USER MOD reduce.3.24.130724 H: found=0, std=0, add=553, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 554 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 CYS SG : rot -24:sc= -4.07! USER MOD Set 1.2: A 26 HIS : no HD1:sc= -4.73! C(o=-8.8!,f=-19!) USER MOD Single : A 11 THR OG1 : rot 23:sc= 0.207 USER MOD Single : A 14 SER OG : rot -132:sc= -0.944! USER MOD Single : A 33 THR OG1 : rot 180:sc= -0.684 USER MOD Single : A 36 THR OG1 : rot 180:sc= -0.0483 USER MOD Single : A 41 THR OG1 : rot 180:sc= -0.653 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 TYR OH : rot 180:sc= -1.73! 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 HE2:sc= 0.873 K(o=0.87,f=-2.7!) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= -1.62 K(o=-1.6,f=-3.7!) USER MOD Single : A 75 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 SER OG : rot -85:sc= 0.895 USER MOD Single : A 81 THR OG1 : rot 77:sc= 1.26 USER MOD ----------------------------------------------------------------- ATOM 136 N THR A 11 4.079 -12.410 -2.283 1.00 0.00 N ATOM 137 CA THR A 11 4.646 -12.713 -0.966 1.00 0.00 C ATOM 138 C THR A 11 4.620 -11.467 -0.094 1.00 0.00 C ATOM 139 O THR A 11 4.643 -10.347 -0.595 1.00 0.00 O ATOM 140 CB THR A 11 6.084 -13.206 -1.114 1.00 0.00 C ATOM 141 OG1 THR A 11 6.128 -14.261 -2.064 1.00 0.00 O ATOM 142 CG2 THR A 11 6.592 -13.712 0.237 1.00 0.00 C ATOM 0 HA THR A 11 4.049 -13.495 -0.497 1.00 0.00 H new ATOM 0 HB THR A 11 6.716 -12.386 -1.454 1.00 0.00 H new ATOM 0 HG1 THR A 11 5.353 -14.197 -2.661 1.00 0.00 H new ATOM 0 HG21 THR A 11 7.618 -14.064 0.131 1.00 0.00 H new ATOM 0 HG22 THR A 11 6.560 -12.901 0.965 1.00 0.00 H new ATOM 0 HG23 THR A 11 5.961 -14.532 0.579 1.00 0.00 H new ATOM 150 N LEU A 12 4.567 -11.669 1.213 1.00 0.00 N ATOM 151 CA LEU A 12 4.523 -10.546 2.140 1.00 0.00 C ATOM 152 C LEU A 12 5.628 -9.551 1.834 1.00 0.00 C ATOM 153 O LEU A 12 5.404 -8.341 1.838 1.00 0.00 O ATOM 154 CB LEU A 12 4.677 -11.050 3.583 1.00 0.00 C ATOM 155 CG LEU A 12 3.637 -12.160 3.874 1.00 0.00 C ATOM 156 CD1 LEU A 12 4.291 -13.548 3.785 1.00 0.00 C ATOM 157 CD2 LEU A 12 3.061 -11.979 5.284 1.00 0.00 C ATOM 0 H LEU A 12 4.553 -12.589 1.654 1.00 0.00 H new ATOM 0 HA LEU A 12 3.560 -10.048 2.026 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.685 -11.436 3.736 1.00 0.00 H new ATOM 0 HB3 LEU A 12 4.543 -10.224 4.281 1.00 0.00 H new ATOM 0 HG LEU A 12 2.842 -12.085 3.132 1.00 0.00 H new ATOM 0 HD11 LEU A 12 3.545 -14.316 3.992 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.695 -13.696 2.784 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.097 -13.618 4.516 1.00 0.00 H new ATOM 0 HD21 LEU A 12 2.330 -12.763 5.482 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.866 -12.040 6.016 1.00 0.00 H new ATOM 0 HD23 LEU A 12 2.577 -11.005 5.357 1.00 0.00 H new ATOM 169 N ASP A 13 6.820 -10.058 1.569 1.00 0.00 N ATOM 170 CA ASP A 13 7.936 -9.181 1.265 1.00 0.00 C ATOM 171 C ASP A 13 7.703 -8.472 -0.055 1.00 0.00 C ATOM 172 O ASP A 13 8.021 -7.298 -0.189 1.00 0.00 O ATOM 173 CB ASP A 13 9.240 -9.971 1.184 1.00 0.00 C ATOM 174 CG ASP A 13 9.275 -11.024 2.287 1.00 0.00 C ATOM 175 OD1 ASP A 13 8.905 -10.694 3.403 1.00 0.00 O ATOM 176 OD2 ASP A 13 9.662 -12.144 2.000 1.00 0.00 O ATOM 0 H ASP A 13 7.038 -11.054 1.558 1.00 0.00 H new ATOM 0 HA ASP A 13 8.013 -8.447 2.067 1.00 0.00 H new ATOM 0 HB2 ASP A 13 9.326 -10.450 0.209 1.00 0.00 H new ATOM 0 HB3 ASP A 13 10.091 -9.297 1.284 1.00 0.00 H new ATOM 181 N SER A 14 7.139 -9.190 -1.029 1.00 0.00 N ATOM 182 CA SER A 14 6.877 -8.600 -2.334 1.00 0.00 C ATOM 183 C SER A 14 5.823 -7.515 -2.224 1.00 0.00 C ATOM 184 O SER A 14 5.906 -6.473 -2.886 1.00 0.00 O ATOM 185 CB SER A 14 6.420 -9.661 -3.316 1.00 