USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=16 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 Set 1.1: A 22 CYS SG : rot -48:sc= -5.65! USER MOD Set 1.2: A 26 HIS : no HD1:sc= -3.28! C(o=-8.9!,f=-23!) USER MOD Single : A 11 THR OG1 : rot 23:sc= 0.246 USER MOD Single : A 14 SER OG : rot -22:sc= -0.581 USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.619 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.088 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.239 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot -170:sc= -2.35! 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 -7:sc= 0.287 USER MOD Single : A 60 HIS : no HD1:sc= -0.141 X(o=-0.14,f=-0.17) USER MOD Single : A 64 SER OG : rot 17:sc= 0.686 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HD1:sc= -7.22! C(o=-7.2!,f=-13!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -74:sc= 0.645 USER MOD Single : A 81 THR OG1 : rot 65:sc= 1.24 USER MOD ----------------------------------------------------------------- ATOM 136 N THR A 11 4.386 -12.757 -2.443 1.00 0.00 N ATOM 137 CA THR A 11 4.894 -13.012 -1.094 1.00 0.00 C ATOM 138 C THR A 11 4.825 -11.750 -0.250 1.00 0.00 C ATOM 139 O THR A 11 4.828 -10.637 -0.765 1.00 0.00 O ATOM 140 CB THR A 11 6.338 -13.502 -1.171 1.00 0.00 C ATOM 141 OG1 THR A 11 6.423 -14.583 -2.091 1.00 0.00 O ATOM 142 CG2 THR A 11 6.790 -13.967 0.210 1.00 0.00 C ATOM 0 HA THR A 11 4.274 -13.778 -0.627 1.00 0.00 H new ATOM 0 HB THR A 11 6.982 -12.690 -1.508 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.672 -14.538 -2.719 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.821 -14.317 0.157 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.725 -13.137 0.913 1.00 0.00 H new ATOM 0 HG23 THR A 11 6.148 -14.780 0.548 1.00 0.00 H new ATOM 150 N LEU A 12 4.741 -11.931 1.056 1.00 0.00 N ATOM 151 CA LEU A 12 4.644 -10.796 1.967 1.00 0.00 C ATOM 152 C LEU A 12 5.718 -9.760 1.655 1.00 0.00 C ATOM 153 O LEU A 12 5.454 -8.561 1.679 1.00 0.00 O ATOM 154 CB LEU A 12 4.828 -11.278 3.419 1.00 0.00 C ATOM 155 CG LEU A 12 3.535 -11.925 3.920 1.00 0.00 C ATOM 156 CD1 LEU A 12 3.336 -13.279 3.231 1.00 0.00 C ATOM 157 CD2 LEU A 12 3.619 -12.133 5.433 1.00 0.00 C ATOM 0 H LEU A 12 4.738 -12.844 1.510 1.00 0.00 H new ATOM 0 HA LEU A 12 3.661 -10.342 1.842 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.648 -11.994 3.473 1.00 0.00 H new ATOM 0 HB3 LEU A 12 5.096 -10.438 4.059 1.00 0.00 H new ATOM 0 HG LEU A 12 2.693 -11.273 3.688 1.00 0.00 H new ATOM 0 HD11 LEU A 12 2.415 -13.738 3.590 1.00 0.00 H new ATOM 0 HD12 LEU A 12 3.273 -13.133 2.153 1.00 0.00 H new ATOM 0 HD13 LEU A 12 4.179 -13.931 3.460 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.697 -12.594 5.789 1.00 0.00 H new ATOM 0 HD22 LEU A 12 4.463 -12.783 5.665 1.00 0.00 H new ATOM 0 HD23 LEU A 12 3.757 -11.170 5.926 1.00 0.00 H new ATOM 169 N ASP A 13 6.926 -10.233 1.383 1.00 0.00 N ATOM 170 CA ASP A 13 8.030 -9.333 1.094 1.00 0.00 C ATOM 171 C ASP A 13 7.770 -8.538 -0.180 1.00 0.00 C ATOM 172 O ASP A 13 8.040 -7.343 -0.220 1.00 0.00 O ATOM 173 CB ASP A 13 9.325 -10.125 0.917 1.00 0.00 C ATOM 174 CG ASP A 13 9.392 -11.244 1.957 1.00 0.00 C ATOM 175 OD1 ASP A 13 8.912 -12.329 1.671 1.00 0.00 O ATOM 176 OD2 ASP A 13 9.919 -10.998 3.031 1.00 0.00 O ATOM 0 H ASP A 13 7.164 -11.225 1.357 1.00 0.00 H new ATOM 0 HA ASP A 13 8.122 -8.645 1.935 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.371 -10.546 -0.087 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.185 -9.464 1.025 1.00 0.00 H new ATOM 181 N SER A 14 7.238 -9.201 -1.206 1.00 0.00 N ATOM 182 CA SER A 14 6.962 -8.540 -2.472 1.00 0.00 C ATOM 183 C SER A 14 5.903 -7.455 -2.295 1.00 0.00 C ATOM 184 O SER A 14 5.987 -6.386 -2.900 1.00 0.00 O ATOM 185 CB SER A 14 6.510 -9.561 -3.498 1.00 0.00 C ATOM 186 OG SER A 14 5.342 -10.219 -3.027 1.00 0.00 O ATOM 0 H SER A 14 6.992 -10.191 -1.182 1.00 0.00 H new ATOM 0 HA SER A 14 7.877 -8.064 -2.825 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.305 -9.070 -4.450 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.302 -10.288 -3.678 1.00 0.00 H new ATOM 0 HG SER A 14 5.294 -10.142 -2.051 1.00 0.00 H new ATOM 192 N LEU A 15 4.910 -7.732 -1.466 1.00 0.00 N ATOM 193 CA LEU A 15 3.862 -6.750 -1.207 1.00 0.00 C ATOM 194 C LEU A 15 4.401 -5.637 -0.346 1.00 0.00 C ATOM 195 O LEU A 15 4.555 -4.510 -0.801 1.00 0.00 O ATOM 196 CB LEU A 15 2.670 -7.439 -0.515 1.00 0.00 C ATOM 197 CG LEU A 15 1.807 -8.154 -1.557 1.00 0.00 C ATOM 198 CD1 LEU A 15 2.674 -8.797 -2.640 1.00 0.00 C ATOM 199 CD2 LEU A 15 1.001 -9.257 -0.853 1.00 0.00 C ATOM 0 H LEU A 15 4.805 -8.615 -0.966 1.00 0.00 H new ATOM 0 HA LEU A 15 3.524 -6.323 -2.151 1.00 0.00 H new ATOM 0 HB2 LEU A 15 3.031 -8.154 0.224 1.00 0.00 H new ATOM 0 HB3 LEU A 15 2.073 -6.701 0.021 1.00 0.00 H new ATOM 0 HG LEU A 15 1.147 -7.424 -2.026 1.00 0.00 H new ATOM 0 HD11 LEU A 15 2.035 -9.298 -3.367 1.00 0.00 H new ATOM 0 HD12 LEU A 15 3.260 -8.027 -3.142 1.00 0.00 H new ATOM 0 HD13 LEU A 15 3.345 -9.525 -2.184 1.00 0.00 H new ATOM 0 HD21 LEU A 15 0.380 -9.776 -1.583 1.00 0.00 H new ATOM 0 HD22 LEU A 15 1.685 -9.967 -0.388 1.00 0.00 H new ATOM 0 HD23 LEU A 15 0.365 -8.811 -0.088 1.00 0.00 H new ATOM 211 N ARG A 16 4.675 -5.943 0.905 1.00 0.00 N ATOM 212 CA ARG A 16 5.166 -4.927 1.829 1.00 0.00 C ATOM 213 C ARG A 16 6.067 -3.924 1.103 1.00 0.00 C ATOM 214 O ARG A 16 5.852 -2.704 1.180 1.00 0.00 O ATOM 215 CB ARG A 16 5.956 -5.608 2.945 1.00 0.00 C ATOM 216 CG ARG A 16 6.611 -4.535 3.850 1.00 0.00 C ATOM 217 CD ARG A 16 8.086 -4.357 3.471 1.00 0.00 C ATOM 218 NE ARG A 16 8.746 -3.495 4.433 1.00 0.00 N ATOM 219 CZ ARG A 16 9.188 -3.972 5.590 1.00 0.00 C ATOM 220 NH1 ARG A 16 9.026 -5.236 5.879 1.00 0.00 N ATOM 221 NH2 ARG A 16 9.782 -3.179 6.435 1.00 0.00 N ATOM 0 H ARG A 16 4.570 -6.874 1.308 1.00 0.00 H new ATOM 0 HA ARG A 16 4.315 -4.388 2.246 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.296 -6.243 3.536 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.722 -6.255 2.519 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.083 -3.587 3.744 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.529 -4.831 4.896 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.582 -5.327 3.440 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.164 -3.927 2.472 1.00 0.00 H new ATOM 0 HE ARG A 16 8.872 -2.506 4.217 1.00 0.00 H new ATOM 0 HH11 ARG A 16 8.560 -5.855 5.216 1.00 0.00 H new ATOM 0 HH12 ARG A 16 9.365 -5.603 6.768 1.00 0.00 H new ATOM 0 HH21 ARG A 16 9.907 -2.193 6.207 1.00 0.00 H new ATOM 0 HH22 ARG A 16 10.122 -3.544 7.325 1.00 0.00 H new ATOM 235 N VAL A 17 7.061 -4.448 0.387 1.00 0.00 N ATOM 236 CA VAL A 17 7.982 -3.600 -0.357 1.00 0.00 C ATOM 237 C VAL A 17 7.230 -2.793 -1.409 1.00 0.00 C ATOM 238 O VAL A 17 7.556 -1.638 -1.660 1.00 0.00 O ATOM 239 CB VAL A 17 9.058 -4.457 -1.035 1.00 0.00 C ATOM 240 CG1 VAL A 17 9.749 -5.354 0.019 1.00 0.00 C ATOM 241 CG2 VAL A 17 8.406 -5.325 -2.095 1.00 0.00 C ATOM 0 H VAL A 17 7.246 -5.448 0.308 1.00 0.00 H new ATOM 0 HA VAL A 17 8.459 -2.912 0.342 1.00 0.00 H new ATOM 0 HB VAL A 17 9.804 -3.811 -1.498 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.513 -5.962 -0.465 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.213 -4.728 0.782 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.009 -6.005 0.484 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.165 -5.937 -2.581 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.662 -5.971 -1.629 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.921 -4.691 -2.837 1.00 0.00 H new ATOM 251 N TRP A 18 6.229 -3.413 -2.025 1.00 0.00 N ATOM 252 CA TRP A 18 5.448 -2.730 -3.045 1.00 0.00 C ATOM 253 C TRP A 18 4.783 -1.485 -2.467 1.00 0.00 C ATOM 254 O TRP A 18 4.881 -0.405 -3.031 1.00 0.00 O ATOM 255 CB TRP A 18 4.370 -3.689 -3.607 1.00 0.00 C ATOM 256 CG TRP A 18 2.995 -3.230 -3.201 1.00 0.00 C ATOM 257 CD1 TRP A 18 2.287 -3.678 -2.135 1.00 0.00 C ATOM 258 CD2 TRP A 18 2.173 -2.206 -3.812 1.00 0.00 C ATOM 259 NE1 TRP A 18 1.105 -3.017 -2.063 1.00 0.00 N ATOM 260 CE2 TRP A 18 0.976 -2.097 -3.069 1.00 0.00 C ATOM 261 CE3 TRP A 18 2.335 -1.364 -4.932 1.00 0.00 C ATOM 262 CZ2 TRP A 18 -0.016 -1.196 -3.420 1.00 0.00 C ATOM 263 CZ3 TRP A 18 1.336 -0.458 -5.284 1.00 0.00 C ATOM 264 CH2 TRP A 18 0.163 -0.379 -4.524 1.00 0.00 C ATOM 0 H TRP A 