 5.212 1.00 0.00 C ATOM 463 C THR A 33 10.684 7.357 4.730 1.00 0.00 C ATOM 464 O THR A 33 10.324 8.508 4.967 1.00 0.00 O ATOM 465 CB THR A 33 13.054 7.978 5.339 1.00 0.00 C ATOM 466 OG1 THR A 33 13.827 8.034 4.153 1.00 0.00 O ATOM 467 CG2 THR A 33 13.989 7.713 6.534 1.00 0.00 C ATOM 0 H THR A 33 12.389 6.024 3.305 1.00 0.00 H new ATOM 0 HA THR A 33 11.878 6.398 6.198 1.00 0.00 H new ATOM 0 HB THR A 33 12.530 8.921 5.494 1.00 0.00 H new ATOM 0 HG1 THR A 33 13.231 8.050 3.375 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.713 8.524 6.617 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.401 7.656 7.450 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.516 6.771 6.382 1.00 0.00 H new ATOM 475 N ILE A 34 9.931 6.504 4.058 1.00 0.00 N ATOM 476 CA ILE A 34 8.628 6.938 3.581 1.00 0.00 C ATOM 477 C ILE A 34 7.698 7.229 4.752 1.00 0.00 C ATOM 478 O ILE A 34 7.364 8.384 5.023 1.00 0.00 O ATOM 479 CB ILE A 34 8.025 5.867 2.638 1.00 0.00 C ATOM 480 CG1 ILE A 34 8.368 6.236 1.189 1.00 0.00 C ATOM 481 CG2 ILE A 34 6.501 5.731 2.769 1.00 0.00 C ATOM 482 CD1 ILE A 34 7.566 7.460 0.706 1.00 0.00 C ATOM 0 H ILE A 34 10.185 5.541 3.836 1.00 0.00 H new ATOM 0 HA ILE A 34 8.748 7.863 3.016 1.00 0.00 H new ATOM 0 HB ILE A 34 8.457 4.908 2.923 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.435 6.446 1.110 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.161 5.386 0.539 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.144 4.965 2.081 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.247 5.448 3.791 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.029 6.683 2.528 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.837 7.689 -0.324 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.500 7.241 0.760 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.793 8.317 1.340 1.00 0.00 H new ATOM 494 N ALA A 35 7.273 6.174 5.417 1.00 0.00 N ATOM 495 CA ALA A 35 6.346 6.304 6.523 1.00 0.00 C ATOM 496 C ALA A 35 5.826 4.928 6.930 1.00 0.00 C ATOM 497 O ALA A 35 4.737 4.818 7.490 1.00 0.00 O ATOM 498 CB ALA A 35 5.167 7.202 6.098 1.00 0.00 C ATOM 0 H ALA A 35 7.555 5.216 5.211 1.00 0.00 H new ATOM 0 HA ALA A 35 6.859 6.754 7.373 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.468 7.302 6.928 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.542 8.187 5.819 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.657 6.753 5.246 1.00 0.00 H new ATOM 504 N THR A 36 6.581 3.871 6.615 1.00 0.00 N ATOM 505 CA THR A 36 6.155 2.510 6.940 1.00 0.00 C ATOM 506 C THR A 36 5.431 2.470 8.279 1.00 0.00 C ATOM 507 O THR A 36 4.434 1.765 8.431 1.00 0.00 O ATOM 508 CB THR A 36 7.382 1.607 7.020 1.00 0.00 C ATOM 509 OG1 THR A 36 8.119 1.942 8.186 1.00 0.00 O ATOM 510 CG2 THR A 36 8.262 1.814 5.786 1.00 0.00 C ATOM 0 H THR A 36 7.482 3.932 6.140 1.00 0.00 H new ATOM 0 HA THR A 36 5.474 2.167 6.161 1.00 0.00 H new ATOM 0 HB THR A 36 7.068 0.564 7.061 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.910 1.367 8.250 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.136 1.166 5.850 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.694 1.569 4.889 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.584 2.854 5.739 1.00 0.00 H new ATOM 518 N ASP A 37 5.929 3.228 9.246 1.00 0.00 N ATOM 519 CA ASP A 37 5.311 3.273 10.568 1.00 0.00 C ATOM 520 C ASP A 37 4.354 4.455 10.668 1.00 0.00 C ATOM 521 O ASP A 37 3.474 4.481 11.527 1.00 0.00 O ATOM 522 CB ASP A 37 6.398 3.420 11.627 1.00 0.00 C ATOM 523 CG ASP A 37 5.810 3.164 13.006 1.00 0.00 C ATOM 524 OD1 ASP A 37 5.149 2.153 13.168 1.00 0.00 O ATOM 525 OD2 ASP A 37 6.028 3.984 13.884 1.00 0.00 O ATOM 0 H ASP A 37 6.755 3.818 9.143 1.00 0.00 H new ATOM 0 HA ASP A 37 4.753 2.350 10.727 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.208 2.717 11.430 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.827 4.421 11.584 1.00 0.00 H new ATOM 530 N LEU A 38 4.537 5.447 9.796 1.00 0.00 N ATOM 531 CA LEU A 38 3.688 6.643 9.820 1.00 0.00 C ATOM 532 C LEU A 38 2.517 6.500 8.845 1.00 0.00 C ATOM 533 O LEU A 38 2.619 5.808 7.832 1.00 0.00 O ATOM 534 CB LEU A 38 4.521 7.886 9.449 1.00 0.00 C ATOM 535 CG LEU A 38 5.302 8.390 10.674 1.00 0.00 C ATOM 536 CD1 LEU A 38 6.524 9.183 10.211 1.00 0.00 C ATOM 537 CD2 LEU A 38 4.412 9.292 11.533 1.00 0.00 C ATOM 0 H LEU A 38 5.256 5.449 9.072 1.00 0.00 H new ATOM 0 HA LEU A 38 3.289 6.758 10.828 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.213 7.641 8.643 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.866 8.674 9.078 1.00 0.00 H new ATOM 0 HG LEU A 38 5.621 7.532 11.266 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.077 9.540 11.080 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.168 8.541 9.610 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.200 10.034 9.613 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.976 9.643 12.397 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.083 10.147 10.943 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.542 8.729 11.871 1.00 0.00 H new ATOM 549 N PRO A 39 1.420 7.153 9.122 1.00 0.00 N ATOM 550 CA PRO A 39 0.229 7.118 8.235 1.00 0.00 C ATOM 551 C PRO A 39 0.470 7.891 6.934 1.00 0.00 C ATOM 552 O PRO A 39 1.541 8.467 6.728 1.00 0.00 O ATOM 553 CB PRO A 39 -0.873 7.778 9.078 1.00 0.00 C ATOM 554 CG PRO A 39 -0.149 8.670 10.034 1.00 0.00 C ATOM 555 CD PRO A 39 1.186 7.983 10.317 1.00 0.00 C ATOM 0 HA PRO A 39 -0.027 6.106 7.921 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.561 8.346 8.452 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.466 7.031 9.607 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.004 9.660 9.605 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.721 8.805 10.952 1.00 0.00 H new ATOM 0 HD2 PRO A 39 1.986 8.709 10.461 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.139 7.376 11.221 1.00 0.00 H new ATOM 563 N LEU A 40 -0.538 7.906 6.074 1.00 