0.00 C ATOM 186 OG SER A 14 5.167 -10.186 -2.894 1.00 0.00 O ATOM 0 H SER A 14 6.860 -10.167 -0.937 1.00 0.00 H new ATOM 0 HA SER A 14 7.804 -8.158 -2.699 1.00 0.00 H new ATOM 0 HB2 SER A 14 6.330 -9.234 -4.315 1.00 0.00 H new ATOM 0 HB3 SER A 14 7.160 -10.459 -3.376 1.00 0.00 H new ATOM 0 HG SER A 14 5.198 -11.165 -2.919 1.00 0.00 H new ATOM 192 N LEU A 15 4.813 -7.750 -1.404 1.00 0.00 N ATOM 193 CA LEU A 15 3.774 -6.756 -1.240 1.00 0.00 C ATOM 194 C LEU A 15 4.313 -5.597 -0.398 1.00 0.00 C ATOM 195 O LEU A 15 4.450 -4.475 -0.878 1.00 0.00 O ATOM 196 CB LEU A 15 2.562 -7.385 -0.558 1.00 0.00 C ATOM 197 CG LEU A 15 2.080 -8.577 -1.385 1.00 0.00 C ATOM 198 CD1 LEU A 15 1.034 -9.344 -0.581 1.00 0.00 C ATOM 199 CD2 LEU A 15 1.471 -8.093 -2.712 1.00 0.00 C ATOM 0 H LEU A 15 4.693 -8.601 -0.854 1.00 0.00 H new ATOM 0 HA LEU A 15 3.469 -6.379 -2.216 1.00 0.00 H new ATOM 0 HB2 LEU A 15 2.824 -7.709 0.449 1.00 0.00 H new ATOM 0 HB3 LEU A 15 1.764 -6.650 -0.459 1.00 0.00 H new ATOM 0 HG LEU A 15 2.924 -9.229 -1.611 1.00 0.00 H new ATOM 0 HD11 LEU A 15 0.683 -10.197 -1.161 1.00 0.00 H new ATOM 0 HD12 LEU A 15 1.477 -9.697 0.350 1.00 0.00 H new ATOM 0 HD13 LEU A 15 0.194 -8.687 -0.357 1.00 0.00 H new ATOM 0 HD21 LEU A 15 1.132 -8.952 -3.291 1.00 0.00 H new ATOM 0 HD22 LEU A 15 0.625 -7.437 -2.506 1.00 0.00 H new ATOM 0 HD23 LEU A 15 2.224 -7.547 -3.280 1.00 0.00 H new ATOM 211 N ARG A 16 4.610 -5.879 0.863 1.00 0.00 N ATOM 212 CA ARG A 16 5.111 -4.850 1.774 1.00 0.00 C ATOM 213 C ARG A 16 6.035 -3.876 1.038 1.00 0.00 C ATOM 214 O ARG A 16 5.836 -2.650 1.092 1.00 0.00 O ATOM 215 CB ARG A 16 5.879 -5.520 2.923 1.00 0.00 C ATOM 216 CG ARG A 16 6.564 -4.452 3.807 1.00 0.00 C ATOM 217 CD ARG A 16 8.047 -4.312 3.429 1.00 0.00 C ATOM 218 NE ARG A 16 8.715 -3.414 4.361 1.00 0.00 N ATOM 219 CZ ARG A 16 9.975 -3.045 4.169 1.00 0.00 C ATOM 220 NH1 ARG A 16 10.628 -3.492 3.133 1.00 0.00 N ATOM 221 NH2 ARG A 16 10.556 -2.235 5.011 1.00 0.00 N ATOM 0 H ARG A 16 4.515 -6.805 1.280 1.00 0.00 H new ATOM 0 HA ARG A 16 4.264 -4.290 2.170 1.00 0.00 H new ATOM 0 HB2 ARG A 16 5.195 -6.117 3.527 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.627 -6.202 2.520 1.00 0.00 H new ATOM 0 HG2 ARG A 16 6.060 -3.493 3.686 1.00 0.00 H new ATOM 0 HG3 ARG A 16 6.475 -4.729 4.857 1.00 0.00 H new ATOM 0 HD2 ARG A 16 8.529 -5.290 3.444 1.00 0.00 H new ATOM 0 HD3 ARG A 16 8.137 -3.928 2.413 1.00 0.00 H new ATOM 0 HE ARG A 16 8.207 -3.064 5.173 1.00 0.00 H new ATOM 0 HH11 ARG A 16 10.170 -4.122 2.475 1.00 0.00 H new ATOM 0 HH12 ARG A 16 11.597 -3.211 2.981 1.00 0.00 H new ATOM 0 HH21 ARG A 16 10.041 -1.884 5.819 1.00 0.00 H new ATOM 0 HH22 ARG A 16 11.525 -1.953 4.861 1.00 0.00 H new ATOM 235 N VAL A 17 7.027 -4.420 0.334 1.00 0.00 N ATOM 236 CA VAL A 17 7.959 -3.590 -0.419 1.00 0.00 C ATOM 237 C VAL A 17 7.197 -2.791 -1.483 1.00 0.00 C ATOM 238 O VAL A 17 7.500 -1.624 -1.727 1.00 0.00 O ATOM 239 CB VAL A 17 9.019 -4.482 -1.086 1.00 0.00 C ATOM 240 CG1 VAL A 17 9.761 -5.321 -0.020 1.00 0.00 C ATOM 241 CG2 VAL A 17 8.316 -5.404 -2.070 1.00 0.00 C ATOM 0 H VAL A 17 7.203 -5.423 0.271 1.00 0.00 H new ATOM 0 HA VAL A 17 8.454 -2.894 0.258 1.00 0.00 H new ATOM 0 HB VAL A 17 9.751 -3.863 -1.605 1.00 0.00 H new ATOM 0 HG11 VAL A 17 10.509 -5.948 -0.506 1.00 0.00 H new ATOM 0 HG12 VAL A 17 10.252 -4.655 0.690 1.00 0.00 H new ATOM 0 HG13 VAL A 17 9.046 -5.952 0.508 1.00 0.00 H new ATOM 0 HG21 VAL A 17 9.051 -6.047 -2.555 1.00 0.00 H new ATOM 0 HG22 VAL A 17 7.591 -6.020 -1.538 1.00 0.00 H new ATOM 0 HG23 VAL A 17 7.802 -4.808 -2.824 1.00 0.00 H new ATOM 251 N TRP A 18 6.201 -3.424 -2.118 1.00 0.00 N ATOM 252 CA TRP A 18 5.411 -2.732 -3.144 1.00 0.00 C ATOM 253 C TRP A 18 4.763 -1.467 -2.566 1.00 