18 5.943 -4.374 -1.838 1.00 0.00 H new ATOM 0 HA TRP A 18 6.116 -2.424 -3.850 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.441 -3.729 -4.694 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.546 -4.700 -3.239 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.614 -4.444 -1.448 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.398 -3.185 -1.347 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.239 -1.422 -5.520 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.923 -1.131 -2.837 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.467 0.183 -6.143 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -0.608 0.324 -4.801 1.00 0.00 H new ATOM 275 N LEU A 19 4.094 -1.654 -1.347 1.00 0.00 N ATOM 276 CA LEU A 19 3.396 -0.537 -0.727 1.00 0.00 C ATOM 277 C LEU A 19 4.345 0.622 -0.483 1.00 0.00 C ATOM 278 O LEU A 19 4.138 1.718 -1.020 1.00 0.00 O ATOM 279 CB LEU A 19 2.785 -1.002 0.615 1.00 0.00 C ATOM 280 CG LEU A 19 1.254 -1.170 0.489 1.00 0.00 C ATOM 281 CD1 LEU A 19 0.807 -2.425 1.213 1.00 0.00 C ATOM 282 CD2 LEU A 19 0.565 0.062 1.086 1.00 0.00 C ATOM 0 H LEU A 19 4.004 -2.542 -0.854 1.00 0.00 H new ATOM 0 HA LEU A 19 2.606 -0.198 -1.398 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.236 -1.947 0.917 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.013 -0.276 1.395 1.00 0.00 H new ATOM 0 HG LEU A 19 0.981 -1.264 -0.562 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.273 -2.534 1.118 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.299 -3.293 0.774 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.073 -2.351 2.267 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.516 -0.049 1.001 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.838 0.158 2.137 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.882 0.954 0.545 1.00 0.00 H new ATOM 294 N VAL A 20 5.364 0.376 0.325 1.00 0.00 N ATOM 295 CA VAL A 20 6.323 1.430 0.637 1.00 0.00 C ATOM 296 C VAL A 20 6.930 1.990 -0.644 1.00 0.00 C ATOM 297 O VAL A 20 6.977 3.206 -0.839 1.00 0.00 O ATOM 298 CB VAL A 20 7.430 0.869 1.532 1.00 0.00 C ATOM 299 CG1 VAL A 20 8.031 -0.382 0.882 1.00 0.00 C ATOM 300 CG2 VAL A 20 8.527 1.925 1.718 1.00 0.00 C ATOM 0 H VAL A 20 5.549 -0.523 0.770 1.00 0.00 H new ATOM 0 HA VAL A 20 5.806 2.234 1.160 1.00 0.00 H new ATOM 0 HB VAL A 20 7.010 0.608 2.503 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.819 -0.781 1.520 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.253 -1.135 0.753 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.449 -0.122 -0.091 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.314 1.523 2.356 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.946 2.189 0.747 1.00 0.00 H new ATOM 0 HG23 VAL A 20 8.101 2.814 2.184 1.00 0.00 H new ATOM 310 N ASP A 21 7.407 1.100 -1.508 1.00 0.00 N ATOM 311 CA ASP A 21 8.026 1.526 -2.753 1.00 0.00 C ATOM 312 C ASP A 21 7.049 2.363 -3.568 1.00 0.00 C ATOM 313 O ASP A 21 7.442 3.319 -4.241 1.00 0.00 O ATOM 314 CB ASP A 21 8.448 0.297 -3.564 1.00 0.00 C ATOM 315 CG ASP A 21 9.674 -0.353 -2.938 1.00 0.00 C ATOM 316 OD1 ASP A 21 10.235 0.238 -2.034 1.00 0.00 O ATOM 317 OD2 ASP A 21 10.035 -1.434 -3.376 1.00 0.00 O ATOM 0 H ASP A 21 7.377 0.090 -1.369 1.00 0.00 H new ATOM 0 HA ASP A 21 8.903 2.131 -2.522 1.00 0.00 H new ATOM 0 HB2 ASP A 21 7.628 -0.420 -3.604 1.00 0.00 H new ATOM 0 HB3 ASP A 21 8.667 0.588 -4.591 1.00 0.00 H new ATOM 322 N CYS A 22 5.770 2.007 -3.497 1.00 0.00 N ATOM 323 CA CYS A 22 4.747 2.740 -4.229 1.00 0.00 C ATOM 324 C CYS A 22 4.728 4.203 -3.800 1.00 0.00 C ATOM 325 O CYS A 22 4.763 5.107 -4.637 1.00 0.00 O ATOM 326 CB CYS A 22 3.369 2.119 -3.974 1.00 0.00 C ATOM 327 SG CYS A 22 2.239 2.604 -5.297 1.00 0.00 S ATOM 0 H CYS A 22 5.421 1.223 -2.945 1.00 0.00 H new ATOM 0 HA CYS A 22 4.981 2.683 -5.292 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.450 1.033 -3.930 1.00 0.00 H new ATOM 0 HB3 CYS A 22 2.982 2.449 -3.010 1.00 0.00 H new ATOM 0 HG CYS A 22 2.327 3.886 -5.495 1.00 0.00 H new ATOM 333 N VAL A 23 4.667 4.428 -2.491 1.00 0.00 N ATOM 334 CA VAL A 23 4.636 5.792 -1.976 1.00 0.00 C ATOM 335 C VAL A 23 5.913 6.536 -2.373 1.00 0.00 C ATOM 336 O VAL A 23 5.856 7.654 -2.883 1.00 0.00 O ATOM 337 CB VAL A 23 4.521 5.768 -0.455 1.00 0.00 C ATOM 338 CG1 VAL A 23 4.293 7.196 0.082 1.00 0.00 C ATOM 339 CG2 VAL A 23 3.351 4.875 -0.038 1.00 0.00 C ATOM 0 H VAL A 23 4.639 3.698 -1.779 1.00 0.00 H new ATOM 0 HA VAL A 23 3.774 6.306 -2.401 1.00 0.00 H new ATOM 0 HB VAL A 23 5.447 5.372 -0.039 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.212 7.168 1.169 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.132 7.830 -0.203 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.373 7.601 -0.340 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.273 4.861 1.049 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.426 5.265 -0.463 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.519 3.862 -0.403 1.00 0.00 H new ATOM 349 N ALA A 24 7.064 5.911 -2.135 1.00 0.00 N ATOM 350 CA ALA A 24 8.341 6.529 -2.473 1.00 0.00 C ATOM 351 C ALA A 24 8.296 7.083 -3.887 1.00 0.00 C ATOM 352 O ALA A 24 8.607 8.241 -4.115 1.00 0.00 O ATOM 353 CB ALA A 24 9.461 5.499 -2.360 1.00 0.00 C ATOM 0 H ALA A 24 7.138 4.985 -1.713 1.00 0.00 H new ATOM 0 HA ALA A 24 8.532 7.346 -1.777 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.412 5.967 -2.614 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.504 5.119 -1.339 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.268 4.674 -3.046 1.00 0.00 H new ATOM 359 N GLY A 25 7.911 6.245 -4.838 1.00 0.00 N ATOM 360 CA GLY A 25 7.829 6.675 -6.229 1.00 0.00 C ATOM 361 C GLY A 25 6.815 7.804 -6.392 1.00 0.00 C ATOM 362 O GLY A 25 7.078 8.789 -7.081 1.00 0.00 O ATOM 0 H GLY A 25 7.652 5.272 -4.676 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.809 7.010 -6.569 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.544 5.832 -6.858 1.00 0.00 H new ATOM 366 N HIS A 26 5.653 7.648 -5.761 1.00 0.00 N ATOM 367 CA HIS A 26 4.606 8.655 -5.863 1.00 0.00 C ATOM 368 C HIS A 26 5.130 10.031 -5.453 1.00 0.00 C ATOM 369 O HIS A 26 5.041 10.984 -6.226 1.00 0.00 O ATOM 370 CB HIS A 26 3.435 8.281 -4.951 1.00 0.00 C ATOM 371 CG HIS A 26 2.718 7.091 -5.518 1.00 0.00 C ATOM 372 ND1 HIS A 26 2.666 6.841 -6.879 1.00 0.00 N ATOM 373 CD2 HIS A 26 2.014 6.074 -4.922 1.00 0.00 C ATOM 374 CE1 HIS A 26 1.953 5.714 -7.058 1.00 0.00 C ATOM 375 NE2 HIS A 26 1.531 5.206 -5.897 1.00 0.00 N ATOM 0 H HIS A 26 5.417 6.843 -5.181 1.00 0.00 H new ATOM 0 HA HIS A 26 4.276 8.695 -6.901 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.799 8.056 -3.948 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.749 9.123 -4.859 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.859 5.964 -3.859 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.747 5.274 -8.023 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.974 4.363 -5.755 1.00 0.00 H new ATOM 384 N LEU A 27 5.683 10.125 -4.243 1.00 0.00 N ATOM 385 CA LEU A 27 6.211 11.399 -3.765 1.00 0.00 C ATOM 386 C LEU A 27 7.623 11.632 -4.284 1.00 0.00 C ATOM 387 O LEU A 27 8.000 12.759 -4.599 1.00 0.00 O ATOM 388 CB LEU A 27 6.218 11.399 -2.235 1.00 0.00 C ATOM 389 CG LEU A 27 4.817 11.057 -1.718 1.00 0.00 C ATOM 390 CD1 LEU A 27 4.832 11.018 -0.186 1.00 0.00 C ATOM 391 CD2 LEU A 27 3.818 12.125 -2.191 1.00 0.00 C ATOM 0 H LEU A 27 5.775 9.349 -3.588 1.00 0.00 H new ATOM 0 HA LEU A 27 5.574 12.203 -4.135 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.941 10.673 -1.864 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.527 12.376 -1.862 1.00 0.00 H new ATOM 0 HG LEU A 27 4.518 10.083 -2.105 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.835 10.775 0.182 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.538 10.260 0.152 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.133 11.992 0.200 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.822 11.880 -1.822 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.118 13.100 -1.806 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.805 12.154 -3.281 1.00 0.00 H new ATOM 403 N GLY A 28 8.395 10.565 -4.380 1.00 0.00 N ATOM 404 CA GLY A 28 9.775 10.646 -4.862 1.00 0.00 C ATOM 405 C GLY A 28 10.771 10.674 -3.706 1.00 0.00 C ATOM 406 O GLY A 28 11.983 10.649 -3.923 1.00 0.00 O ATOM 0 H GLY A 28 8.093 9.623 -4.130 