0.00 N ATOM 564 CA LEU A 40 -0.450 8.621 4.807 1.00 0.00 C ATOM 565 C LEU A 40 -0.534 10.126 5.032 1.00 0.00 C ATOM 566 O LEU A 40 -0.006 10.915 4.248 1.00 0.00 O ATOM 567 CB LEU A 40 -1.578 8.170 3.864 1.00 0.00 C ATOM 568 CG LEU A 40 -2.940 8.716 4.333 1.00 0.00 C ATOM 569 CD1 LEU A 40 -4.006 8.374 3.295 1.00 0.00 C ATOM 570 CD2 LEU A 40 -3.309 8.092 5.680 1.00 0.00 C ATOM 0 H LEU A 40 -1.427 7.431 6.230 1.00 0.00 H new ATOM 0 HA LEU A 40 0.512 8.390 4.349 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.372 8.518 2.852 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.612 7.081 3.826 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.879 9.798 4.447 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.971 8.759 3.624 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.742 8.826 2.339 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -4.067 7.292 3.180 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.273 8.480 6.009 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.371 7.009 5.574 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.546 8.342 6.418 1.00 0.00 H new ATOM 582 N THR A 41 -1.224 10.514 6.102 1.00 0.00 N ATOM 583 CA THR A 41 -1.399 11.923 6.414 1.00 0.00 C ATOM 584 C THR A 41 -0.059 12.633 6.428 1.00 0.00 C ATOM 585 O THR A 41 0.022 13.811 6.085 1.00 0.00 O ATOM 586 CB THR A 41 -2.083 12.086 7.773 1.00 0.00 C ATOM 587 OG1 THR A 41 -1.388 11.313 8.737 1.00 0.00 O ATOM 588 CG2 THR A 41 -3.538 11.617 7.683 1.00 0.00 C ATOM 0 H THR A 41 -1.667 9.874 6.761 1.00 0.00 H new ATOM 0 HA THR A 41 -2.028 12.368 5.643 1.00 0.00 H new ATOM 0 HB THR A 41 -2.069 13.136 8.066 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.820 11.414 9.611 1.00 0.00 H new ATOM 0 HG21 THR A 41 -4.019 11.736 8.654 1.00 0.00 H new ATOM 0 HG22 THR A 41 -4.067 12.214 6.940 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.564 10.567 7.391 1.00 0.00 H new ATOM 596 N SER A 42 0.985 11.921 6.829 1.00 0.00 N ATOM 597 CA SER A 42 2.322 12.500 6.885 1.00 0.00 C ATOM 598 C SER A 42 2.629 13.245 5.583 1.00 0.00 C ATOM 599 O SER A 42 3.338 14.249 5.585 1.00 0.00 O ATOM 600 CB SER A 42 3.343 11.372 7.115 1.00 0.00 C ATOM 601 OG SER A 42 2.744 10.374 7.926 1.00 0.00 O ATOM 0 H SER A 42 0.934 10.945 7.120 1.00 0.00 H new ATOM 0 HA SER A 42 2.381 13.215 7.706 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.657 10.946 6.162 1.00 0.00 H new ATOM 0 HB3 SER A 42 4.238 11.765 7.598 1.00 0.00 H new ATOM 0 HG SER A 42 2.674 9.539 7.419 1.00 0.00 H new ATOM 607 N TYR A 43 2.087 12.746 4.477 1.00 0.00 N ATOM 608 CA TYR A 43 2.312 13.367 3.175 1.00 0.00 C ATOM 609 C TYR A 43 1.537 14.668 3.053 1.00 0.00 C ATOM 610 O TYR A 43 1.761 15.454 2.130 1.00 0.00 O ATOM 611 CB TYR A 43 1.886 12.402 2.067 1.00 0.00 C ATOM 612 CG TYR A 43 2.412 11.006 2.349 1.00 0.00 C ATOM 613 CD1 TYR A 43 3.717 10.814 2.835 1.00 0.00 C ATOM 614 CD2 TYR A 43 1.588 9.895 2.118 1.00 0.00 C ATOM 615 CE1 TYR A 43 4.183 9.522 3.088 1.00 0.00 C ATOM 616 CE2 TYR A 43 2.063 8.608 2.371 1.00 0.00 C ATOM 617 CZ TYR A 43 3.356 8.422 2.856 1.00 0.00 C ATOM 618 OH TYR A 43 3.808 7.149 3.110 1.00 0.00 O ATOM 0 H TYR A 43 1.492 11.918 4.455 1.00 0.00 H new ATOM 0 HA TYR A 43 3.374 13.592 3.077 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.799 12.380 1.994 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.263 12.752 1.106 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.358 11.665 3.013 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.585 10.036 1.744 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.185 9.374 3.464 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.427 7.754 2.191 1.00 0.00 H new ATOM 0 HH TYR A 43 3.104 6.503 2.894 1.00 0.00 H new ATOM 628 N GLY A 44 0.648 14.906 3.998 1.00 0.00 N ATOM 629 CA GLY A 44 -0.131 16.133 4.001 1.00 0.00 C ATOM 630 C GLY A 44 -1.026 16.213 2.777 1.00 0.00 C ATOM 631 O GLY A 44 -1.400 17.301 2.339 1.00 0.00 O ATOM 0 H GLY A 44 0.447 14.271 4.770 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.739 16.179 4.904 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.539 16.993 4.023 1.00 0.00 H new ATOM 635 N LEU A 45 -1.360 15.058 2.228 1.00 0.00 N ATOM 636 CA LEU A 45 -2.210 14.999 1.051 1.00 0.00 C ATOM 637 C LEU A 45 -3.665 15.358 1.381 1.00 0.00 C ATOM 638 O LEU A 45 -4.222 14.924 2.386 1.00 0.00 O ATOM 639 CB LEU A 45 -2.138 13.589 0.442 1.00 0.00 C ATOM 640 CG LEU A 45 -2.969 12.580 1.273 1.00 0.00 C ATOM 641 CD1 LEU A 45 -2.841 11.168 0.670 1.00 0.00 C ATOM 642 CD2 LEU A 45 -2.454 12.547 2.715 1.00 0.00 C ATOM 0 H LEU A 45 -1.056 14.149 2.578 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.848 15.734 0.332 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.508 13.613 -0.583 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.099 13.261 0.398 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.013 12.893 1.258 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.429 10.465 1.261 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.209 11.176 -0.356 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.795 10.862 0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.042 11.836 3.295 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.407 12.243 2.721 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.546 13.539 3.157 1.00 0.00 H new ATOM 654 N ASP A 46 -4.282 16.154 0.525 1.00 0.00 N ATOM 655 CA ASP A 46 -5.668 16.543 0.751 1.00 0.00 C ATOM 656 C ASP A 46 -6.572 15.310 0.762 1.00 0.00 C ATOM 657 O ASP A 46 -6.137 14.205 0.437 1.00 0.00 O ATOM 658 CB ASP A 46 -6.119 17.496 -0.347 1.00 0.00 C ATOM 659 CG ASP A 46 -5.431 18.844 -0.173 1.00 0.00 C ATOM 660 OD1 ASP A 46 -4.917 19.092 0.905 1.00 0.00 O ATOM 661 OD2 ASP A 46 -5.432 19.611 -1.120 1.00 0.00 O ATOM 0 H ASP A 46 -3.857 16.539 -0.319 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.739 17.041 1.718 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.880 