0.00 C ATOM 254 O TRP A 18 4.863 -0.389 -3.145 1.00 0.00 O ATOM 255 CB TRP A 18 4.311 -3.685 -3.703 1.00 0.00 C ATOM 256 CG TRP A 18 2.928 -3.216 -3.300 1.00 0.00 C ATOM 257 CD1 TRP A 18 2.171 -3.728 -2.295 1.00 0.00 C ATOM 258 CD2 TRP A 18 2.133 -2.136 -3.873 1.00 0.00 C ATOM 259 NE1 TRP A 18 0.999 -3.031 -2.208 1.00 0.00 N ATOM 260 CE2 TRP A 18 0.922 -2.047 -3.151 1.00 0.00 C ATOM 261 CE3 TRP A 18 2.335 -1.229 -4.935 1.00 0.00 C ATOM 262 CZ2 TRP A 18 -0.039 -1.104 -3.452 1.00 0.00 C ATOM 263 CZ3 TRP A 18 1.354 -0.277 -5.242 1.00 0.00 C ATOM 264 CH2 TRP A 18 0.171 -0.223 -4.496 1.00 0.00 C ATOM 0 H TRP A 18 5.928 -4.391 -1.945 1.00 0.00 H new ATOM 0 HA TRP A 18 6.078 -2.440 -3.955 1.00 0.00 H new ATOM 0 HB2 TRP A 18 4.381 -3.729 -4.790 1.00 0.00 H new ATOM 0 HB3 TRP A 18 4.478 -4.696 -3.332 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.452 -4.557 -1.663 1.00 0.00 H new ATOM 0 HE1 TRP A 18 0.270 -3.223 -1.521 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.247 -1.269 -5.512 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 -0.951 -1.054 -2.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 1.511 0.416 -6.055 1.00 0.00 H new ATOM 0 HH2 TRP A 18 -0.583 0.512 -4.738 1.00 0.00 H new ATOM 275 N LEU A 19 4.091 -1.623 -1.427 1.00 0.00 N ATOM 276 CA LEU A 19 3.412 -0.502 -0.782 1.00 0.00 C ATOM 277 C LEU A 19 4.369 0.649 -0.537 1.00 0.00 C ATOM 278 O LEU A 19 4.171 1.750 -1.061 1.00 0.00 O ATOM 279 CB LEU A 19 2.807 -0.985 0.565 1.00 0.00 C ATOM 280 CG LEU A 19 1.275 -1.173 0.445 1.00 0.00 C ATOM 281 CD1 LEU A 19 0.830 -2.377 1.267 1.00 0.00 C ATOM 282 CD2 LEU A 19 0.554 0.089 0.948 1.00 0.00 C ATOM 0 H LEU A 19 4.002 -2.511 -0.934 1.00 0.00 H new ATOM 0 HA LEU A 19 2.620 -0.144 -1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 19 3.271 -1.926 0.860 1.00 0.00 H new ATOM 0 HB3 LEU A 19 3.029 -0.260 1.349 1.00 0.00 H new ATOM 0 HG LEU A 19 1.021 -1.342 -0.602 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -0.249 -2.501 1.176 1.00 0.00 H new ATOM 0 HD12 LEU A 19 1.330 -3.273 0.900 1.00 0.00 H new ATOM 0 HD13 LEU A 19 1.090 -2.219 2.314 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.524 -0.049 0.861 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.814 0.265 1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.860 0.946 0.348 1.00 0.00 H new ATOM 294 N VAL A 20 5.402 0.407 0.257 1.00 0.00 N ATOM 295 CA VAL A 20 6.354 1.462 0.557 1.00 0.00 C ATOM 296 C VAL A 20 6.979 1.996 -0.721 1.00 0.00 C ATOM 297 O VAL A 20 7.045 3.208 -0.927 1.00 0.00 O ATOM 298 CB VAL A 20 7.441 0.920 1.489 1.00 0.00 C ATOM 299 CG1 VAL A 20 8.079 -0.322 0.865 1.00 0.00 C ATOM 300 CG2 VAL A 20 8.506 1.991 1.700 1.00 0.00 C ATOM 0 H VAL A 20 5.599 -0.492 0.697 1.00 0.00 H new ATOM 0 HA VAL A 20 5.831 2.281 1.050 1.00 0.00 H new ATOM 0 HB VAL A 20 6.998 0.653 2.449 1.00 0.00 H new ATOM 0 HG11 VAL A 20 8.853 -0.707 1.530 1.00 0.00 H new ATOM 0 HG12 VAL A 20 7.317 -1.086 0.715 1.00 0.00 H new ATOM 0 HG13 VAL A 20 8.523 -0.059 -0.095 1.00 0.00 H new ATOM 0 HG21 VAL A 20 9.281 1.608 2.363 1.00 0.00 H new ATOM 0 HG22 VAL A 20 8.949 2.258 0.740 1.00 0.00 H new ATOM 0 HG23 VAL A 20 8.050 2.874 2.147 1.00 0.00 H new ATOM 310 N ASP A 21 7.443 1.094 -1.573 1.00 0.00 N ATOM 311 CA ASP A 21 8.068 1.507 -2.819 1.00 0.00 C ATOM 312 C ASP A 21 7.098 2.334 -3.654 1.00 0.00 C ATOM 313 O ASP A 21 7.502 3.268 -4.351 1.00 0.00 O ATOM 314 CB ASP A 21 8.510 0.275 -3.605 1.00 0.00 C ATOM 315 CG ASP A 21 9.397 0.686 -4.775 1.00 0.00 C ATOM 316 OD1 ASP A 21 9.933 1.781 -4.729 1.00 0.00 O ATOM 317 OD2 ASP A 21 9.529 -0.100 -5.698 1.00 0.00 O ATOM 0 H ASP A 21 7.400 0.085 -1.427 1.00 0.00 H new ATOM 0 HA ASP A 21 8.938 2.121 -2.588 1.00 0.00 H new ATOM 0 HB2 ASP A 