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.987 9.792 -5.506 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.897 11.542 -5.470 1.00 0.00 H new ATOM 410 N LEU A 29 10.257 10.711 -2.483 1.00 0.00 N ATOM 411 CA LEU A 29 11.115 10.750 -1.300 1.00 0.00 C ATOM 412 C LEU A 29 11.835 9.417 -1.140 1.00 0.00 C ATOM 413 O LEU A 29 11.709 8.531 -1.983 1.00 0.00 O ATOM 414 CB LEU A 29 10.277 11.031 -0.053 1.00 0.00 C ATOM 415 CG LEU A 29 9.372 12.242 -0.305 1.00 0.00 C ATOM 416 CD1 LEU A 29 8.513 12.501 0.934 1.00 0.00 C ATOM 417 CD2 LEU A 29 10.231 13.477 -0.600 1.00 0.00 C ATOM 0 H LEU A 29 9.257 10.715 -2.282 1.00 0.00 H new ATOM 0 HA LEU A 29 11.850 11.546 -1.424 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.673 10.158 0.196 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.928 11.222 0.800 1.00 0.00 H new ATOM 0 HG LEU A 29 8.727 12.040 -1.160 1.00 0.00 H new ATOM 0 HD11 LEU A 29 7.869 13.362 0.757 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.899 11.625 1.141 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.159 12.701 1.789 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.584 14.336 -0.779 1.00 0.00 H new ATOM 0 HD22 LEU A 29 10.879 13.682 0.252 1.00 0.00 H new ATOM 0 HD23 LEU A 29 10.842 13.293 -1.484 1.00 0.00 H new ATOM 429 N ASP A 30 12.600 9.290 -0.063 1.00 0.00 N ATOM 430 CA ASP A 30 13.345 8.060 0.189 1.00 0.00 C ATOM 431 C ASP A 30 12.442 7.007 0.818 1.00 0.00 C ATOM 432 O ASP A 30 11.760 7.266 1.804 1.00 0.00 O ATOM 433 CB ASP A 30 14.528 8.353 1.118 1.00 0.00 C ATOM 434 CG ASP A 30 15.662 9.011 0.337 1.00 0.00 C ATOM 435 OD1 ASP A 30 15.550 9.102 -0.873 1.00 0.00 O ATOM 436 OD2 ASP A 30 16.626 9.415 0.963 1.00 0.00 O ATOM 0 H ASP A 30 12.721 10.015 0.644 1.00 0.00 H new ATOM 0 HA ASP A 30 13.717 7.676 -0.761 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.209 9.007 1.930 1.00 0.00 H new ATOM 0 HB3 ASP A 30 14.880 7.427 1.574 1.00 0.00 H new ATOM 441 N ALA A 31 12.458 5.805 0.239 1.00 0.00 N ATOM 442 CA ALA A 31 11.645 4.710 0.748 1.00 0.00 C ATOM 443 C ALA A 31 12.022 4.365 2.186 1.00 0.00 C ATOM 444 O ALA A 31 11.157 4.023 3.000 1.00 0.00 O ATOM 445 CB ALA A 31 11.814 3.476 -0.129 1.00 0.00 C ATOM 0 H ALA A 31 13.023 5.570 -0.577 1.00 0.00 H new ATOM 0 HA ALA A 31 10.604 5.033 0.729 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.201 2.664 0.263 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.502 3.708 -1.147 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.861 3.171 -0.131 1.00 0.00 H new ATOM 451 N ALA A 32 13.309 4.469 2.489 1.00 0.00 N ATOM 452 CA ALA A 32 13.798 4.145 3.824 1.00 0.00 C ATOM 453 C ALA A 32 13.262 5.122 4.861 1.00 0.00 C ATOM 454 O ALA A 32 13.397 4.892 6.063 1.00 0.00 O ATOM 455 CB ALA A 32 15.326 4.169 3.836 1.00 0.00 C ATOM 0 H ALA A 32 14.030 4.773 1.834 1.00 0.00 H new ATOM 0 HA ALA A 32 13.444 3.147 4.081 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.686 3.926 4.836 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.707 3.436 3.125 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.677 5.162 3.555 1.00 0.00 H new ATOM 461 N THR A 33 12.664 6.210 4.393 1.00 0.00 N ATOM 462 CA THR A 33 12.116 7.222 5.291 1.00 0.00 C ATOM 463 C THR A 33 10.765 7.703 4.791 1.00 0.00 C ATOM 464 O THR A 33 10.409 8.877 4.936 1.00 0.00 O ATOM 465 CB THR A 33 13.093 8.401 5.398 1.00 0.00 C ATOM 466 OG1 THR A 33 13.738 8.585 4.149 1.00 0.00 O ATOM 467 CG2 THR A 33 14.142 8.109 6.475 1.00 0.00 C ATOM 0 H THR A 33 12.546 6.415 3.401 1.00 0.00 H new ATOM 0 HA THR A 33 11.978 6.780 6.278 1.00 0.00 H new ATOM 0 HB THR A 33 12.545 9.304 5.668 1.00 0.00 H new ATOM 0 HG1 THR A 33 14.362 9.338 4.211 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.833 8.949 6.547 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.647 7.963 7.435 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.694 7.207 6.210 1.00 0.00 H new ATOM 475 N ILE A 34 10.000 6.794 4.206 1.00 0.00 N ATOM 476 CA ILE A 34 8.688 7.161 3.718 1.00 0.00 C ATOM 477 C ILE A 34 7.717 7.359 4.881 1.00 0.00 C ATOM 478 O ILE A 34 7.326 8.488 5.179 1.00 0.00 O ATOM 479 CB ILE A 34 8.162 6.067 2.761 1.00 0.00 C ATOM 480 CG1 ILE A 34 8.525 6.435 1.319 1.00 0.00 C ATOM 481 CG2 ILE A 34 6.634 5.922 2.859 1.00 0.00 C ATOM 482 CD1 ILE A 34 7.653 7.600 0.825 1.00 0.00 C ATOM 0 H ILE A 34 10.261 5.819 4.061 1.00 0.00 H new ATOM 0 HA ILE A 34 8.766 8.103 3.175 1.00 0.00 H new ATOM 0 HB ILE A 34 8.623 5.122 3.047 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.578 6.711 1.262 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.387 5.570 0.671 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.298 5.145 2.173 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.359 5.651 3.878 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.161 6.868 2.595 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.925 7.848 -0.201 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.603 7.310 0.862 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.812 8.470 1.463 1.00 0.00 H new ATOM 494 N ALA A 35 7.307 6.253 5.488 1.00 0.00 N ATOM 495 CA ALA A 35 6.353 6.299 6.583 1.00 0.00 C ATOM 496 C ALA A 35 5.787 4.910 6.858 1.00 0.00 C ATOM 497 O ALA A 35 4.718 4.791 7.437 1.00 0.00 O ATOM 498 CB ALA A 35 5.203 7.274 6.253 1.00 0.00 C ATOM 0 H ALA A 35 7.621 5.315 5.239 1.00 0.00 H new ATOM 0 HA ALA A 35 6.873 6.651 7.474 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.497 7.298 7.083 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.608 8.273 6.093 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.691 6.941 5.350 1.00 0.00 H new ATOM 504 N THR A 36 6.490 3.874 6.412 1.00 0.00 N ATOM 505 CA THR A 36 6.024 2.502 6.613 1.00 0.00 C ATOM 506 C THR A 36 5.346 2.360 7.977 1.00 0.00 C ATOM 507 O THR A 36 4.352 1.646 8.096 1.00 0.00 O ATOM 508 CB THR A 36 7.213 1.546 6.550 1.00 0.00 C ATOM 509 OG1 THR A 36 7.894 1.561 7.803 1.00 0.00 O ATOM 510 CG2 THR A 36 8.176 1.998 5.451 1.00 0.00 C ATOM 0 H THR A 36 7.376 3.954 5.913 1.00 0.00 H new ATOM 0 HA THR A 36 5.305 2.261 5.830 1.00 0.00 H new ATOM 0 HB THR A 36 6.858 0.539 6.332 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.657 0.947 7.768 1.00 0.00 H new ATOM 0 HG21 THR A 36 9.024 1.315 5.407 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.659 1.997 4.491 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.532 3.005 5.670 1.00 0.00 H new ATOM 518 N ASP A 37 5.873 3.055 8.978 1.00 0.00 N ATOM 519 CA ASP A 37 5.292 3.004 10.321 1.00 0.00 C ATOM 520 C ASP A 37 4.348 4.175 10.539 1.00 0.00 C ATOM 521 O ASP A 37 3.489 4.133 11.422 1.00 0.00 O ATOM 522 CB ASP A 37 6.409 3.042 11.356 1.00 0.00 C ATOM 523 CG ASP A 37 7.338 4.226 11.086 1.00 0.00 C ATOM 524 OD1 ASP A 37 7.499 4.578 9.932 1.00 0.00 O ATOM 525 OD2 ASP A 37 7.876 4.760 12.043 1.00 0.00 O ATOM 0 H ASP A 37 6.693 3.656 8.891 1.00 0.00 H new ATOM 0 HA ASP A 37 4.725 2.079 10.426 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.985 3.124 12.357 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.975 2.111 11.325 1.00 0.00 H new ATOM 530 N LEU A 38 4.503 5.225 9.738 1.00 0.00 N ATOM 531 CA LEU A 38 3.660 6.405 9.867 1.00 0.00 C ATOM 532 C LEU A 38 2.508 6.362 8.861 1.00 0.00 C ATOM 533 O LEU A 38 2.621 5.756 7.796 1.00 0.00 O ATOM 534 CB LEU A 38 4.495 7.678 9.637 1.00 0.00 C ATOM 535 CG LEU A 38 5.252 8.038 10.924 1.00 0.00 C ATOM 536 CD1 LEU A 38 6.503 8.838 10.572 1.00 0.00 C ATOM 537 CD2 LEU A 38 4.353 8.873 11.839 1.00 0.00 C ATOM 0 H LEU A 38 5.201 5.281 8.997 1.00 0.00 H new ATOM 0 HA LEU A 38 3.245 6.418 10.875 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.200 7.520 8.821 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.846 8.502 9.342 1.00 0.00 H new ATOM 0 HG LEU A 38 5.538 7.122 11.440 1.00 0.00 H new ATOM 0 HD11 LEU A 38 7.040 9.094 11.485 1.00 0.00 H new ATOM 0 HD12 LEU A 38 7.147 8.241 9.927 1.00 0.00 H new ATOM 0 HD13 LEU A 38 6.216 9.752 10.052 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.895 9.125 12.750 1.00 0.00 H new ATOM 0 HD22 LEU A 38 4.061 9.789 11.325 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.461 8.300 12.094 1.00 0.00 H new ATOM 549 N PRO A 39 1.415 7.003 9.172 1.00 0.00 N ATOM 550 CA PRO A 39 0.233 7.057 8.270 1.00 0.00 C ATOM 551 C PRO A 39 0.523 7.852 7.000 1.00 0.00 C ATOM 552 O PRO A 39 1.603 8.418 6.834 1.00 0.00 O ATOM 553 CB PRO A 39 -0.845 7.747 