17.078 -1.325 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -7.201 17.622 -0.310 1.00 0.00 H new ATOM 666 N SER A 47 -7.833 15.509 1.138 1.00 0.00 N ATOM 667 CA SER A 47 -8.794 14.410 1.185 1.00 0.00 C ATOM 668 C SER A 47 -9.093 13.898 -0.221 1.00 0.00 C ATOM 669 O SER A 47 -9.321 12.705 -0.426 1.00 0.00 O ATOM 670 CB SER A 47 -10.089 14.879 1.851 1.00 0.00 C ATOM 671 OG SER A 47 -10.630 15.969 1.115 1.00 0.00 O ATOM 0 H SER A 47 -8.212 16.415 1.413 1.00 0.00 H new ATOM 0 HA SER A 47 -8.362 13.597 1.768 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.808 14.060 1.891 1.00 0.00 H new ATOM 0 HB3 SER A 47 -9.893 15.182 2.880 1.00 0.00 H new ATOM 0 HG SER A 47 -11.461 16.270 1.539 1.00 0.00 H new ATOM 677 N VAL A 48 -9.084 14.810 -1.186 1.00 0.00 N ATOM 678 CA VAL A 48 -9.349 14.447 -2.572 1.00 0.00 C ATOM 679 C VAL A 48 -8.206 13.607 -3.127 1.00 0.00 C ATOM 680 O VAL A 48 -8.380 12.856 -4.081 1.00 0.00 O ATOM 681 CB VAL A 48 -9.527 15.706 -3.424 1.00 0.00 C ATOM 682 CG1 VAL A 48 -9.812 15.307 -4.875 1.00 0.00 C ATOM 683 CG2 VAL A 48 -10.701 16.523 -2.880 1.00 0.00 C ATOM 0 H VAL A 48 -8.897 15.801 -1.035 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.268 13.861 -2.606 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.616 16.304 -3.386 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.939 16.204 -5.481 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.977 14.722 -5.262 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.723 14.710 -4.916 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.831 17.421 -3.485 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.611 15.924 -2.920 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -10.499 16.807 -1.847 1.00 0.00 H new ATOM 693 N TYR A 49 -7.035 13.750 -2.532 1.00 0.00 N ATOM 694 CA TYR A 49 -5.870 13.002 -2.987 1.00 0.00 C ATOM 695 C TYR A 49 -6.085 11.498 -2.806 1.00 0.00 C ATOM 696 O TYR A 49 -5.878 10.712 -3.731 1.00 0.00 O ATOM 697 CB TYR A 49 -4.624 13.450 -2.195 1.00 0.00 C ATOM 698 CG TYR A 49 -3.498 13.804 -3.141 1.00 0.00 C ATOM 699 CD1 TYR A 49 -3.664 14.856 -4.043 1.00 0.00 C ATOM 700 CD2 TYR A 49 -2.302 13.080 -3.118 1.00 0.00 C ATOM 701 CE1 TYR A 49 -2.635 15.187 -4.928 1.00 0.00 C ATOM 702 CE2 TYR A 49 -1.272 13.410 -3.999 1.00 0.00 C ATOM 703 CZ TYR A 49 -1.435 14.464 -4.908 1.00 0.00 C ATOM 704 OH TYR A 49 -0.421 14.786 -5.785 1.00 0.00 O ATOM 0 H TYR A 49 -6.863 14.370 -1.740 1.00 0.00 H new ATOM 0 HA TYR A 49 -5.721 13.204 -4.048 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.870 14.311 -1.574 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.306 12.653 -1.523 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.588 15.414 -4.057 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.176 12.266 -2.419 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.764 16.000 -5.627 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.347 12.852 -3.980 1.00 0.00 H new ATOM 0 HH TYR A 49 0.341 14.188 -5.638 1.00 0.00 H new ATOM 714 N ALA A 50 -6.489 11.108 -1.602 1.00 0.00 N ATOM 715 CA ALA A 50 -6.703 9.700 -1.301 1.00 0.00 C ATOM 716 C ALA A 50 -7.489 9.041 -2.420 1.00 0.00 C ATOM 717 O ALA A 50 -7.241 7.892 -2.775 1.00 0.00 O ATOM 718 CB ALA A 50 -7.465 9.559 0.020 1.00 0.00 C ATOM 0 H ALA A 50 -6.673 11.743 -0.825 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.735 9.208 -1.210 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.622 8.503 0.239 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.887 10.014 0.824 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.430 10.060 -0.061 1.00 0.00 H new ATOM 724 N LEU A 51 -8.432 9.781 -2.979 1.00 0.00 N ATOM 725 CA LEU A 51 -9.237 9.251 -4.065 1.00 0.00 C ATOM 726 C LEU A 51 -8.379 8.953 -5.292 1.00 0.00 C ATOM 727 O LEU A 51 -8.481 7.877 -5.889 1.00 0.00 O ATOM 728 CB LEU A 51 -10.327 10.258 -4.437 1.00 0.00 C ATOM 729 CG LEU A 51 -11.125 9.764 -5.675 1.00 0.00 C ATOM 730 CD1 LEU A 51 -12.618 10.042 -5.474 1.00 0.00 C ATOM 731 CD2 LEU A 51 -10.643 10.499 -6.942 1.00 0.00 C ATOM 0 H LEU A 51 -8.657 10.737 -2.703 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.692 8.319 -3.729 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -11.003 10.399 -3.594 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.877 11.228 -4.650 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.962 8.693 -5.792 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.173 9.694 -6.345 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -12.969 9.517 -4.586 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.775 11.113 -5.348 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -11.208 10.146 -7.805 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.797 11.571 -6.821 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.583 10.300 -7.097 1.00 0.00 H new ATOM 743 N SER A 52 -7.527 9.905 -5.663 1.00 0.00 N ATOM 744 CA SER A 52 -6.664 9.735 -6.824 1.00 0.00 C ATOM 745 C SER A 52 -5.608 8.671 -6.571 1.00 0.00 C ATOM 746 O SER A 52 -5.437 7.744 -7.365 1.00 0.00 O ATOM 747 CB SER A 52 -5.984 11.061 -7.143 1.00 0.00 C ATOM 748 OG SER A 52 -5.282 10.947 -8.375 1.00 0.00 O ATOM 0 H SER A 52 -7.417 10.796 -5.179 1.00 0.00 H new ATOM 0 HA SER A 52 -7.277 9.414 -7.667 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.726 11.857 -7.207 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.295 11.331 -6.343 1.00 0.00 H new ATOM 0 HG SER A 52 -4.845 11.799 -8.583 1.00 0.00 H new ATOM 754 N ILE A 53 -4.893 8.811 -5.462 1.00 0.00 N ATOM 755 CA ILE A 53 -3.849 7.855 -5.131 1.00 0.00 C ATOM 756 C ILE A 53 -4.442 6.464 -4.962 1.00 0.00 C ATOM 757 O ILE A 53 -4.092 5.538 -5.688 1.00 0.00 O ATOM 758 CB ILE A 53 -3.159 8.280 -3.836 1.00 0.00 C ATOM 759 CG1 ILE A 53 -2.717 9.746 -3.954 1.00 0.00 C ATOM 760 CG2 ILE A 53 -1.945 7.387 -3.575 1.00 0.00 C ATOM 761 CD1 ILE A 53 -1.804 9.951 -5.169 1.00 