21 9.052 -0.407 -2.951 1.00 0.00 H new ATOM 0 HB3 ASP A 21 7.636 -0.263 -3.973 1.00 0.00 H new ATOM 322 N CYS A 22 5.818 1.993 -3.576 1.00 0.00 N ATOM 323 CA CYS A 22 4.808 2.720 -4.329 1.00 0.00 C ATOM 324 C CYS A 22 4.758 4.177 -3.892 1.00 0.00 C ATOM 325 O CYS A 22 4.768 5.084 -4.726 1.00 0.00 O ATOM 326 CB CYS A 22 3.434 2.091 -4.126 1.00 0.00 C ATOM 327 SG CYS A 22 2.256 2.863 -5.257 1.00 0.00 S ATOM 0 H CYS A 22 5.459 1.227 -3.006 1.00 0.00 H new ATOM 0 HA CYS A 22 5.078 2.669 -5.384 1.00 0.00 H new ATOM 0 HB2 CYS A 22 3.482 1.017 -4.308 1.00 0.00 H new ATOM 0 HB3 CYS A 22 3.108 2.225 -3.095 1.00 0.00 H new ATOM 0 HG CYS A 22 2.682 4.047 -5.586 1.00 0.00 H new ATOM 333 N VAL A 23 4.701 4.403 -2.583 1.00 0.00 N ATOM 334 CA VAL A 23 4.647 5.768 -2.073 1.00 0.00 C ATOM 335 C VAL A 23 5.916 6.522 -2.468 1.00 0.00 C ATOM 336 O VAL A 23 5.849 7.651 -2.956 1.00 0.00 O ATOM 337 CB VAL A 23 4.531 5.757 -0.551 1.00 0.00 C ATOM 338 CG1 VAL A 23 4.306 7.182 -0.021 1.00 0.00 C ATOM 339 CG2 VAL A 23 3.370 4.864 -0.110 1.00 0.00 C ATOM 0 H VAL A 23 4.691 3.675 -1.869 1.00 0.00 H new ATOM 0 HA VAL A 23 3.776 6.263 -2.501 1.00 0.00 H new ATOM 0 HB VAL A 23 5.462 5.364 -0.143 1.00 0.00 H new ATOM 0 HG11 VAL A 23 4.225 7.157 1.066 1.00 0.00 H new ATOM 0 HG12 VAL A 23 5.146 7.814 -0.308 1.00 0.00 H new ATOM 0 HG13 VAL A 23 3.387 7.587 -0.444 1.00 0.00 H new ATOM 0 HG21 VAL A 23 3.301 4.867 0.978 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.439 5.242 -0.534 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.541 3.846 -0.460 1.00 0.00 H new ATOM 349 N ALA A 24 7.076 5.900 -2.246 1.00 0.00 N ATOM 350 CA ALA A 24 8.345 6.541 -2.579 1.00 0.00 C ATOM 351 C ALA A 24 8.305 7.067 -4.004 1.00 0.00 C ATOM 352 O ALA A 24 8.648 8.214 -4.257 1.00 0.00 O ATOM 353 CB ALA A 24 9.494 5.539 -2.437 1.00 0.00 C ATOM 0 H ALA A 24 7.161 4.967 -1.843 1.00 0.00 H new ATOM 0 HA ALA A 24 8.506 7.372 -1.893 1.00 0.00 H new ATOM 0 HB1 ALA A 24 10.436 6.027 -2.688 1.00 0.00 H new ATOM 0 HB2 ALA A 24 9.536 5.176 -1.410 1.00 0.00 H new ATOM 0 HB3 ALA A 24 9.330 4.699 -3.112 1.00 0.00 H new ATOM 359 N GLY A 25 7.891 6.218 -4.929 1.00 0.00 N ATOM 360 CA GLY A 25 7.815 6.620 -6.324 1.00 0.00 C ATOM 361 C GLY A 25 6.800 7.748 -6.503 1.00 0.00 C ATOM 362 O GLY A 25 7.052 8.709 -7.227 1.00 0.00 O ATOM 0 H GLY A 25 7.605 5.257 -4.743 1.00 0.00 H new ATOM 0 HA2 GLY A 25 8.796 6.948 -6.668 1.00 0.00 H new ATOM 0 HA3 GLY A 25 7.531 5.766 -6.939 1.00 0.00 H new ATOM 366 N HIS A 26 5.647 7.619 -5.847 1.00 0.00 N ATOM 367 CA HIS A 26 4.603 8.633 -5.961 1.00 0.00 C ATOM 368 C HIS A 26 5.124 10.014 -5.573 1.00 0.00 C ATOM 369 O HIS A 26 4.983 10.969 -6.335 1.00 0.00 O ATOM 370 CB HIS A 26 3.424 8.269 -5.048 1.00 0.00 C ATOM 371 CG HIS A 26 2.660 7.115 -5.633 1.00 0.00 C ATOM 372 ND1 HIS A 26 2.687 6.818 -6.987 1.00 0.00 N ATOM 373 CD2 HIS A 26 1.830 6.184 -5.062 1.00 0.00 C ATOM 374 CE1 HIS A 26 1.893 5.748 -7.182 1.00 0.00 C ATOM 375 NE2 HIS A 26 1.346 5.323 -6.041 1.00 0.00 N ATOM 0 H HIS A 26 5.415 6.833 -5.239 1.00 0.00 H new ATOM 0 HA HIS A 26 4.279 8.663 -7.001 1.00 0.00 H new ATOM 0 HB2 HIS A 26 3.789 8.008 -4.055 1.00 0.00 H new ATOM 0 HB3 HIS A 26 2.765 9.129 -4.930 1.00 0.00 H new ATOM 0 HD2 HIS A 26 1.589 6.128 -4.011 1.00 0.00 H new ATOM 0 HE1 HIS A 26 1.720 5.290 -8.144 1.00 0.00 H new ATOM 0 HE2 HIS A 26 0.710 4.536 -5.914 1.00 0.00 H new ATOM 384 N LEU A 27 5.722 10.122 -4.387 1.00 0.00 N ATOM 385 CA LEU A 27 6.247 11.409 -3.934 1.00 0.00 C ATOM 386 C LEU A 27 7.657 11.638 -4.466 1.00 0.00 C ATOM 387 O LEU A 27 8.045 12.766 -4.768 1.00 0.00 O ATOM 388 CB LEU A 27 6.256 11.436 -2.403 1.00 0.00 C ATOM 389 CG LEU A 27 4.859 11.082 -1.876 1.00 0.00 C ATOM 390 CD1 LEU A 27 4.883 