9.127 1.00 0.00 C ATOM 554 CG PRO A 39 -0.089 8.528 10.156 1.00 0.00 C ATOM 555 CD PRO A 39 1.181 7.738 10.426 1.00 0.00 C ATOM 0 HA PRO A 39 -0.068 6.070 7.920 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.472 8.400 8.520 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.504 7.015 9.594 1.00 0.00 H new ATOM 0 HG2 PRO A 39 0.143 9.530 9.794 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -0.677 8.647 11.066 1.00 0.00 H new ATOM 0 HD2 PRO A 39 2.017 8.395 10.666 1.00 0.00 H new ATOM 0 HD3 PRO A 39 1.057 7.059 11.270 1.00 0.00 H new ATOM 563 N LEU A 40 -0.457 7.902 6.112 1.00 0.00 N ATOM 564 CA LEU A 40 -0.315 8.644 4.870 1.00 0.00 C ATOM 565 C LEU A 40 -0.412 10.146 5.111 1.00 0.00 C ATOM 566 O LEU A 40 0.103 10.950 4.332 1.00 0.00 O ATOM 567 CB LEU A 40 -1.394 8.210 3.868 1.00 0.00 C ATOM 568 CG LEU A 40 -2.770 8.744 4.305 1.00 0.00 C ATOM 569 CD1 LEU A 40 -3.805 8.456 3.222 1.00 0.00 C ATOM 570 CD2 LEU A 40 -3.184 8.071 5.618 1.00 0.00 C ATOM 0 H LEU A 40 -1.358 7.438 6.228 1.00 0.00 H new ATOM 0 HA LEU A 40 0.671 8.425 4.460 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.149 8.584 2.874 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.422 7.122 3.801 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.709 9.822 4.456 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.777 8.836 3.537 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.507 8.945 2.295 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.872 7.380 3.059 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.158 8.448 5.929 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -3.242 6.992 5.471 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -2.446 8.293 6.389 1.00 0.00 H new ATOM 582 N THR A 41 -1.096 10.518 6.190 1.00 0.00 N ATOM 583 CA THR A 41 -1.280 11.923 6.518 1.00 0.00 C ATOM 584 C THR A 41 0.061 12.643 6.521 1.00 0.00 C ATOM 585 O THR A 41 0.130 13.810 6.166 1.00 0.00 O ATOM 586 CB THR A 41 -1.938 12.060 7.892 1.00 0.00 C ATOM 587 OG1 THR A 41 -1.254 11.234 8.823 1.00 0.00 O ATOM 588 CG2 THR A 41 -3.404 11.638 7.806 1.00 0.00 C ATOM 0 H THR A 41 -1.528 9.868 6.847 1.00 0.00 H new ATOM 0 HA THR A 41 -1.925 12.374 5.764 1.00 0.00 H new ATOM 0 HB THR A 41 -1.886 13.098 8.220 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.672 11.320 9.705 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.869 11.737 8.787 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.925 12.275 7.091 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.465 10.600 7.478 1.00 0.00 H new ATOM 596 N SER A 42 1.107 11.945 6.948 1.00 0.00 N ATOM 597 CA SER A 42 2.438 12.537 7.000 1.00 0.00 C ATOM 598 C SER A 42 2.741 13.293 5.707 1.00 0.00 C ATOM 599 O SER A 42 3.414 14.321 5.730 1.00 0.00 O ATOM 600 CB SER A 42 3.484 11.440 7.204 1.00 0.00 C ATOM 601 OG SER A 42 4.770 11.962 6.906 1.00 0.00 O ATOM 0 H SER A 42 1.060 10.975 7.261 1.00 0.00 H new ATOM 0 HA SER A 42 2.472 13.238 7.834 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.454 11.079 8.232 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.266 10.588 6.560 1.00 0.00 H new ATOM 0 HG SER A 42 5.445 11.263 7.037 1.00 0.00 H new ATOM 607 N TYR A 43 2.236 12.782 4.592 1.00 0.00 N ATOM 608 CA TYR A 43 2.464 13.422 3.299 1.00 0.00 C ATOM 609 C TYR A 43 1.680 14.721 3.193 1.00 0.00 C ATOM 610 O TYR A 43 1.894 15.507 2.272 1.00 0.00 O ATOM 611 CB TYR A 43 2.045 12.471 2.176 1.00 0.00 C ATOM 612 CG TYR A 43 2.542 11.074 2.469 1.00 0.00 C ATOM 613 CD1 TYR A 43 3.832 10.875 2.984 1.00 0.00 C ATOM 614 CD2 TYR A 43 1.713 9.972 2.224 1.00 0.00 C ATOM 615 CE1 TYR A 43 4.287 9.590 3.252 1.00 0.00 C ATOM 616 CE2 TYR A 43 2.180 8.681 2.496 1.00 0.00 C ATOM 617 CZ TYR A 43 3.459 8.490 3.009 1.00 0.00 C ATOM 618 OH TYR A 43 3.905 7.215 3.275 1.00 0.00 O ATOM 0 H TYR A 43 1.670 11.934 4.554 1.00 0.00 H new ATOM 0 HA TYR A 43 3.525 13.653 3.207 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.959 12.467 2.078 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.449 12.818 1.225 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.473 11.723 3.173 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.719 10.118 1.827 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.281 9.441 3.648 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.544 7.829 2.307 1.00 0.00 H new ATOM 0 HH TYR A 43 3.273 6.564 2.905 1.00 0.00 H new ATOM 628 N GLY A 44 0.789 14.950 4.142 1.00 0.00 N ATOM 629 CA GLY A 44 -0.007 16.168 4.154 1.00 0.00 C ATOM 630 C GLY A 44 -0.885 16.244 2.912 1.00 0.00 C ATOM 631 O GLY A 44 -1.282 17.324 2.486 1.00 0.00 O ATOM 0 H GLY A 44 0.598 14.311 4.913 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.629 16.194 5.049 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.649 17.038 4.197 1.00 0.00 H new ATOM 635 N LEU A 45 -1.175 15.090 2.328 1.00 0.00 N ATOM 636 CA LEU A 45 -2.002 15.041 1.131 1.00 0.00 C ATOM 637 C LEU A 45 -3.454 15.425 1.439 1.00 0.00 C ATOM 638 O LEU A 45 -4.024 15.019 2.448 1.00 0.00 O ATOM 639 CB LEU A 45 -1.956 13.628 0.532 1.00 0.00 C ATOM 640 CG LEU A 45 -2.823 12.663 1.361 1.00 0.00 C ATOM 641 CD1 LEU A 45 -2.773 11.270 0.758 1.00 0.00 C ATOM 642 CD2 LEU A 45 -2.292 12.618 2.798 1.00 0.00 C ATOM 0 H LEU A 45 -0.853 14.181 2.661 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.607 15.761 0.414 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.311 13.652 -0.498 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.927 13.271 0.506 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.855 13.013 1.359 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.389 10.594 1.351 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.150 11.302 -0.264 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.743 10.912 0.753 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.902 11.936 3.390 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.259 12.270 2.793 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.337 13.616 3.234 1.00 0.00 H new ATOM 654 N ASP A 46 -4.052 16.201 0.556 1.00 0.00 N ATOM 655 CA ASP A 46 -5.438 16.611 0.742 1.00 0.00 C ATOM 656 C ASP A 46 -6.368 15.400 0.649 1.00 0.00 C ATOM 657 O ASP A 46 -5.921 14.283 0.383 1.00 0.00 O ATOM 658 CB ASP A 46 -5.826 17.633 -0.323 1.00 0.00 C ATOM 659 CG ASP A 46 -5.061 18.931 -0.095 1.00 0.00 C ATOM 660 OD1 ASP A 46 -4.528 19.099 0.991 1.00 0.00 O ATOM 661 OD2 ASP A 46 -5.017 19.738 -1.008 1.00 0.00 O ATOM 0 H ASP A 46 -3.609 16.559 -0.290 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.537 17.061 1.730 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.605 17.240 -1.315 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.899 17.821 -0.286 1.00 0.00 H new ATOM 666 N SER A 47 -7.657 15.631 0.873 1.00 0.00 N ATOM 667 CA SER A 47 -8.641 14.554 0.810 1.00 0.00 C ATOM 668 C SER A 47 -8.841 14.089 -0.629 1.00 0.00 C ATOM 669 O SER A 47 -9.043 12.902 -0.886 1.00 0.00 O ATOM 670 CB SER A 47 -9.971 15.031 1.388 1.00 0.00 C ATOM 671 OG SER A 47 -10.896 13.951 1.388 1.00 0.00 O ATOM 0 H SER A 47 -8.044 16.547 1.098 1.00 0.00 H new ATOM 0 HA SER A 47 -8.271 13.714 1.398 1.00 0.00 H new ATOM 0 HB2 SER A 47 -9.828 15.403 2.403 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.361 15.860 0.797 1.00 0.00 H new ATOM 0 HG SER A 47 -11.751 14.253 1.760 1.00 0.00 H new ATOM 677 N VAL A 48 -8.789 15.033 -1.562 1.00 0.00 N ATOM 678 CA VAL A 48 -8.972 14.711 -2.973 1.00 0.00 C ATOM 679 C VAL A 48 -7.827 13.839 -3.474 1.00 0.00 C ATOM 680 O VAL A 48 -7.975 13.093 -4.443 1.00 0.00 O ATOM 681 CB VAL A 48 -9.038 15.998 -3.799 1.00 0.00 C ATOM 682 CG1 VAL A 48 -9.336 15.654 -5.259 1.00 0.00 C ATOM 683 CG2 VAL A 48 -10.149 16.897 -3.252 1.00 0.00 C ATOM 0 H VAL A 48 -8.623 16.021 -1.369 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.907 14.162 -3.084 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.082 16.519 -3.736 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.383 16.571 -5.847 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -8.546 15.012 -5.650 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.291 15.133 -5.322 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -10.197 17.814 -3.839 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -11.104 16.375 -3.315 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -9.938 17.143 -2.211 1.00 0.00 H new ATOM 693 N TYR A 49 -6.684 13.938 -2.810 1.00 