0.00 C ATOM 0 H ILE A 53 -5.015 9.566 -4.787 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.121 7.831 -5.942 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.855 8.178 -3.003 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.594 10.388 -4.042 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.193 10.045 -3.046 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.458 7.696 -2.650 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.269 6.350 -3.486 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.242 7.478 -4.403 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.506 10.998 -5.228 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.916 9.327 -5.067 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -2.339 9.674 -6.077 1.00 0.00 H new ATOM 773 N ALA A 54 -5.353 6.321 -4.011 1.00 0.00 N ATOM 774 CA ALA A 54 -5.972 5.029 -3.775 1.00 0.00 C ATOM 775 C ALA A 54 -6.422 4.410 -5.089 1.00 0.00 C ATOM 776 O ALA A 54 -6.284 3.206 -5.287 1.00 0.00 O ATOM 777 CB ALA A 54 -7.172 5.184 -2.846 1.00 0.00 C ATOM 0 H ALA A 54 -5.675 7.071 -3.400 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.237 4.374 -3.307 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.629 4.209 -2.676 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.844 5.602 -1.894 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.902 5.852 -3.303 1.00 0.00 H new ATOM 783 N ALA A 55 -6.940 5.241 -5.992 1.00 0.00 N ATOM 784 CA ALA A 55 -7.385 4.751 -7.292 1.00 0.00 C ATOM 785 C ALA A 55 -6.197 4.232 -8.104 1.00 0.00 C ATOM 786 O ALA A 55 -6.308 3.245 -8.825 1.00 0.00 O ATOM 787 CB ALA A 55 -8.084 5.871 -8.060 1.00 0.00 C ATOM 0 H ALA A 55 -7.060 6.244 -5.849 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.086 3.931 -7.132 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.413 5.497 -9.029 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.948 6.217 -7.492 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.391 6.699 -8.207 1.00 0.00 H new ATOM 793 N GLU A 56 -5.063 4.911 -7.990 1.00 0.00 N ATOM 794 CA GLU A 56 -3.870 4.499 -8.729 1.00 0.00 C ATOM 795 C GLU A 56 -3.241 3.236 -8.120 1.00 0.00 C ATOM 796 O GLU A 56 -2.957 2.257 -8.822 1.00 0.00 O ATOM 797 CB GLU A 56 -2.843 5.636 -8.723 1.00 0.00 C ATOM 798 CG GLU A 56 -1.677 5.293 -9.656 1.00 0.00 C ATOM 799 CD GLU A 56 -2.139 5.355 -11.107 1.00 0.00 C ATOM 800 OE1 GLU A 56 -3.236 5.838 -11.338 1.00 0.00 O ATOM 801 OE2 GLU A 56 -1.394 4.913 -11.966 1.00 0.00 O ATOM 0 H GLU A 56 -4.941 5.737 -7.404 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.168 4.271 -9.752 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.315 6.565 -9.043 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.474 5.798 -7.710 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -0.855 5.991 -9.497 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.298 4.297 -9.428 1.00 0.00 H new ATOM 808 N LEU A 57 -3.025 3.267 -6.807 1.00 0.00 N ATOM 809 CA LEU A 57 -2.418 2.134 -6.109 1.00 0.00 C ATOM 810 C LEU A 57 -3.270 0.889 -6.284 1.00 0.00 C ATOM 811 O LEU A 57 -2.768 -0.175 -6.620 1.00 0.00 O ATOM 812 CB LEU A 57 -2.299 2.472 -4.613 1.00 0.00 C ATOM 813 CG LEU A 57 -1.029 3.294 -4.357 1.00 0.00 C ATOM 814 CD1 LEU A 57 -0.996 4.513 -5.274 1.00 0.00 C ATOM 815 CD2 LEU A 57 -1.001 3.747 -2.898 1.00 0.00 C ATOM 0 H LEU A 57 -3.259 4.058 -6.207 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.430 1.942 -6.527 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.176 3.032 -4.288 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.272 1.554 -4.026 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.157 2.674 -4.564 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.090 5.088 -5.082 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.006 4.186 -6.314 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.869 5.137 -5.082 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.099 4.331 -2.716 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.878 4.360 -2.690 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -1.006 2.874 -2.246 1.00 0.00 H new ATOM 827 N GLU A 58 -4.563 1.027 -6.066 1.00 0.00 N ATOM 828 CA GLU A 58 -5.452 -0.111 -6.206 1.00 0.00 C ATOM 829 C GLU A 58 -5.560 -0.553 -7.662 1.00 0.00 C ATOM 830 O GLU A 58 -5.624 -1.747 -7.950 1.00 0.00 O ATOM 831 CB GLU A 58 -6.831 0.244 -5.674 1.00 0.00 C ATOM 832 CG GLU A 58 -7.529 1.265 -6.603 1.00 0.00 C ATOM 833 CD GLU A 58 -8.383 0.573 -7.673 1.00 0.00 C ATOM 834 OE1 GLU A 58 -8.089 -0.561 -8.009 1.00 0.00 O ATOM 835 OE2 GLU A 58 -9.324 1.198 -8.140 1.00 0.00 O ATOM 0 H GLU A 58 -5.016 1.900 -5.796 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.037 -0.938 -5.629 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.439 -0.657 -5.594 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.743 0.659 -4.670 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.158 1.926 -6.008 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.777 1.890 -7.086 1.00 0.00 H new ATOM 842 N ASP A 59 -5.589 0.416 -8.574 1.00 0.00 N ATOM 843 CA ASP A 59 -5.698 0.110 -9.997 1.00 0.00 C ATOM 844 C ASP A 59 -4.547 -0.784 -10.428 1.00 0.00 C ATOM 845 O ASP A 59 -4.680 -1.587 -11.352 1.00 0.00 O ATOM 846 CB ASP A 59 -5.696 1.407 -10.815 1.00 0.00 C ATOM 847 CG ASP A 59 -5.530 1.104 -12.300 1.00 0.00 C ATOM 848 OD1 ASP A 59 -5.916 0.022 -12.709 1.00 0.00 O ATOM 849 OD2 ASP A 59 -5.021 1.959 -13.005 1.00 0.00 O ATOM 0 H ASP A 59 -5.539 1.411 -8.355 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.636 -0.416 -10.175 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.628 1.949 -10.651 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.887 2.055 -10.478 1.00 0.00 H new ATOM 854 N HIS A 60 -3.422 -0.644 -9.752 1.00 0.00 N ATOM 855 CA HIS A 60 -2.259 -1.458 -10.076 1.00 0.00 C ATOM 856 C HIS A 60 -2.456 -2.913 -9.631 1.00 0.00 C ATOM 857 O HIS A 60 -1.973 -3.841 -10.280 1.00 