11.053 -0.346 1.00 0.00 C ATOM 391 CD2 LEU A 27 3.838 12.125 -2.354 1.00 0.00 C ATOM 0 H LEU A 27 5.853 9.350 -3.734 1.00 0.00 H new ATOM 0 HA LEU A 27 5.608 12.205 -4.315 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.991 10.727 -2.021 1.00 0.00 H new ATOM 0 HB3 LEU A 27 6.551 12.424 -2.048 1.00 0.00 H new ATOM 0 HG LEU A 27 4.571 10.102 -2.256 1.00 0.00 H new ATOM 0 HD11 LEU A 27 3.891 10.802 0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 27 5.599 10.304 -0.007 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.176 12.032 0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 27 2.849 11.866 -1.976 1.00 0.00 H new ATOM 0 HD22 LEU A 27 4.122 13.109 -1.983 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.817 12.141 -3.444 1.00 0.00 H new ATOM 403 N GLY A 28 8.421 10.557 -4.574 1.00 0.00 N ATOM 404 CA GLY A 28 9.800 10.619 -5.062 1.00 0.00 C ATOM 405 C GLY A 28 10.797 10.603 -3.906 1.00 0.00 C ATOM 406 O GLY A 28 12.010 10.593 -4.123 1.00 0.00 O ATOM 0 H GLY A 28 8.108 9.618 -4.329 1.00 0.00 H new ATOM 0 HA2 GLY A 28 9.993 9.774 -5.723 1.00 0.00 H new ATOM 0 HA3 GLY A 28 9.939 11.524 -5.653 1.00 0.00 H new ATOM 410 N LEU A 29 10.287 10.614 -2.676 1.00 0.00 N ATOM 411 CA LEU A 29 11.149 10.611 -1.497 1.00 0.00 C ATOM 412 C LEU A 29 11.834 9.258 -1.342 1.00 0.00 C ATOM 413 O LEU A 29 11.664 8.367 -2.176 1.00 0.00 O ATOM 414 CB LEU A 29 10.329 10.918 -0.240 1.00 0.00 C ATOM 415 CG LEU A 29 9.467 12.162 -0.473 1.00 0.00 C ATOM 416 CD1 LEU A 29 8.646 12.458 0.785 1.00 0.00 C ATOM 417 CD2 LEU A 29 10.359 13.364 -0.803 1.00 0.00 C ATOM 0 H LEU A 29 9.288 10.625 -2.471 1.00 0.00 H new ATOM 0 HA LEU A 29 11.909 11.381 -1.626 1.00 0.00 H new ATOM 0 HB2 LEU A 29 9.695 10.067 0.009 1.00 0.00 H new ATOM 0 HB3 LEU A 29 10.994 11.079 0.609 1.00 0.00 H new ATOM 0 HG LEU A 29 8.794 11.980 -1.311 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.032 13.344 0.619 1.00 0.00 H new ATOM 0 HD12 LEU A 29 8.002 11.607 1.008 1.00 0.00 H new ATOM 0 HD13 LEU A 29 9.318 12.634 1.625 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.737 14.244 -0.967 1.00 0.00 H new ATOM 0 HD22 LEU A 29 11.040 13.550 0.027 1.00 0.00 H new ATOM 0 HD23 LEU A 29 10.935 13.153 -1.704 1.00 0.00 H new ATOM 429 N ASP A 30 12.612 9.110 -0.276 1.00 0.00 N ATOM 430 CA ASP A 30 13.321 7.857 -0.025 1.00 0.00 C ATOM 431 C ASP A 30 12.395 6.841 0.645 1.00 0.00 C ATOM 432 O ASP A 30 11.718 7.157 1.621 1.00 0.00 O ATOM 433 CB ASP A 30 14.536 8.120 0.869 1.00 0.00 C ATOM 434 CG ASP A 30 15.676 8.728 0.057 1.00 0.00 C ATOM 435 OD1 ASP A 30 15.546 8.798 -1.155 1.00 0.00 O ATOM 436 OD2 ASP A 30 16.663 9.114 0.658 1.00 0.00 O ATOM 0 H ASP A 30 12.768 9.835 0.425 1.00 0.00 H new ATOM 0 HA ASP A 30 13.654 7.448 -0.979 1.00 0.00 H new ATOM 0 HB2 ASP A 30 14.259 8.794 1.680 1.00 0.00 H new ATOM 0 HB3 ASP A 30 14.866 7.188 1.328 1.00 0.00 H new ATOM 441 N ALA A 31 12.382 5.621 0.113 1.00 0.00 N ATOM 442 CA ALA A 31 11.540 4.563 0.657 1.00 0.00 C ATOM 443 C ALA A 31 11.890 4.264 2.111 1.00 0.00 C ATOM 444 O ALA A 31 11.004 4.016 2.939 1.00 0.00 O ATOM 445 CB ALA A 31 11.700 3.289 -0.182 1.00 0.00 C ATOM 0 H ALA A 31 12.944 5.343 -0.692 1.00 0.00 H new ATOM 0 HA ALA A 31 10.506 4.904 0.619 1.00 0.00 H new ATOM 0 HB1 ALA A 31 11.069 2.501 0.229 1.00 0.00 H new ATOM 0 HB2 ALA A 31 11.404 3.492 -1.211 1.00 0.00 H new ATOM 0 HB3 ALA A 31 12.741 2.968 -0.161 1.00 0.00 H new ATOM 451 N ALA A 32 13.180 4.314 2.431 1.00 0.00 N ATOM 452 CA ALA A 32 13.633 4.042 3.787 1.00 0.00 C ATOM 453 C ALA A 32 13.100 5.070 4.770 1.00 0.00 C ATOM 454 O ALA A 32 13.158 4.865 5.982 1.00 0.00 O ATOM 455 CB ALA A 32 15.163 4.046 3.827 1.00 0.00 C ATOM 0 H ALA A 32 13.925 4.539 1.772 1.00 0.00 H new ATOM 0 HA