0.00 N ATOM 694 CA TYR A 49 -5.524 13.151 -3.201 1.00 0.00 C ATOM 695 C TYR A 49 -5.785 11.662 -2.998 1.00 0.00 C ATOM 696 O TYR A 49 -5.501 10.844 -3.873 1.00 0.00 O ATOM 697 CB TYR A 49 -4.295 13.585 -2.373 1.00 0.00 C ATOM 698 CG TYR A 49 -3.076 13.693 -3.268 1.00 0.00 C ATOM 699 CD1 TYR A 49 -3.088 14.586 -4.348 1.00 0.00 C ATOM 700 CD2 TYR A 49 -1.950 12.901 -3.029 1.00 0.00 C ATOM 701 CE1 TYR A 49 -1.973 14.684 -5.183 1.00 0.00 C ATOM 702 CE2 TYR A 49 -0.838 12.998 -3.859 1.00 0.00 C ATOM 703 CZ TYR A 49 -0.847 13.891 -4.940 1.00 0.00 C ATOM 704 OH TYR A 49 0.253 13.988 -5.764 1.00 0.00 O ATOM 0 H TYR A 49 -6.536 14.549 -2.007 1.00 0.00 H new ATOM 0 HA TYR A 49 -5.330 13.325 -4.259 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.490 14.544 -1.894 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.109 12.863 -1.578 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -3.958 15.198 -4.534 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -1.943 12.212 -2.198 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -1.980 15.372 -6.016 1.00 0.00 H new ATOM 0 HE2 TYR A 49 0.032 12.386 -3.671 1.00 0.00 H new ATOM 0 HH TYR A 49 0.948 13.370 -5.456 1.00 0.00 H new ATOM 714 N ALA A 50 -6.315 11.318 -1.830 1.00 0.00 N ATOM 715 CA ALA A 50 -6.597 9.926 -1.513 1.00 0.00 C ATOM 716 C ALA A 50 -7.387 9.280 -2.640 1.00 0.00 C ATOM 717 O ALA A 50 -7.124 8.144 -3.022 1.00 0.00 O ATOM 718 CB ALA A 50 -7.406 9.838 -0.216 1.00 0.00 C ATOM 0 H ALA A 50 -6.556 11.980 -1.092 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.650 9.400 -1.389 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -7.613 8.793 0.014 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.836 10.283 0.599 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -8.346 10.376 -0.337 1.00 0.00 H new ATOM 724 N LEU A 51 -8.357 10.011 -3.176 1.00 0.00 N ATOM 725 CA LEU A 51 -9.171 9.485 -4.258 1.00 0.00 C ATOM 726 C LEU A 51 -8.305 9.105 -5.458 1.00 0.00 C ATOM 727 O LEU A 51 -8.387 7.983 -5.967 1.00 0.00 O ATOM 728 CB LEU A 51 -10.194 10.543 -4.686 1.00 0.00 C ATOM 729 CG LEU A 51 -10.982 10.037 -5.918 1.00 0.00 C ATOM 730 CD1 LEU A 51 -12.468 10.358 -5.745 1.00 0.00 C ATOM 731 CD2 LEU A 51 -10.457 10.726 -7.186 1.00 0.00 C ATOM 0 H LEU A 51 -8.595 10.958 -2.882 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.683 8.591 -3.902 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.879 10.753 -3.865 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.687 11.478 -4.925 1.00 0.00 H new ATOM 0 HG LEU A 51 -10.851 8.959 -6.009 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.021 10.001 -6.614 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -12.844 9.866 -4.848 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.599 11.436 -5.650 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -11.014 10.368 -8.052 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -10.585 11.805 -7.093 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.399 10.496 -7.314 1.00 0.00 H new ATOM 743 N SER A 52 -7.471 10.041 -5.902 1.00 0.00 N ATOM 744 CA SER A 52 -6.601 9.786 -7.042 1.00 0.00 C ATOM 745 C SER A 52 -5.578 8.704 -6.706 1.00 0.00 C ATOM 746 O SER A 52 -5.372 7.762 -7.474 1.00 0.00 O ATOM 747 CB SER A 52 -5.875 11.073 -7.434 1.00 0.00 C ATOM 748 OG SER A 52 -5.099 10.838 -8.601 1.00 0.00 O ATOM 0 H SER A 52 -7.380 10.972 -5.495 1.00 0.00 H new ATOM 0 HA SER A 52 -7.213 9.442 -7.876 1.00 0.00 H new ATOM 0 HB2 SER A 52 -6.596 11.869 -7.617 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.234 11.405 -6.618 1.00 0.00 H new ATOM 0 HG SER A 52 -5.117 9.883 -8.819 1.00 0.00 H new ATOM 754 N ILE A 53 -4.942 8.844 -5.548 1.00 0.00 N ATOM 755 CA ILE A 53 -3.943 7.873 -5.128 1.00 0.00 C ATOM 756 C ILE A 53 -4.571 6.507 -4.902 1.00 0.00 C ATOM 757 O ILE A 53 -4.127 5.513 -5.469 1.00 0.00 O ATOM 758 CB ILE A 53 -3.270 8.352 -3.837 1.00 0.00 C ATOM 759 CG1 ILE A 53 -2.701 9.765 -4.040 1.00 0.00 C ATOM 760 CG2 ILE A 53 -2.134 7.387 -3.454 1.00 0.00 C ATOM 761 CD1 ILE A 53 -1.311 9.687 -4.688 1.00 0.00 C ATOM 0 H ILE A 53 -5.098 9.610 -4.893 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.199 7.781 -5.919 1.00 0.00 H new ATOM 0 HB ILE A 53 -4.009 8.374 -3.036 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.372 10.348 -4.670 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.635 10.280 -3.082 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.658 7.731 -2.536 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.542 6.388 -3.299 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.396 7.357 -4.256 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -0.917 10.694 -4.827 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.640 9.121 -4.042 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.388 9.191 -5.655 1.00 0.00 H new ATOM 773 N ALA A 54 -5.614 6.470 -4.084 1.00 0.00 N ATOM 774 CA ALA A 54 -6.298 5.221 -3.792 1.00 0.00 C ATOM 775 C ALA A 54 -6.641 4.498 -5.086 1.00 0.00 C ATOM 776 O ALA A 54 -6.504 3.281 -5.176 1.00 0.00 O ATOM 777 CB ALA A 54 -7.580 5.501 -3.007 1.00 0.00 C ATOM 0 H ALA A 54 -6.002 7.287 -3.613 1.00 0.00 H new ATOM 0 HA ALA A 54 -5.639 4.591 -3.194 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -8.087 4.561 -2.792 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.332 6.002 -2.071 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -8.236 6.140 -3.598 1.00 0.00 H new ATOM 783 N ALA A 55 -7.076 5.259 -6.090 1.00 0.00 N ATOM 784 CA ALA A 55 -7.425 4.679 -7.381 1.00 0.00 C ATOM 785 C ALA A 55 -6.189 4.107 -8.063 1.00 0.00 C ATOM 786 O ALA A 55 -6.254 3.089 -8.738 1.00 0.00 O ATOM 787 CB ALA A 55 -8.062 5.739 -8.277 1.00 0.00 C ATOM 0 H ALA A 55 -7.194 6.271 -6.033 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.139 3.872 -7.213 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.319 5.296 -9.239 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -8.965 6.123 -7.802 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.358 6.556 -8.431 1.00 0.00 H new ATOM 793 N GLU A 56 -5.065 4.785 -7.903 1.00 0.00 N ATOM 794 CA GLU A 56 -3.821 4.330 -8.527 1.00 0.00 C ATOM 795 C GLU A 56 -3.297 3.058 -7.860 1.00 0.00 C ATOM 796 O GLU A 56 -2.971 2.072 -8.532 1.00 0.00 O ATOM 797 CB GLU A 56 -2.757 5.439 -8.424 1.00 0.00 C ATOM 798 CG GLU A 56 -2.862 6.375 -9.629 1.00 0.00 C ATOM 799 CD GLU A 56 -4.257 6.986 -9.695 1.00 0.00 C ATOM 800 OE1 GLU A 56 -5.207 6.234 -9.819 1.00 0.00 O ATOM 801 OE2 GLU A 56 -4.352 8.200 -9.615 1.00 0.00 O ATOM 0 H GLU A 56 -4.981 5.641 -7.355 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.028 4.106 -9.573 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -2.895 6.003 -7.501 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -1.762 4.997 -8.381 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -2.114 7.164 -9.553 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -2.653 5.825 -10.546 1.00 0.00 H new ATOM 808 N LEU A 57 -3.224 3.085 -6.535 1.00 0.00 N ATOM 809 CA LEU A 57 -2.720 1.933 -5.794 1.00 0.00 C ATOM 810 C LEU A 57 -3.577 0.707 -6.042 1.00 0.00 C ATOM 811 O LEU A 57 -3.055 -0.385 -6.263 1.00 0.00 O ATOM 812 CB LEU A 57 -2.717 2.257 -4.292 1.00 0.00 C ATOM 813 CG LEU A 57 -1.929 3.546 -4.037 1.00 0.00 C ATOM 814 CD1 LEU A 57 -2.050 3.934 -2.560 1.00 0.00 C ATOM 815 CD2 LEU A 57 -0.456 3.333 -4.383 1.00 0.00 C ATOM 0 H LEU A 57 -3.502 3.878 -5.958 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.707 1.719 -6.135 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.740 2.369 -3.934 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.273 1.433 -3.734 1.00 0.00 H new ATOM 0 HG LEU A 57 -2.335 4.342 -4.662 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -1.490 4.851 -2.378 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -3.099 4.094 -2.311 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -1.648 3.133 -1.939 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.098 4.254 -4.199 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.048 2.534 -3.763 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.365 3.059 -5.434 1.00 0.00 H new ATOM 827 N GLU A 58 -4.886 0.880 -5.989 1.00 0.00 N ATOM 828 CA GLU A 58 -5.794 -0.234 -6.199 1.00 0.00 C ATOM 829 C GLU A 58 -5.835 -0.635 -7.671 1.00 0.00 C ATOM 830 O GLU A 58 -5.871 -1.822 -8.002 1.00 0.00 O ATOM 831 CB GLU A 58 -7.190 0.147 -5.728 1.00 0.00 