0.00 O ATOM 858 CB HIS A 60 -1.001 -0.865 -9.416 1.00 0.00 C ATOM 859 CG HIS A 60 -0.532 0.318 -10.208 1.00 0.00 C ATOM 860 ND1 HIS A 60 -0.302 0.247 -11.571 1.00 0.00 N ATOM 861 CD2 HIS A 60 -0.251 1.608 -9.843 1.00 0.00 C ATOM 862 CE1 HIS A 60 0.098 1.464 -11.975 1.00 0.00 C ATOM 863 NE2 HIS A 60 0.146 2.333 -10.960 1.00 0.00 N ATOM 0 H HIS A 60 -3.286 0.015 -8.985 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.133 -1.453 -11.159 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.222 -0.566 -8.391 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -0.214 -1.618 -9.366 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -0.326 2.002 -8.840 1.00 0.00 H new ATOM 0 HE1 HIS A 60 0.350 1.711 -12.996 1.00 0.00 H new ATOM 0 HE2 HIS A 60 0.416 3.316 -10.998 1.00 0.00 H new ATOM 872 N LEU A 61 -3.134 -3.099 -8.504 1.00 0.00 N ATOM 873 CA LEU A 61 -3.350 -4.430 -7.945 1.00 0.00 C ATOM 874 C LEU A 61 -4.767 -4.883 -8.210 1.00 0.00 C ATOM 875 O LEU A 61 -5.254 -5.824 -7.593 1.00 0.00 O ATOM 876 CB LEU A 61 -3.062 -4.416 -6.423 1.00 0.00 C ATOM 877 CG LEU A 61 -1.606 -4.005 -6.113 1.00 0.00 C ATOM 878 CD1 LEU A 61 -0.619 -4.650 -7.081 1.00 0.00 C ATOM 879 CD2 LEU A 61 -1.461 -2.493 -6.198 1.00 0.00 C ATOM 0 H LEU A 61 -3.545 -2.342 -7.957 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.668 -5.132 -8.424 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.746 -3.725 -5.931 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.255 -5.405 -6.008 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.379 -4.350 -5.104 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.394 -4.336 -6.830 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.692 -5.735 -7.006 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.853 -4.340 -8.099 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.431 -2.213 -5.978 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -1.721 -2.158 -7.202 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.127 -2.022 -5.475 1.00 0.00 H new ATOM 891 N ASP A 62 -5.415 -4.231 -9.160 1.00 0.00 N ATOM 892 CA ASP A 62 -6.769 -4.606 -9.535 1.00 0.00 C ATOM 893 C ASP A 62 -7.601 -4.946 -8.310 1.00 0.00 C ATOM 894 O ASP A 62 -8.016 -6.091 -8.136 1.00 0.00 O ATOM 895 CB ASP A 62 -6.714 -5.819 -10.435 1.00 0.00 C ATOM 896 CG ASP A 62 -6.135 -5.432 -11.799 1.00 0.00 C ATOM 897 OD1 ASP A 62 -6.049 -4.243 -12.068 1.00 0.00 O ATOM 898 OD2 ASP A 62 -5.793 -6.325 -12.558 1.00 0.00 O ATOM 0 H ASP A 62 -5.030 -3.445 -9.683 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.230 -3.763 -10.049 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.100 -6.595 -9.977 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.714 -6.235 -10.560 1.00 0.00 H new ATOM 903 N VAL A 63 -7.827 -3.957 -7.468 1.00 0.00 N ATOM 904 CA VAL A 63 -8.597 -4.161 -6.246 1.00 0.00 C ATOM 905 C VAL A 63 -9.404 -2.918 -5.911 1.00 0.00 C ATOM 906 O VAL A 63 -9.059 -1.820 -6.323 1.00 0.00 O ATOM 907 CB VAL A 63 -7.634 -4.485 -5.083 1.00 0.00 C ATOM 908 CG1 VAL A 63 -7.262 -5.955 -5.119 1.00 0.00 C ATOM 909 CG2 VAL A 63 -6.345 -3.664 -5.218 1.00 0.00 C ATOM 0 H VAL A 63 -7.491 -3.003 -7.603 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.286 -4.992 -6.397 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.135 -4.242 -4.146 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -6.582 -6.179 -4.297 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.163 -6.561 -5.020 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -6.773 -6.183 -6.066 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.674 -3.901 -4.392 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.857 -3.905 -6.162 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.586 -2.601 -5.195 1.00 0.00 H new ATOM 919 N SER A 64 -10.496 -3.094 -5.178 1.00 0.00 N ATOM 920 CA SER A 64 -11.340 -1.970 -4.789 1.00 0.00 C ATOM 921 C SER A 64 -11.268 -1.786 -3.281 1.00 0.00 C ATOM 922 O SER A 64 -11.420 -2.744 -2.523 1.00 0.00 O ATOM 923 CB SER A 64 -12.782 -2.228 -5.208 1.00 0.00 C ATOM 924 OG SER A 64 -13.601 -1.169 -4.735 1.00 0.00 O ATOM 0 H SER A 64 -10.818 -4.001 -4.841 1.00 0.00 H new ATOM 0 HA SER A 64 -10.986 -1.066 -5.285 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.851 -2.300 -6.293 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.127 -3.179 -4.803 1.00 0.00 H new ATOM 0 HG SER A 64 -14.530 -1.329 -5.003 1.00 0.00 H new ATOM 930 N LEU A 65 -11.021 -0.551 -2.852 1.00 0.00 N ATOM 931 CA LEU A 65 -10.910 -0.238 -1.425 1.00 0.00 C ATOM 932 C LEU A 65 -12.157 0.486 -0.955 1.00 0.00 C ATOM 933 O LEU A 65 -12.893 1.061 -1.756 1.00 0.00 O ATOM 934 CB LEU A 65 -9.672 0.647 -1.155 1.00 0.00 C ATOM 935 CG LEU A 65 -8.639 0.449 -2.274 1.00 0.00 C ATOM 936 CD1 LEU A 65 -9.063 1.241 -3.540 1.00 0.00 C ATOM 937 CD2 LEU A 65 -7.253 0.924 -1.790 1.00 0.00 C ATOM 0 H LEU A 65 -10.894 0.251 -3.470 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.801 -1.174 -0.877 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.967 1.695 -1.101 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.232 0.389 -0.191 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.586 -0.610 -2.528 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -8.323 1.093 -4.327 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.034 0.885 -3.884 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -9.130 2.302 -3.300 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -6.522 0.783 -2.586 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.302 1.980 -1.526 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.955 0.345 -0.916 1.00 0.00 H new ATOM 949 N ASP A 66 -12.393 0.446 0.347 1.00 0.00 N ATOM 950 CA ASP A 66 -13.563 1.096 0.922 1.00 0.00 C ATOM 951 C ASP A 66 -13.200 2.494 1.441 1.00 0.00 C ATOM 952 O ASP A 66 -12.040 2.783 1.708 1.00 0.00 O ATOM 953 CB ASP A 66 -14.121 0.216 2.065 1.00 0.00 C ATOM 954 CG ASP A 66 -15.461 -0.415 1.655 1.00 0.00 C ATOM 955 OD1 ASP A 66 -15.505 -1.026 0.597 1.00 0.00 O ATOM 956 OD2 ASP A 66 -16.419 -0.267 2.394 1.00 0.00 O ATOM 0 H ASP A 66 -11.794 -0.027 1.024 1.00 0.00 H new ATOM 0 HA ASP A 66 -14.327 1.213 0.154 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.404 -0.567 2.312 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.256 0.819 2.963 1.00 0.00 H new ATOM 961 N PRO A 67 -14.171 3.353 1.583 1.00 0.00 N ATOM 962 CA PRO A 67 -13.949 4.745 2.079 1.00 0.00 C ATOM 963 C PRO A 67 -13.407 4.775 3.509 1.00 0.00 C ATOM 964 O PRO A 67 -12.219 5.011 3.733 1.00 0.00 O ATOM 965 CB PRO A 67 -15.350 5.388 1.998 1.00 0.00 C ATOM 966 CG PRO A 67 -16.312 4.240 1.989 1.00 0.00 C ATOM 967 CD PRO A 67 -15.590 3.098 1.286 1.00 0.00 C ATOM 0 HA PRO A 67 -13.199 5.274 1.491 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -15.531 6.046 2.848 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -15.453 5.995 1.098 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -16.594 3.958 3.004 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -17.230 4.504 1.464 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -15.911 2.127 1.664 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -15.782 3.102 0.213 1.00 0.00 H new ATOM 975 N THR A 68 -14.289 4.539 4.470 1.00 0.00 N ATOM 976 CA THR A 68 -13.894 4.554 5.866 1.00 0.00 C ATOM 977 C THR A 68 -12.849 3.492 6.121 1.00 0.00 C ATOM 978 O THR A 68 -12.151 3.522 7.129 1.00 0.00 O ATOM 979 CB THR A 68 -15.112 4.304 6.763 1.00 0.00 C ATOM 980 OG1 THR A 68 -14.722 4.390 8.128 1.00 0.00 O ATOM 981 CG2 THR A 68 -15.689 2.917 6.481 1.00 0.00 C ATOM 0 H THR A 68 -15.275 4.336 4.308 1.00 0.00 H new ATOM 0 HA THR A 68 -13.475 5.533 6.099 1.00 0.00 H new ATOM 0 HB THR A 68 -15.872 5.056 6.554 1.00 0.00 H new ATOM 0 HG1 THR A 68 -13.772 4.166 8.211 1.00 0.00 H new ATOM 0 HG21 THR A 68 -16.554 2.746 7.122 1.00 0.00 H new ATOM 0 HG22 THR A 68 -15.993 2.855 5.436 1.00 0.00 H new ATOM 0 HG23 THR A 68 -14.932 2.160 6.684 1.00 0.00 H new ATOM 989 N LEU A 69 -12.743 2.549 5.206 1.00 0.00 N ATOM 990 CA LEU A 69 -11.763 1.483 5.372 1.00 0.00 C ATOM 991 C LEU A 69 -10.355 2.022 5.216 1.00 0.00 C ATOM 992 O LEU A 69 -9.474 1.694 6.006 1.00 0.00 O ATOM 993 CB LEU A 69 -12.029 0.371 4.352 1.00 0.00 C ATOM 994 CG LEU A 69 -11.006 -0.775 4.456 1.00 0.00 C ATOM 995 CD1 LEU A 69 -9.645 -0.373 3.850 1.00 0.00 C ATOM 996 CD2 LEU A 69 -10.881 -1.208 5.917 1.00 0.00 C ATOM 0 H LEU A 69 -13.306 2.494 4.358 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.857 1.072 6.377 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -13.033 -0.026 4.504 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -12.001 0.790 3.346 1.00 0.00 H new ATOM 0 HG LEU A 69 -11.359 -1.625 3.872 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.947 -1.205 3.940 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.775 -0.121 2.798 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.250 0.492 4.384 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -10.158 -2.019 5.995 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.546 -0.364 6.519 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.850 -1.550 6.279 1.00 0.00 H new ATOM 1008 N ILE A 70 -10.146 2.859 4.205 1.00 0.00 N ATOM 1009 CA ILE A 70 -8.829 3.419 3.965 1.00 0.00 C ATOM 1010 C ILE A 70 -8.364 4.203 5.181 1.00 0.00 C ATOM 1011 O ILE A 70 -7.208 4.098 5.594 1.00 0.00 O ATOM 1012 CB ILE A 70 -8.871 4.329 2.730 1.00 0.00 C ATOM 1013 CG1 ILE A 70 -9.066 3.484 1.461 1.00 0.00 C ATOM 1014 CG2 ILE A 70 -7.561 5.115 2.616 1.00 0.00 C ATOM 1015 CD1 ILE A 70 -9.551 4.378 0.314 1.00 0.00 C ATOM 0 H ILE A 70 -10.866 3.160 3.547 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.123 2.608 3.785 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.704 5.024 2.835 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.128 3.001 1.187 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.790 2.691 1.648 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.598 5.759 1.737 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.425 5.726 3.508 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.727 4.420 2.522 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.688 3.775 -0.584 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.499 4.840 0.589 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.811 5.155 0.120 1.00 0.00 H new ATOM 1027 N TRP A 71 -9.269 4.977 5.755 1.00 0.00 N ATOM 1028 CA TRP A 71 -8.937 5.764 6.927 1.00 0.00 C ATOM 1029 C TRP A 71 -8.651 4.853 8.120 1.00 0.00 C ATOM 1030 O TRP A 71 -8.251 5.323 9.185 1.00 0.00 O ATOM 1031 CB TRP A 71 -10.094 6.715 7.263 1.00 0.00 C ATOM 1032 CG TRP A 71 -10.087 7.869 6.310 1.00 0.00 C ATOM 1033 CD1 TRP A 71 -11.057 8.141 5.407 1.00 0.00 C ATOM 1034 CD2 TRP A 71 -9.072 8.900 6.147 1.00 0.00 C ATOM 1035 NE1 TRP A 71 -10.704 9.282 4.705 1.00 0.00 N ATOM 1036 CE2 TRP A 71 -9.487 9.784 5.124 1.00 0.00 C ATOM 1037 CE3 TRP A 71 -7.844 9.153 6.785 1.00 0.00 C ATOM 1038 CZ2 TRP A 71 -8.706 10.880 4.745 1.00 0.00 C ATOM 1039 CZ3 TRP A 71 -7.060 10.253 6.408 1.00 0.00 C ATOM 1040 CH2 TRP A 71 -7.490 11.115 5.389 1.00 0.00 C ATOM 0 H TRP A 71 -10.231 5.076 5.431 1.00 0.00 H new ATOM 0 HA TRP A 71 -8.042 6.348 6.712 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -11.044 6.184 7.201 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -9.997 7.075 8.287 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.958 7.564 5.258 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -11.273 9.700 3.969 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -7.503 8.495 7.571 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -9.041 11.541 3.959 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -6.119 10.437 6.906 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -6.881 11.960 5.103 1.00 0.00 H new ATOM 1051 N ASP A 72 -8.849 3.544 7.932 1.00 0.00 