ALA A 32 13.252 3.063 4.079 1.00 0.00 H new ATOM 0 HB1 ALA A 32 15.501 3.842 4.843 1.00 0.00 H new ATOM 0 HB2 ALA A 32 15.547 3.277 3.156 1.00 0.00 H new ATOM 0 HB3 ALA A 32 15.533 5.021 3.510 1.00 0.00 H new ATOM 461 N THR A 33 12.582 6.178 4.250 1.00 0.00 N ATOM 462 CA THR A 33 12.042 7.232 5.107 1.00 0.00 C ATOM 463 C THR A 33 10.681 7.694 4.607 1.00 0.00 C ATOM 464 O THR A 33 10.364 8.883 4.661 1.00 0.00 O ATOM 465 CB THR A 33 13.014 8.417 5.147 1.00 0.00 C ATOM 466 OG1 THR A 33 13.532 8.648 3.847 1.00 0.00 O ATOM 467 CG2 THR A 33 14.165 8.101 6.108 1.00 0.00 C ATOM 0 H THR A 33 12.524 6.370 3.250 1.00 0.00 H new ATOM 0 HA THR A 33 11.919 6.830 6.113 1.00 0.00 H new ATOM 0 HB THR A 33 12.488 9.307 5.491 1.00 0.00 H new ATOM 0 HG1 THR A 33 14.152 9.407 3.872 1.00 0.00 H new ATOM 0 HG21 THR A 33 14.856 8.943 6.137 1.00 0.00 H new ATOM 0 HG22 THR A 33 13.767 7.924 7.107 1.00 0.00 H new ATOM 0 HG23 THR A 33 14.692 7.211 5.765 1.00 0.00 H new ATOM 475 N ILE A 34 9.873 6.756 4.119 1.00 0.00 N ATOM 476 CA ILE A 34 8.549 7.120 3.626 1.00 0.00 C ATOM 477 C ILE A 34 7.590 7.347 4.785 1.00 0.00 C ATOM 478 O ILE A 34 7.238 8.487 5.087 1.00 0.00 O ATOM 479 CB ILE A 34 8.037 6.006 2.680 1.00 0.00 C ATOM 480 CG1 ILE A 34 8.450 6.345 1.239 1.00 0.00 C ATOM 481 CG2 ILE A 34 6.510 5.834 2.748 1.00 0.00 C ATOM 482 CD1 ILE A 34 7.638 7.525 0.687 1.00 0.00 C ATOM 0 H ILE A 34 10.103 5.764 4.055 1.00 0.00 H new ATOM 0 HA ILE A 34 8.610 8.055 3.069 1.00 0.00 H new ATOM 0 HB ILE A 34 8.484 5.065 3.001 1.00 0.00 H new ATOM 0 HG12 ILE A 34 9.512 6.587 1.211 1.00 0.00 H new ATOM 0 HG13 ILE A 34 8.305 5.472 0.602 1.00 0.00 H new ATOM 0 HG21 ILE A 34 6.202 5.041 2.066 1.00 0.00 H new ATOM 0 HG22 ILE A 34 6.218 5.572 3.765 1.00 0.00 H new ATOM 0 HG23 ILE A 34 6.026 6.767 2.461 1.00 0.00 H new ATOM 0 HD11 ILE A 34 7.955 7.739 -0.334 1.00 0.00 H new ATOM 0 HD12 ILE A 34 6.578 7.271 0.692 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.804 8.404 1.310 1.00 0.00 H new ATOM 494 N ALA A 35 7.153 6.264 5.405 1.00 0.00 N ATOM 495 CA ALA A 35 6.210 6.351 6.504 1.00 0.00 C ATOM 496 C ALA A 35 5.617 4.973 6.788 1.00 0.00 C ATOM 497 O ALA A 35 4.529 4.867 7.344 1.00 0.00 O ATOM 498 CB ALA A 35 5.086 7.337 6.138 1.00 0.00 C ATOM 0 H ALA A 35 7.437 5.314 5.165 1.00 0.00 H new ATOM 0 HA ALA A 35 6.726 6.706 7.396 1.00 0.00 H new ATOM 0 HB1 ALA A 35 4.377 7.403 6.963 1.00 0.00 H new ATOM 0 HB2 ALA A 35 5.513 8.321 5.947 1.00 0.00 H new ATOM 0 HB3 ALA A 35 4.571 6.986 5.244 1.00 0.00 H new ATOM 504 N THR A 36 6.312 3.915 6.370 1.00 0.00 N ATOM 505 CA THR A 36 5.802 2.556 6.559 1.00 0.00 C ATOM 506 C THR A 36 5.119 2.417 7.911 1.00 0.00 C ATOM 507 O THR A 36 4.131 1.692 8.042 1.00 0.00 O ATOM 508 CB THR A 36 6.960 1.558 6.483 1.00 0.00 C ATOM 509 OG1 THR A 36 7.654 1.549 7.723 1.00 0.00 O ATOM 510 CG2 THR A 36 7.921 1.972 5.367 1.00 0.00 C ATOM 0 H THR A 36 7.218 3.970 5.904 1.00 0.00 H new ATOM 0 HA THR A 36 5.076 2.351 5.773 1.00 0.00 H new ATOM 0 HB THR A 36 6.569 0.562 6.274 1.00 0.00 H new ATOM 0 HG1 THR A 36 8.395 0.910 7.678 1.00 0.00 H new ATOM 0 HG21 THR A 36 8.745 1.261 5.314 1.00 0.00 H new ATOM 0 HG22 THR A 36 7.390 1.984 4.415 1.00 0.00 H new ATOM 0 HG23 THR A 36 8.314 2.967 5.576 1.00 0.00 H new ATOM 518 N ASP A 37 5.639 3.118 8.915 1.00 0.00 N ATOM 519 CA ASP A 37 5.064 3.066 10.254 1.00 0.00 C ATOM 520 C ASP A 37 4.111 4.235 10.474 1.00 0.00 C ATOM 521 O ASP A 37 3.278 4.207 11.380 1.00 0.00 O ATOM 522 CB ASP A 37 6.188 3.131 11.291 1.00 0.00 C ATOM 523 CG ASP A 37 7.043 4.374 11.050 1.00 0.00 C ATOM 524 OD1 ASP A 37 6.612 5.228 10.295 1.00 0.00 O ATOM 525 OD2 ASP A 37 8.118 4.447 11.623 1.00 0.00 O ATOM 0 H ASP A 37 6.453 3.726 8.827 1.00 0.00 H new ATOM 0 HA