C ATOM 832 CG GLU A 58 -7.725 1.323 -6.554 1.00 0.00 C ATOM 833 CD GLU A 58 -8.570 0.819 -7.725 1.00 0.00 C ATOM 834 OE1 GLU A 58 -8.371 -0.314 -8.130 1.00 0.00 O ATOM 835 OE2 GLU A 58 -9.414 1.566 -8.186 1.00 0.00 O ATOM 0 H GLU A 58 -5.341 1.774 -5.804 1.00 0.00 H new ATOM 0 HA GLU A 58 -5.434 -1.086 -5.623 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.860 -0.708 -5.823 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -7.165 0.416 -4.672 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -8.325 1.976 -5.920 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.893 1.919 -6.929 1.00 0.00 H new ATOM 842 N ASP A 59 -5.833 0.363 -8.550 1.00 0.00 N ATOM 843 CA ASP A 59 -5.869 0.106 -9.985 1.00 0.00 C ATOM 844 C ASP A 59 -4.716 -0.799 -10.382 1.00 0.00 C ATOM 845 O ASP A 59 -4.803 -1.552 -11.349 1.00 0.00 O ATOM 846 CB ASP A 59 -5.780 1.425 -10.758 1.00 0.00 C ATOM 847 CG ASP A 59 -5.531 1.155 -12.236 1.00 0.00 C ATOM 848 OD1 ASP A 59 -5.909 0.090 -12.691 1.00 0.00 O ATOM 849 OD2 ASP A 59 -4.956 2.013 -12.885 1.00 0.00 O ATOM 0 H ASP A 59 -5.807 1.350 -8.296 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.810 -0.387 -10.228 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -6.704 1.990 -10.635 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -4.975 2.038 -10.353 1.00 0.00 H new ATOM 854 N HIS A 60 -3.633 -0.731 -9.619 1.00 0.00 N ATOM 855 CA HIS A 60 -2.473 -1.569 -9.902 1.00 0.00 C ATOM 856 C HIS A 60 -2.772 -3.023 -9.608 1.00 0.00 C ATOM 857 O HIS A 60 -2.245 -3.925 -10.262 1.00 0.00 O ATOM 858 CB HIS A 60 -1.274 -1.113 -9.028 1.00 0.00 C ATOM 859 CG HIS A 60 -0.477 -0.073 -9.786 1.00 0.00 C ATOM 860 ND1 HIS A 60 0.209 -0.375 -10.954 1.00 0.00 N ATOM 861 CD2 HIS A 60 -0.266 1.265 -9.567 1.00 0.00 C ATOM 862 CE1 HIS A 60 0.796 0.757 -11.385 1.00 0.00 C ATOM 863 NE2 HIS A 60 0.538 1.787 -10.575 1.00 0.00 N ATOM 0 H HIS A 60 -3.532 -0.115 -8.812 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.228 -1.466 -10.959 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.632 -0.699 -8.085 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -0.642 -1.966 -8.782 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -0.665 1.829 -8.736 1.00 0.00 H new ATOM 0 HE1 HIS A 60 1.402 0.824 -12.277 1.00 0.00 H new ATOM 0 HE2 HIS A 60 0.861 2.749 -10.674 1.00 0.00 H new ATOM 872 N LEU A 61 -3.557 -3.259 -8.569 1.00 0.00 N ATOM 873 CA LEU A 61 -3.861 -4.624 -8.129 1.00 0.00 C ATOM 874 C LEU A 61 -5.317 -4.974 -8.387 1.00 0.00 C ATOM 875 O LEU A 61 -5.858 -5.846 -7.723 1.00 0.00 O ATOM 876 CB LEU A 61 -3.551 -4.764 -6.618 1.00 0.00 C ATOM 877 CG LEU A 61 -2.524 -3.707 -6.206 1.00 0.00 C ATOM 878 CD1 LEU A 61 -2.356 -3.720 -4.704 1.00 0.00 C ATOM 879 CD2 LEU A 61 -1.173 -4.000 -6.869 1.00 0.00 C ATOM 0 H LEU A 61 -3.998 -2.528 -8.011 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.239 -5.313 -8.700 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.465 -4.644 -6.036 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.167 -5.762 -6.406 1.00 0.00 H new ATOM 0 HG LEU A 61 -2.877 -2.727 -6.527 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.624 -2.966 -4.413 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.312 -3.500 -4.229 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -2.011 -4.703 -4.385 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.449 -3.242 -6.570 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -0.820 -4.983 -6.557 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -1.288 -3.983 -7.953 1.00 0.00 H new ATOM 891 N ASP A 62 -5.919 -4.318 -9.373 1.00 0.00 N ATOM 892 CA ASP A 62 -7.302 -4.594 -9.735 1.00 0.00 C ATOM 893 C ASP A 62 -8.139 -4.904 -8.502 1.00 0.00 C ATOM 894 O ASP A 62 -8.572 -6.038 -8.317 1.00 0.00 O ATOM 895 CB ASP A 62 -7.353 -5.774 -10.684 1.00 0.00 C ATOM 896 CG ASP A 62 -6.745 -5.383 -12.036 1.00 0.00 C ATOM 897 OD1 ASP A 62 -6.650 -4.195 -12.299 1.00 0.00 O ATOM 898 OD2 ASP A 62 -6.382 -6.275 -12.790 1.00 0.00 O ATOM 0 H ASP A 62 -5.471 -3.593 -9.934 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.712 -3.707 -10.219 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.807 -6.617 -10.260 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -8.385 -6.098 -10.820 1.00 0.00 H new ATOM 903 N VAL A 63 -8.364 -3.896 -7.673 1.00 0.00 N ATOM 904 CA VAL A 63 -9.146 -4.077 -6.450 1.00 0.00 C ATOM 905 C VAL A 63 -9.917 -2.813 -6.119 1.00 0.00 C ATOM 906 O VAL A 63 -9.545 -1.730 -6.532 1.00 0.00 O ATOM 907 CB VAL A 63 -8.208 -4.439 -5.284 1.00 0.00 C ATOM 908 CG1 VAL A 63 -7.889 -5.929 -5.311 1.00 0.00 C ATOM 909 CG2 VAL A 63 -6.901 -3.653 -5.409 1.00 0.00 C ATOM 0 H VAL A 63 -8.020 -2.947 -7.820 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.859 -4.887 -6.606 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.705 -4.189 -4.347 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.225 -6.174 -4.482 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.812 -6.501 -5.217 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.401 -6.180 -6.253 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -6.240 -3.912 -4.582 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -6.416 -3.902 -6.353 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -7.115 -2.585 -5.381 1.00 0.00 H new ATOM 919 N SER A 64 -11.004 -2.962 -5.379 1.00 0.00 N ATOM 920 CA SER A 64 -11.826 -1.814 -4.991 1.00 0.00 C ATOM 921 C SER A 64 -11.656 -1.531 -3.504 1.00 0.00 C ATOM 922 O SER A 64 -11.905 -2.396 -2.665 1.00 0.00 O ATOM 923 CB SER A 64 -13.296 -2.096 -5.292 1.00 0.00 C ATOM 924 OG SER A 64 -13.752 -3.155 -4.461 1.00 0.00 O ATOM 0 H SER A 64 -11.341 -3.860 -5.033 1.00 0.00 H new ATOM 0 HA SER A 64 -11.504 -0.944 -5.563 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.893 -1.200 -5.119 1.00 0.00 H new ATOM 0 HB3 SER A 64 -13.419 -2.363 -6.341 1.00 0.00 H new ATOM 0 HG SER A 64 -13.127 -3.279 -3.717 1.00 0.00 H new ATOM 930 N LEU A 65 -11.219 -0.318 -3.185 1.00 0.00 N ATOM 931 CA LEU A 65 -11.007 0.068 -1.792 1.00 0.00 C ATOM 932 C LEU A 65 -12.279 0.657 -1.204 1.00 0.00 C ATOM 933 O LEU A 65 -13.096 1.240 -1.919 1.00 0.00 O ATOM 934 CB LEU A 65 -9.888 1.101 -1.704 1.00 0.00 C ATOM 935 CG LEU A 65 -8.759 0.715 -2.655 1.00 0.00 C ATOM 936 CD1 LEU A 65 -7.574 1.691 -2.483 1.00 0.00 C ATOM 937 CD2 LEU A 65 -8.300 -0.712 -2.357 1.00 0.00 C ATOM 0 H LEU A 65 -11.005 0.411 -3.865 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.731 -0.822 -1.226 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -10.271 2.089 -1.960 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.513 1.159 -0.682 1.00 0.00 H new ATOM 0 HG LEU A 65 -9.121 0.769 -3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.770 1.411 -3.164 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.903 2.706 -2.707 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.211 1.646 -1.456 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.494 -0.985 -3.038 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.943 -0.772 -1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -9.136 -1.399 -2.491 1.00 0.00 H new ATOM 949 N ASP A 66 -12.444 0.507 0.106 1.00 0.00 N ATOM 950 CA ASP A 66 -13.621 1.040 0.779 1.00 0.00 C ATOM 951 C ASP A 66 -13.322 2.419 1.368 1.00 0.00 C ATOM 952 O ASP A 66 -12.175 2.764 1.606 1.00 0.00 O ATOM 953 CB ASP A 66 -14.063 0.069 1.897 1.00 0.00 C ATOM 954 CG ASP A 66 -15.356 -0.643 1.503 1.00 0.00 C ATOM 955 OD1 ASP A 66 -15.359 -1.276 0.462 1.00 0.00 O ATOM 956 OD2 ASP A 66 -16.327 -0.520 2.232 1.00 0.00 O ATOM 0 H ASP A 66 -11.784 0.026 0.717 1.00 0.00 H new ATOM 0 HA ASP A 66 -14.427 1.144 0.053 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.278 -0.664 2.082 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.211 0.618 2.827 1.00 0.00 H new ATOM 961 N PRO A 67 -14.339 3.198 1.604 1.00 0.00 N ATOM 962 CA PRO A 67 -14.182 4.573 2.164 1.00 0.00 C ATOM 963 C PRO A 67 -13.553 4.573 3.554 1.00 0.00 C ATOM 964 O PRO A 67 -12.369 4.871 3.709 1.00 0.00 O ATOM 965 CB PRO A 67 -15.628 5.113 2.209 1.00 0.00 C ATOM 966 CG PRO A 67 -16.499 3.894 2.196 1.00 0.00 C ATOM 967 CD PRO A 67 -15.749 2.857 1.378 1.00 0.00 C ATOM 0 HA PRO A 67 -13.510 5.183 1.561 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -15.798 5.710 3.105 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -15.836 5.756 1.353 