N ATOM 1052 CA ASP A 72 -8.597 2.574 9.002 1.00 0.00 C ATOM 1053 C ASP A 72 -7.216 1.944 8.836 1.00 0.00 C ATOM 1054 O ASP A 72 -6.580 1.544 9.813 1.00 0.00 O ATOM 1055 CB ASP A 72 -9.667 1.486 8.989 1.00 0.00 C ATOM 1056 CG ASP A 72 -9.627 0.714 10.302 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -8.726 0.968 11.085 1.00 0.00 O ATOM 1058 OD2 ASP A 72 -10.496 -0.116 10.507 1.00 0.00 O ATOM 0 H ASP A 72 -9.180 3.135 7.058 1.00 0.00 H new ATOM 0 HA ASP A 72 -8.632 3.097 9.958 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -10.652 1.932 8.847 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.501 0.808 8.152 1.00 0.00 H new ATOM 1063 N HIS A 73 -6.755 1.876 7.585 1.00 0.00 N ATOM 1064 CA HIS A 73 -5.438 1.314 7.270 1.00 0.00 C ATOM 1065 C HIS A 73 -4.536 2.383 6.641 1.00 0.00 C ATOM 1066 O HIS A 73 -3.981 2.185 5.562 1.00 0.00 O ATOM 1067 CB HIS A 73 -5.596 0.140 6.298 1.00 0.00 C ATOM 1068 CG HIS A 73 -6.714 -0.745 6.764 1.00 0.00 C ATOM 1069 ND1 HIS A 73 -7.195 -0.713 8.063 1.00 0.00 N ATOM 1070 CD2 HIS A 73 -7.466 -1.685 6.110 1.00 0.00 C ATOM 1071 CE1 HIS A 73 -8.192 -1.614 8.144 1.00 0.00 C ATOM 1072 NE2 HIS A 73 -8.391 -2.235 6.984 1.00 0.00 N ATOM 0 H HIS A 73 -7.275 2.204 6.771 1.00 0.00 H new ATOM 0 HA HIS A 73 -4.978 0.964 8.194 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.805 0.510 5.294 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.667 -0.428 6.242 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.355 -1.957 5.071 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.761 -1.809 9.041 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -9.078 -2.961 6.781 1.00 0.00 H new ATOM 1081 N PRO A 74 -4.385 3.504 7.293 1.00 0.00 N ATOM 1082 CA PRO A 74 -3.536 4.627 6.796 1.00 0.00 C ATOM 1083 C PRO A 74 -2.050 4.290 6.834 1.00 0.00 C ATOM 1084 O PRO A 74 -1.218 5.062 6.360 1.00 0.00 O ATOM 1085 CB PRO A 74 -3.860 5.775 7.763 1.00 0.00 C ATOM 1086 CG PRO A 74 -4.296 5.105 9.022 1.00 0.00 C ATOM 1087 CD PRO A 74 -5.017 3.837 8.578 1.00 0.00 C ATOM 0 HA PRO A 74 -3.742 4.865 5.753 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.988 6.406 7.933 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.646 6.417 7.365 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.442 4.869 9.657 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.956 5.750 9.602 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.895 3.033 9.304 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.088 4.005 8.465 1.00 0.00 H new ATOM 1095 N THR A 75 -1.728 3.129 7.392 1.00 0.00 N ATOM 1096 CA THR A 75 -0.333 2.688 7.493 1.00 0.00 C ATOM 1097 C THR A 75 -0.063 1.519 6.554 1.00 0.00 C ATOM 1098 O THR A 75 -0.987 0.883 6.050 1.00 0.00 O ATOM 1099 CB THR A 75 -0.021 2.279 8.931 1.00 0.00 C ATOM 1100 OG1 THR A 75 -1.042 1.410 9.407 1.00 0.00 O ATOM 1101 CG2 THR A 75 0.048 3.529 9.817 1.00 0.00 C ATOM 0 H THR A 75 -2.407 2.475 7.781 1.00 0.00 H new ATOM 0 HA THR A 75 0.311 3.518 7.203 1.00 0.00 H new ATOM 0 HB THR A 75 0.938 1.763 8.963 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.842 1.145 10.329 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.271 3.236 10.843 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.832 4.192 9.451 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.910 4.049 9.788 1.00 0.00 H new ATOM 1109 N ILE A 76 1.217 1.252 6.323 1.00 0.00 N ATOM 1110 CA ILE A 76 1.625 0.164 5.440 1.00 0.00 C ATOM 1111 C ILE A 76 1.349 -1.188 6.082 1.00 0.00 C ATOM 1112 O ILE A 76 0.910 -2.124 5.418 1.00 0.00 O ATOM 1113 CB ILE A 76 3.112 0.277 5.099 1.00 0.00 C ATOM 1114 CG1 ILE A 76 3.415 1.686 4.564 1.00 0.00 C ATOM 1115 CG2 ILE A 76 3.496 -0.774 4.047 1.00 0.00 C ATOM 1116 CD1 ILE A 76 2.486 2.050 3.403 1.00 0.00 C ATOM 0 H ILE A 76 1.991 1.774 6.735 1.00 0.00 H new ATOM 0 HA ILE A 76 1.042 0.243 4.523 1.00 0.00 H new ATOM 0 HB ILE A 76 3.697 0.101 6.002 1.00 0.00 H new ATOM 0 HG12 ILE A 76 3.301 2.415 5.367 1.00 0.00 H new ATOM 0 HG13 ILE A 76 4.452 1.737 4.233 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.557 -0.684 3.813 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.295 -1.771 4.439 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.910 -0.614 3.142 1.00 0.00 H new ATOM 0 HD11 ILE A 76 2.725 3.052 3.046 1.00 0.00 H new ATOM 0 HD12 ILE A 76 2.620 1.334 2.592 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.451 2.023 3.743 1.00 0.00 H new ATOM 1128 N ASP A 77 1.634 -1.293 7.375 1.00 0.00 N ATOM 1129 CA ASP A 77 1.434 -2.549 8.084 1.00 0.00 C ATOM 1130 C ASP A 77 0.028 -3.087 7.846 1.00 0.00 C ATOM 1131 O ASP A 77 -0.147 -4.246 7.469 1.00 0.00 O ATOM 1132 CB ASP A 77 1.643 -2.327 9.583 1.00 0.00 C ATOM 1133 CG ASP A 77 1.397 -3.625 10.346 1.00 0.00 C ATOM 1134 OD1 ASP A 77 1.017 -4.600 9.719 1.00 0.00 O ATOM 1135 OD2 ASP A 77 1.598 -3.626 11.550 1.00 0.00 O ATOM 0 H ASP A 77 2.000 -0.532 7.947 1.00 0.00 H new ATOM 0 HA ASP A 77 2.154 -3.276 7.710 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.658 -1.974 9.768 1.00 0.00 H new ATOM 0 HB3 ASP A 77 0.966 -1.552 9.941 1.00 0.00 H new ATOM 1140 N ALA A 78 -0.972 -2.243 8.062 1.00 0.00 N ATOM 1141 CA ALA A 78 -2.353 -2.663 7.868 1.00 0.00 C ATOM 1142 C ALA A 78 -2.637 -2.932 6.395 1.00 0.00 C ATOM 1143 O ALA A 78 -3.244 -3.943 6.041 1.00 0.00 O ATOM 1144 CB ALA A 78 -3.301 -1.575 8.385 1.00 0.00 C ATOM 0 H ALA A 78 -0.856 -1.277 8.367 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.514 -3.586 8.425 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.333 -1.892 8.238 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.120 -1.409 9.447 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.125 -0.649 7.838 1.00 0.00 H new ATOM 1150 N LEU A 79 -2.214 -2.014 5.540 1.00 0.00 N ATOM 1151 CA LEU A 79 -2.466 -2.161 4.113 1.00 0.00 C ATOM 1152 C LEU A 79 -1.865 -3.468 3.600 1.00 0.00 C ATOM 1153 O LEU A 79 -2.520 -4.231 2.888 1.00 0.00 O