ASP A 37 4.509 2.134 10.360 1.00 0.00 H new ATOM 0 HB2 ASP A 37 5.767 3.157 12.296 1.00 0.00 H new ATOM 0 HB3 ASP A 37 6.806 2.235 11.228 1.00 0.00 H new ATOM 530 N LEU A 38 4.241 5.269 9.645 1.00 0.00 N ATOM 531 CA LEU A 38 3.391 6.452 9.761 1.00 0.00 C ATOM 532 C LEU A 38 2.266 6.415 8.725 1.00 0.00 C ATOM 533 O LEU A 38 2.420 5.836 7.649 1.00 0.00 O ATOM 534 CB LEU A 38 4.240 7.722 9.552 1.00 0.00 C ATOM 535 CG LEU A 38 4.972 8.091 10.854 1.00 0.00 C ATOM 536 CD1 LEU A 38 6.209 8.930 10.526 1.00 0.00 C ATOM 537 CD2 LEU A 38 4.044 8.906 11.761 1.00 0.00 C ATOM 0 H LEU A 38 4.924 5.312 8.889 1.00 0.00 H new ATOM 0 HA LEU A 38 2.948 6.463 10.757 1.00 0.00 H new ATOM 0 HB2 LEU A 38 4.963 7.557 8.753 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.601 8.548 9.238 1.00 0.00 H new ATOM 0 HG LEU A 38 5.270 7.175 11.365 1.00 0.00 H new ATOM 0 HD11 LEU A 38 6.727 9.191 11.449 1.00 0.00 H new ATOM 0 HD12 LEU A 38 6.878 8.357 9.884 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.905 9.841 10.011 1.00 0.00 H new ATOM 0 HD21 LEU A 38 4.569 9.164 12.681 1.00 0.00 H new ATOM 0 HD22 LEU A 38 3.743 9.819 11.247 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.160 8.316 12.001 1.00 0.00 H new ATOM 549 N PRO A 39 1.150 7.031 9.020 1.00 0.00 N ATOM 550 CA PRO A 39 -0.011 7.078 8.087 1.00 0.00 C ATOM 551 C PRO A 39 0.293 7.916 6.849 1.00 0.00 C ATOM 552 O PRO A 39 1.390 8.447 6.697 1.00 0.00 O ATOM 553 CB PRO A 39 -1.133 7.707 8.926 1.00 0.00 C ATOM 554 CG PRO A 39 -0.427 8.504 9.973 1.00 0.00 C ATOM 555 CD PRO A 39 0.866 7.752 10.274 1.00 0.00 C ATOM 0 HA PRO A 39 -0.274 6.092 7.703 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -1.777 8.340 8.315 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -1.769 6.943 9.373 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -0.218 9.514 9.620 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -1.040 8.600 10.869 1.00 0.00 H new ATOM 0 HD2 PRO A 39 1.675 8.434 10.536 1.00 0.00 H new ATOM 0 HD3 PRO A 39 0.744 7.066 11.112 1.00 0.00 H new ATOM 563 N LEU A 40 -0.698 8.029 5.978 1.00 0.00 N ATOM 564 CA LEU A 40 -0.556 8.802 4.757 1.00 0.00 C ATOM 565 C LEU A 40 -0.570 10.294 5.054 1.00 0.00 C ATOM 566 O LEU A 40 -0.067 11.099 4.273 1.00 0.00 O ATOM 567 CB LEU A 40 -1.693 8.458 3.783 1.00 0.00 C ATOM 568 CG LEU A 40 -3.068 8.579 4.490 1.00 0.00 C ATOM 569 CD1 LEU A 40 -3.686 9.946 4.213 1.00 0.00 C ATOM 570 CD2 LEU A 40 -4.021 7.517 3.953 1.00 0.00 C ATOM 0 H LEU A 40 -1.612 7.593 6.096 1.00 0.00 H new ATOM 0 HA LEU A 40 0.402 8.548 4.303 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.659 9.128 2.924 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -1.561 7.445 3.403 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.913 8.448 5.561 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.651 10.018 4.715 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -3.024 10.727 4.586 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.826 10.071 3.139 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.985 7.607 4.453 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.154 7.657 2.880 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -3.606 6.527 4.141 1.00 0.00 H new ATOM 582 N THR A 41 -1.161 10.658 6.183 1.00 0.00 N ATOM 583 CA THR A 41 -1.254 12.060 6.556 1.00 0.00 C ATOM 584 C THR A 41 0.110 12.728 6.493 1.00 0.00 C ATOM 585 O THR A 41 0.212 13.893 6.125 1.00 0.00 O ATOM 586 CB THR A 41 -1.819 12.196 7.969 1.00 0.00 C ATOM 587 OG1 THR A 41 -0.939 11.573 8.890 1.00 0.00 O ATOM 588 CG2 THR A 41 -3.191 11.529 8.038 1.00 0.00 C ATOM 0 H THR A 41 -1.579 10.009 6.850 1.00 0.00 H new ATOM 0 HA THR A 41 -1.922 12.552 5.849 1.00 0.00 H new ATOM 0 HB THR A 41 -1.920 13.252 8.221 1.00 