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -16.683 3.535 3.208 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -17.471 4.113 1.753 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -15.975 1.844 1.710 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -16.011 2.913 0.321 1.00 0.00 H new ATOM 975 N THR A 68 -14.358 4.246 4.559 1.00 0.00 N ATOM 976 CA THR A 68 -13.873 4.225 5.933 1.00 0.00 C ATOM 977 C THR A 68 -12.769 3.197 6.081 1.00 0.00 C ATOM 978 O THR A 68 -12.028 3.198 7.066 1.00 0.00 O ATOM 979 CB THR A 68 -15.020 3.893 6.890 1.00 0.00 C ATOM 980 OG1 THR A 68 -15.527 2.601 6.590 1.00 0.00 O ATOM 981 CG2 THR A 68 -16.135 4.929 6.730 1.00 0.00 C ATOM 0 H THR A 68 -15.340 3.994 4.450 1.00 0.00 H new ATOM 0 HA THR A 68 -13.477 5.210 6.179 1.00 0.00 H new ATOM 0 HB THR A 68 -14.654 3.910 7.916 1.00 0.00 H new ATOM 0 HG1 THR A 68 -16.261 2.387 7.204 1.00 0.00 H new ATOM 0 HG21 THR A 68 -16.952 4.692 7.412 1.00 0.00 H new ATOM 0 HG22 THR A 68 -15.746 5.921 6.960 1.00 0.00 H new ATOM 0 HG23 THR A 68 -16.502 4.913 5.704 1.00 0.00 H new ATOM 989 N LEU A 69 -12.655 2.317 5.096 1.00 0.00 N ATOM 990 CA LEU A 69 -11.628 1.308 5.142 1.00 0.00 C ATOM 991 C LEU A 69 -10.246 1.926 4.932 1.00 0.00 C ATOM 992 O LEU A 69 -9.279 1.586 5.609 1.00 0.00 O ATOM 993 CB LEU A 69 -11.886 0.235 4.072 1.00 0.00 C ATOM 994 CG LEU A 69 -10.811 -0.865 4.115 1.00 0.00 C ATOM 995 CD1 LEU A 69 -9.505 -0.360 3.475 1.00 0.00 C ATOM 996 CD2 LEU A 69 -10.581 -1.291 5.565 1.00 0.00 C ATOM 0 H LEU A 69 -13.255 2.287 4.271 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.655 0.844 6.128 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.870 -0.208 4.228 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.897 0.697 3.085 1.00 0.00 H new ATOM 0 HG LEU A 69 -11.150 -1.729 3.544 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -8.753 -1.148 3.512 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -9.691 -0.085 2.437 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -9.145 0.511 4.022 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -9.820 -2.070 5.599 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -10.247 -0.432 6.148 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -11.512 -1.674 5.984 1.00 0.00 H new ATOM 1008 N ILE A 70 -10.151 2.830 3.980 1.00 0.00 N ATOM 1009 CA ILE A 70 -8.877 3.474 3.688 1.00 0.00 C ATOM 1010 C ILE A 70 -8.379 4.236 4.909 1.00 0.00 C ATOM 1011 O ILE A 70 -7.196 4.186 5.242 1.00 0.00 O ATOM 1012 CB ILE A 70 -9.042 4.434 2.505 1.00 0.00 C ATOM 1013 CG1 ILE A 70 -9.255 3.632 1.214 1.00 0.00 C ATOM 1014 CG2 ILE A 70 -7.789 5.304 2.365 1.00 0.00 C ATOM 1015 CD1 ILE A 70 -9.838 4.546 0.132 1.00 0.00 C ATOM 0 H ILE A 70 -10.930 3.137 3.397 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.145 2.709 3.431 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.907 5.073 2.682 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.309 3.209 0.876 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.929 2.796 1.400 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.911 5.985 1.523 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.642 5.880 3.279 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.921 4.667 2.194 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -9.989 3.975 -0.784 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.793 4.947 0.471 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.148 5.367 -0.062 1.00 0.00 H new ATOM 1027 N TRP A 71 -9.288 4.944 5.562 1.00 0.00 N ATOM 1028 CA TRP A 71 -8.933 5.719 6.745 1.00 0.00 C ATOM 1029 C TRP A 71 -8.672 4.797 7.926 1.00 0.00 C ATOM 1030 O TRP A 71 -8.289 5.251 9.006 1.00 0.00 O ATOM 1031 CB TRP A 71 -10.056 6.702 7.087 1.00 0.00 C ATOM 1032 CG TRP A 71 -10.014 7.864 6.146 1.00 0.00 C ATOM 1033 CD1 TRP A 71 -10.977 8.177 5.253 1.00 0.00 C ATOM 1034 CD2 TRP A 71 -8.964 8.861 5.986 1.00 0.00 C ATOM 1035 NE1 TRP A 71 -10.592 9.310 4.559 1.00 0.00 N ATOM 1036 CE2 TRP A 71 -9.356 9.769 4.973 1.00 0.00 C ATOM 1037 CE3 TRP A 71 -7.722 9.068 6.615 1.00 0.00 C ATOM 1038 CZ2 TRP A 71 -8.545 10.843 4.599 1.00 0.00 C ATOM 1039 CZ3 TRP A 71 -6.905 10.147 6.241 1.00 0.00 C ATOM 1040 CH2 TRP A 71 -7.317 11.032 5.234 1.00 0.00 C ATOM 0 H TRP A 71 -10.271 4.999 5.296 1.00 0.00 H new ATOM 0 HA TRP A 71 -8.023 6.279 6.532 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -11.022 6.202 7.020 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -9.947 7.050 8.114 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.897 7.632 5.105 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -11.152 9.753 3.831 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -7.395 8.392 7.391 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -8.866 11.523 3.824 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -5.954 10.296 6.731 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -6.684 11.860 4.950 1.00 0.00 H new ATOM 1051 N ASP A 72 -8.876 3.500 7.721 1.00 0.00 N ATOM 1052 CA ASP A 72 -8.650 2.514 8.780 1.00 0.00 C ATOM 1053 C ASP A 72 -7.269 1.896 8.645 1.00 0.00 C ATOM 1054 O ASP A 72 -6.653 1.515 9.638 1.00 0.00 O ATOM 1055 CB ASP A 72 -9.710 1.418 8.721 1.00 0.00 C ATOM 1056 CG ASP A 72 -11.056 1.976 9.167 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -11.072 3.075 9.698 1.00 0.00 O ATOM 1058 OD2 ASP A 72 -12.050 1.303 8.961 1.00 0.00 O ATOM 0 H ASP A 72 -9.196 3.105 6.837 1.00 0.00 H new ATOM 0 HA ASP A 72 -8.718 3.024 9.741 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -9.786 1.028 7.706 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.421 0.585 9.362 1.00 0.00 H new ATOM 1063 N HIS A 73 -6.782 1.806 7.406 1.00 0.00 N ATOM 1064 CA HIS A 73 -5.456 1.241 7.143 1.00 0.00 C ATOM 1065 C HIS A 73 -4.546 2.289 6.504 1.00 0.00 C ATOM 1066 O HIS A 73 -3.988 2.071 5.431 1.00 0.00 O ATOM 1067 CB HIS A 73 -5.577 0.036 6.214 1.00 0.00 C ATOM 1068 CG HIS A 73 -6.681 -0.859 6.701 1.00 0.00 C ATOM 1069 ND1 HIS A 73 -7.216 -0.755 7.973 1.00 0.00 N ATOM 1070 CD2 HIS A 73 -7.363 -1.882 6.093 1.00 0.00 C ATOM 1071 CE1 HIS A 73 -8.175 -1.692 8.082 1.00 0.00 C ATOM 1072 NE2 HIS A 73 -8.301 -2.405 6.970 1.00 0.00 N ATOM 0 H HIS A 73 -7.282 2.115 6.573 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.021 0.925 8.091 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.784 0.367 5.196 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.635 -0.512 6.186 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.195 -2.228 5.084 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.771 -1.846 8.969 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -8.949 -3.173 6.797 1.00 0.00 H new ATOM 1081 N PRO A 74 -4.385 3.415 7.152 1.00 0.00 N ATOM 1082 CA PRO A 74 -3.520 4.522 6.651 1.00 0.00 C ATOM 1083 C PRO A 74 -2.042 4.167 6.716 1.00 0.00 C ATOM 1084 O PRO A 74 -1.193 4.944 6.290 1.00 0.00 O ATOM 1085 CB PRO A 74 -3.839 5.687 7.599 1.00 0.00 C ATOM 1086 CG PRO A 74 -4.302 5.042 8.861 1.00 0.00 C ATOM 1087 CD PRO A 74 -5.014 3.766 8.432 1.00 0.00 C ATOM 0 HA PRO A 74 -3.713 4.750 5.603 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -2.959 6.307 7.772 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.609 6.336 7.182 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.462 4.820 9.519 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -4.974 5.699 9.413 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.888 2.973 9.169 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.086 3.927 8.318 1.00 0.00 H new ATOM 1095 N THR A 75 -1.743 2.991 7.252 1.00 0.00 N ATOM 1096 CA THR A 75 -0.354 2.537 7.379 1.00 0.00 C ATOM 1097 C THR A 75 -0.094 1.333 6.482 1.00 0.00 C ATOM 1098 O THR A 75 -1.025 0.661 6.036 1.00 0.00 O ATOM 1099 CB THR A 75 -0.061 2.178 8.837 1.00 0.00 C ATOM 1100 OG1 THR A 75 -1.084 1.323 9.328 1.00 0.00 O ATOM 1101 CG2 THR A 75 -0.011 3.457 9.679 1.00 0.00 C ATOM 0 H THR A 75 -2.437 2.332 7.606 1.00 0.00 H new ATOM 0 HA THR A 75 0.307 3.345 7.065 1.00 0.00 H new ATOM 0 HB THR A 75 0.900 1.667 8.900 1.00 0.00 H new ATOM 0 HG1 THR A 75 -0.896 1.091 10.261 1.00 0.00 H new ATOM 0 HG21 THR A 75 0.198 3.201 10.718 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.775 4.111 9.301 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.970 3.971 9.618 1.00 0.00 H new ATOM 1109 N ILE A 76 1.176 1.050 6.249 1.00 0.00 N ATOM 1110 CA ILE A 76 1.562 -0.092 5.437 1.00 0.00 C ATOM 1111 C ILE A 