ATOM 1154 CB LEU A 79 -1.848 -0.971 3.362 1.00 0.00 C ATOM 1155 CG LEU A 79 -2.816 -0.442 2.285 1.00 0.00 C ATOM 1156 CD1 LEU A 79 -3.287 -1.592 1.356 1.00 0.00 C ATOM 1157 CD2 LEU A 79 -4.038 0.236 2.968 1.00 0.00 C ATOM 0 H LEU A 79 -1.702 -1.171 5.802 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.542 -2.183 3.941 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.610 -0.174 4.067 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.910 -1.276 2.897 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.293 0.293 1.674 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.969 -1.196 0.604 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.423 -2.039 0.863 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.800 -2.351 1.947 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.721 0.609 2.205 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.555 -0.492 3.593 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.695 1.066 3.585 1.00 0.00 H new ATOM 1169 N SER A 80 -0.616 -3.717 3.964 1.00 0.00 N ATOM 1170 CA SER A 80 0.055 -4.924 3.523 1.00 0.00 C ATOM 1171 C SER A 80 -0.687 -6.152 4.020 1.00 0.00 C ATOM 1172 O SER A 80 -0.932 -7.086 3.261 1.00 0.00 O ATOM 1173 CB SER A 80 1.489 -4.938 4.045 1.00 0.00 C ATOM 1174 OG SER A 80 2.201 -3.838 3.493 1.00 0.00 O ATOM 0 H SER A 80 -0.054 -3.106 4.557 1.00 0.00 H new ATOM 0 HA SER A 80 0.068 -4.940 2.433 1.00 0.00 H new ATOM 0 HB2 SER A 80 1.493 -4.879 5.133 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.977 -5.874 3.775 1.00 0.00 H new ATOM 0 HG SER A 80 1.858 -3.002 3.873 1.00 0.00 H new ATOM 1180 N THR A 81 -1.046 -6.135 5.301 1.00 0.00 N ATOM 1181 CA THR A 81 -1.767 -7.256 5.900 1.00 0.00 C ATOM 1182 C THR A 81 -3.001 -7.595 5.068 1.00 0.00 C ATOM 1183 O THR A 81 -3.328 -8.765 4.853 1.00 0.00 O ATOM 1184 CB THR A 81 -2.187 -6.907 7.330 1.00 0.00 C ATOM 1185 OG1 THR A 81 -1.027 -6.654 8.111 1.00 0.00 O ATOM 1186 CG2 THR A 81 -2.964 -8.079 7.935 1.00 0.00 C ATOM 0 H THR A 81 -0.852 -5.364 5.940 1.00 0.00 H new ATOM 0 HA THR A 81 -1.106 -8.123 5.923 1.00 0.00 H new ATOM 0 HB THR A 81 -2.821 -6.020 7.318 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.739 -5.727 7.978 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.263 -7.830 8.953 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.852 -8.276 7.334 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.331 -8.966 7.949 1.00 0.00 H new ATOM 1194 N ALA A 82 -3.691 -6.566 4.608 1.00 0.00 N ATOM 1195 CA ALA A 82 -4.886 -6.774 3.803 1.00 0.00 C ATOM 1196 C ALA A 82 -4.539 -7.380 2.438 1.00 0.00 C ATOM 1197 O ALA A 82 -5.221 -8.298 1.958 1.00 0.00 O ATOM 1198 CB ALA A 82 -5.600 -5.441 3.587 1.00 0.00 C ATOM 0 H ALA A 82 -3.450 -5.589 4.774 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.534 -7.468 4.338 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.494 -5.601 2.984 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.883 -5.020 4.551 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -4.933 -4.750 3.071 1.00 0.00 H new ATOM 1204 N LEU A 83 -3.480 -6.876 1.811 1.00 0.00 N ATOM 1205 CA LEU A 83 -3.094 -7.370 0.497 1.00 0.00 C ATOM 1206 C LEU A 83 -2.738 -8.854 0.557 1.00 0.00 C ATOM 1207 O LEU A 83 -3.254 -9.656 -0.218 1.00 0.00 O ATOM 1208 CB LEU A 83 -1.894 -6.555 -0.018 1.00 0.00 C ATOM 1209 CG LEU A 83 -1.961 -6.414 -1.538 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -0.719 -5.662 -2.039 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -2.037 -7.807 -2.176 1.00 0.00 C ATOM 0 H LEU A 83 -2.884 -6.138 2.185 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.935 -7.254 -0.186 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.890 -5.569 0.446 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.963 -7.045 0.268 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.850 -5.849 -1.818 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.767 -5.562 -3.123 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.685 -4.672 -1.584 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.178 -6.218 -1.766 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.085 -7.708 -3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.152 -8.381 -1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.928 -8.323 -1.819 1.00 0.00 H new ATOM 1223 N VAL A 84 -1.859 -9.219 1.485 1.00 0.00 N ATOM 1224 CA VAL A 84 -1.466 -10.609 1.619 1.00 0.00 C ATOM 1225 C VAL A 84 -2.689 -11.454 1.944 1.00 0.00 C ATOM 1226 O VAL A 84 -2.787 -12.605 1.517 1.00 0.00 O ATOM 1227 CB VAL A 84 -0.418 -10.751 2.731 1.00 0.00 C ATOM 1228 CG1 VAL A 84 -1.006 -10.264 4.048 1.00 0.00 C ATOM 1229 CG2 VAL A 84 0.019 -12.216 2.871 1.00 0.00 C ATOM 0 H VAL A 84 -1.414 -8.580 2.144 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.031 -10.953 0.681 1.00 0.00 H new ATOM 0 HB VAL A 84 0.454 -10.149 2.474 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.262 -10.365 4.838 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.295 -9.217 3.953 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.883 -10.861 4.298 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.762 -12.300 3.664 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.846 -12.832 3.118 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.451 -12.558 1.931 1.00 0.00 H new ATOM 1239 N ALA A 85 -3.621 -10.878 2.697 1.00 0.00 N ATOM 1240 CA ALA A 85 -4.829 -11.604 3.060 1.00 0.00 C ATOM 1241 C ALA A 85 -5.536 -12.089 1.805 1.00 0.00 C ATOM 1242 O ALA A 85 -6.112 -13.178 1.785 1.00 0.00 O ATOM 1243 CB ALA A 85 -5.768 -10.704 3.864 1.00 0.00 C ATOM 0 H ALA A 85 -3.564 -9.927 3.062 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.551 -12.461 3.673 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.667 -11.260 4.129 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.265 -10.373 4.773 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.042 -9.836 3.264 1.00 0.00 H new