76 1.288 -1.397 6.174 1.00 0.00 C ATOM 1112 O ILE A 76 0.876 -2.386 5.576 1.00 0.00 O ATOM 1113 CB ILE A 76 3.043 -0.010 5.064 1.00 0.00 C ATOM 1114 CG1 ILE A 76 3.266 1.200 4.143 1.00 0.00 C ATOM 1115 CG2 ILE A 76 3.478 -1.293 4.330 1.00 0.00 C ATOM 1116 CD1 ILE A 76 4.697 1.182 3.585 1.00 0.00 C ATOM 0 H ILE A 76 1.958 1.596 6.611 1.00 0.00 H new ATOM 0 HA ILE A 76 0.965 -0.072 4.525 1.00 0.00 H new ATOM 0 HB ILE A 76 3.634 0.098 5.973 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.548 1.180 3.324 1.00 0.00 H new ATOM 0 HG13 ILE A 76 3.094 2.124 4.695 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.534 -1.223 4.070 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.321 -2.155 4.979 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.887 -1.410 3.421 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.844 2.044 2.934 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.409 1.224 4.409 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.854 0.266 3.016 1.00 0.00 H new ATOM 1128 N ASP A 77 1.554 -1.401 7.475 1.00 0.00 N ATOM 1129 CA ASP A 77 1.360 -2.603 8.279 1.00 0.00 C ATOM 1130 C ASP A 77 -0.050 -3.152 8.086 1.00 0.00 C ATOM 1131 O ASP A 77 -0.227 -4.348 7.845 1.00 0.00 O ATOM 1132 CB ASP A 77 1.576 -2.276 9.759 1.00 0.00 C ATOM 1133 CG ASP A 77 1.406 -3.535 10.603 1.00 0.00 C ATOM 1134 OD1 ASP A 77 1.014 -4.547 10.047 1.00 0.00 O ATOM 1135 OD2 ASP A 77 1.675 -3.468 11.790 1.00 0.00 O ATOM 0 H ASP A 77 1.901 -0.594 7.992 1.00 0.00 H new ATOM 0 HA ASP A 77 2.081 -3.355 7.958 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.573 -1.862 9.906 1.00 0.00 H new ATOM 0 HB3 ASP A 77 0.864 -1.515 10.079 1.00 0.00 H new ATOM 1140 N ALA A 78 -1.044 -2.275 8.182 1.00 0.00 N ATOM 1141 CA ALA A 78 -2.431 -2.691 8.009 1.00 0.00 C ATOM 1142 C ALA A 78 -2.704 -3.055 6.556 1.00 0.00 C ATOM 1143 O ALA A 78 -3.286 -4.100 6.263 1.00 0.00 O ATOM 1144 CB ALA A 78 -3.367 -1.563 8.445 1.00 0.00 C ATOM 0 H ALA A 78 -0.917 -1.282 8.377 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.610 -3.571 8.627 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.402 -1.878 8.314 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.189 -1.328 9.494 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.178 -0.678 7.838 1.00 0.00 H new ATOM 1150 N LEU A 79 -2.288 -2.184 5.646 1.00 0.00 N ATOM 1151 CA LEU A 79 -2.511 -2.428 4.237 1.00 0.00 C ATOM 1152 C LEU A 79 -1.862 -3.739 3.805 1.00 0.00 C ATOM 1153 O LEU A 79 -2.475 -4.543 3.102 1.00 0.00 O ATOM 1154 CB LEU A 79 -1.928 -1.258 3.409 1.00 0.00 C ATOM 1155 CG LEU A 79 -2.898 -0.881 2.279 1.00 0.00 C ATOM 1156 CD1 LEU A 79 -3.261 -2.133 1.451 1.00 0.00 C ATOM 1157 CD2 LEU A 79 -4.179 -0.259 2.887 1.00 0.00 C ATOM 0 H LEU A 79 -1.801 -1.314 5.860 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.584 -2.501 4.063 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.755 -0.396 4.053 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -0.962 -1.543 2.991 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.420 -0.155 1.622 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.949 -1.854 0.653 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.355 -2.558 1.018 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.735 -2.872 2.097 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.869 0.009 2.087 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.655 -0.982 3.549 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -3.916 0.634 3.454 1.00 0.00 H new ATOM 1169 N SER A 80 -0.621 -3.936 4.218 1.00 0.00 N ATOM 1170 CA SER A 80 0.105 -5.146 3.864 1.00 0.00 C ATOM 1171 C SER A 80 -0.616 -6.370 4.414 1.00 0.00 C ATOM 1172 O SER A 80 -0.820 -7.351 3.699 1.00 0.00 O ATOM 1173 CB SER A 80 1.523 -5.087 4.432 1.00 0.00 C ATOM 1174 OG SER A 80 1.455 -4.993 5.848 1.00 0.00 O ATOM 0 H SER A 80 -0.097 -3.278 4.795 1.00 0.00 H new ATOM 0 HA SER A 80 0.155 -5.220 2.778 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.082 -5.977 4.141 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.056 -4.228 4.024 1.00 0.00 H new ATOM 0 HG SER A 80 1.177 -4.088 6.103 1.00 0.00 H new ATOM 1180 N THR A 81 -1.008 -6.301 5.682 1.00 0.00 N ATOM 1181 CA THR A 81 -1.712 -7.412 6.318 1.00 0.00 C ATOM 1182 C THR A 81 -2.970 -7.758 5.522 1.00 0.00 C ATOM 1183 O THR A 81 -3.296 -8.925 5.321 1.00 0.00 O ATOM 1184 CB THR A 81 -2.095 -7.037 7.749 1.00 0.00 C ATOM 1185 OG1 THR A 81 -0.917 -6.803 8.508 1.00 0.00 O ATOM 1186 CG2 THR A 81 -2.895 -8.177 8.381 1.00 0.00 C ATOM 0 H THR A 81 -0.852 -5.495 6.287 1.00 0.00 H new ATOM 0 HA THR A 81 -1.053 -8.280 6.340 1.00 0.00 H new ATOM 0 HB THR A 81 -2.704 -6.133 7.737 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.452 -6.016 8.155 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.167 -7.908 9.402 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.799 -8.353 7.799 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.289 -9.083 8.394 1.00 0.00 H new ATOM 1194 N ALA A 82 -3.678 -6.734 5.076 1.00 0.00 N ATOM 1195 CA ALA A 82 -4.893 -6.948 4.295 1.00 0.00 C ATOM 1196 C ALA A 82 -4.546 -7.490 2.900 1.00 0.00 C ATOM 1197 O ALA A 82 -5.237 -8.378 2.370 1.00 0.00 O ATOM 1198 CB ALA A 82 -5.659 -5.630 4.154 1.00 0.00 C ATOM 0 H ALA A 82 -3.439 -5.755 5.237 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.515 -7.678 4.814 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.564 -5.796 3.570 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.928 -5.258 5.143 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.031 -4.896 3.648 1.00 0.00 H new ATOM 1204 N LEU A 83 -3.482 -6.951 2.309 1.00 0.00 N ATOM 1205 CA LEU A 83 -3.085 -7.377 0.977 1.00 0.00 C ATOM 1206 C LEU A 83 -2.711 -8.854 0.979 1.00 0.00 C ATOM 1207 O LEU A 83 -3.200 -9.625 0.159 1.00 0.00 O ATOM 1208 CB LEU A 83 -1.886 -6.528 0.506 1.00 0.00 C ATOM 1209 CG LEU A 83 -2.001 -6.260 -0.996 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -0.782 -5.458 -1.466 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -2.077 -7.594 -1.751 1.00 0.00 C ATOM 0 H LEU A 83 -2.891 -6.231 2.725 1.00 0.00 H new ATOM 0 HA LEU A 83 -3.922 -7.236 0.293 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -1.859 -5.585 1.052 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -0.953 -7.048 0.722 1.00 0.00 H new ATOM 0 HG LEU A 83 -2.905 -5.686 -1.198 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -0.863 -5.267 -2.536 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -0.741 -4.510 -0.930 1.00 0.00 H new ATOM 0 HD13 LEU A 83 0.126 -6.027 -1.267 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.159 -7.402 -2.821 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.176 -8.175 -1.554 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -2.950 -8.153 -1.415 1.00 0.00 H new ATOM 1223 N VAL A 84 -1.831 -9.236 1.894 1.00 0.00 N ATOM 1224 CA VAL A 84 -1.399 -10.623 1.984 1.00 0.00 C ATOM 1225 C VAL A 84 -2.593 -11.508 2.332 1.00 0.00 C ATOM 1226 O VAL A 84 -2.670 -12.654 1.904 1.00 0.00 O ATOM 1227 CB VAL A 84 -0.314 -10.772 3.057 1.00 0.00 C ATOM 1228 CG1 VAL A 84 -0.904 -10.457 4.428 1.00 0.00 C ATOM 1229 CG2 VAL A 84 0.231 -12.205 3.049 1.00 0.00 C ATOM 0 H VAL A 84 -1.406 -8.611 2.579 1.00 0.00 H new ATOM 0 HA VAL A 84 -0.987 -10.929 1.023 1.00 0.00 H new ATOM 0 HB VAL A 84 0.499 -10.078 2.844 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.132 -10.563 5.190 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.282 -9.435 4.435 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.720 -11.147 4.640 1.00 0.00 H new ATOM 0 HG21 VAL A 84 1.002 -12.305 3.813 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.579 -12.904 3.257 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.659 -12.426 2.071 1.00 0.00 H new ATOM 1239 N ALA A 85 -3.527 -10.965 3.106 1.00 0.00 N ATOM 1240 CA ALA A 85 -4.710 -11.722 3.493 1.00 0.00 C ATOM 1241 C ALA A 85 -5.454 -12.196 2.253 1.00 0.00 C ATOM 1242 O ALA A 85 -6.063 -13.263 2.247 1.00 0.00 O ATOM 1243 CB ALA A 85 -5.629 -10.854 4.346 1.00 0.00 C ATOM 0 H ALA A 85 -3.489 -10.014 3.474 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.398 -12.590 4.075 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.511 -11.428 4.631 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.099 -10.535 5.243 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -5.935 -9.978 3.775 1.00 0.00 H new