0.00 H new ATOM 0 HG1 THR A 41 -1.299 11.661 9.797 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.593 11.627 9.047 1.00 0.00 H new ATOM 0 HG22 THR A 41 -3.866 12.011 7.330 1.00 0.00 H new ATOM 0 HG23 THR A 41 -3.095 10.473 7.786 1.00 0.00 H new ATOM 596 N SER A 42 1.149 11.999 6.872 1.00 0.00 N ATOM 597 CA SER A 42 2.495 12.551 6.869 1.00 0.00 C ATOM 598 C SER A 42 2.797 13.253 5.549 1.00 0.00 C ATOM 599 O SER A 42 3.548 14.228 5.513 1.00 0.00 O ATOM 600 CB SER A 42 3.508 11.422 7.085 1.00 0.00 C ATOM 601 OG SER A 42 4.808 11.887 6.750 1.00 0.00 O ATOM 0 H SER A 42 1.087 11.030 7.184 1.00 0.00 H new ATOM 0 HA SER A 42 2.569 13.282 7.674 1.00 0.00 H new ATOM 0 HB2 SER A 42 3.484 11.090 8.123 1.00 0.00 H new ATOM 0 HB3 SER A 42 3.247 10.561 6.469 1.00 0.00 H new ATOM 0 HG SER A 42 5.459 11.167 6.889 1.00 0.00 H new ATOM 607 N TYR A 43 2.214 12.752 4.465 1.00 0.00 N ATOM 608 CA TYR A 43 2.436 13.338 3.148 1.00 0.00 C ATOM 609 C TYR A 43 1.723 14.678 3.026 1.00 0.00 C ATOM 610 O TYR A 43 1.918 15.410 2.055 1.00 0.00 O ATOM 611 CB TYR A 43 1.929 12.373 2.068 1.00 0.00 C ATOM 612 CG TYR A 43 2.411 10.960 2.353 1.00 0.00 C ATOM 613 CD1 TYR A 43 3.698 10.723 2.879 1.00 0.00 C ATOM 614 CD2 TYR A 43 1.562 9.877 2.092 1.00 0.00 C ATOM 615 CE1 TYR A 43 4.120 9.416 3.133 1.00 0.00 C ATOM 616 CE2 TYR A 43 1.993 8.570 2.346 1.00 0.00 C ATOM 617 CZ TYR A 43 3.267 8.339 2.871 1.00 0.00 C ATOM 618 OH TYR A 43 3.683 7.046 3.124 1.00 0.00 O ATOM 0 H TYR A 43 1.588 11.947 4.472 1.00 0.00 H new ATOM 0 HA TYR A 43 3.504 13.507 3.014 1.00 0.00 H new ATOM 0 HB2 TYR A 43 0.840 12.393 2.035 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.283 12.694 1.089 1.00 0.00 H new ATOM 0 HD1 TYR A 43 4.358 11.553 3.086 1.00 0.00 H new ATOM 0 HD2 TYR A 43 0.573 10.051 1.694 1.00 0.00 H new ATOM 0 HE1 TYR A 43 5.107 9.237 3.533 1.00 0.00 H new ATOM 0 HE2 TYR A 43 1.339 7.737 2.135 1.00 0.00 H new ATOM 0 HH TYR A 43 2.968 6.420 2.886 1.00 0.00 H new ATOM 628 N GLY A 44 0.916 15.002 4.023 1.00 0.00 N ATOM 629 CA GLY A 44 0.197 16.269 4.030 1.00 0.00 C ATOM 630 C GLY A 44 -0.794 16.335 2.879 1.00 0.00 C ATOM 631 O GLY A 44 -1.293 17.407 2.536 1.00 0.00 O ATOM 0 H GLY A 44 0.742 14.410 4.835 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.330 16.388 4.977 1.00 0.00 H new ATOM 0 HA3 GLY A 44 0.905 17.094 3.954 1.00 0.00 H new ATOM 635 N LEU A 45 -1.081 15.182 2.292 1.00 0.00 N ATOM 636 CA LEU A 45 -2.022 15.107 1.183 1.00 0.00 C ATOM 637 C LEU A 45 -3.453 15.344 1.658 1.00 0.00 C ATOM 638 O LEU A 45 -3.866 14.817 2.689 1.00 0.00 O ATOM 639 CB LEU A 45 -1.910 13.720 0.493 1.00 0.00 C ATOM 640 CG LEU A 45 -2.929 12.697 1.070 1.00 0.00 C ATOM 641 CD1 LEU A 45 -2.849 11.369 0.303 1.00 0.00 C ATOM 642 CD2 LEU A 45 -2.640 12.444 2.562 1.00 0.00 C ATOM 0 H LEU A 45 -0.676 14.286 2.565 1.00 0.00 H new ATOM 0 HA LEU A 45 -1.772 15.889 0.466 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.078 13.834 -0.578 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.898 13.334 0.618 1.00 0.00 H new ATOM 0 HG LEU A 45 -3.931 13.112 0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.569 10.664 0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.078 11.542 -0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.844 10.957 0.393 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.360 11.726 2.955 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.632 12.046 2.675 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.724 13.381 3.113 1.00 0.00 H new ATOM 654 N ASP A 46 -4.201 16.121 0.892 1.00 0.00 N ATOM 655 CA ASP A 46 -5.588 16.397 1.236 1.00 0.00 C ATOM 656 C ASP A 46 -6.432 15.131 1.069 1.00 0.00 C ATOM 657 O ASP A 46 -5.996 14.164 0.447 1.00 0.00 O ATOM 658 CB ASP A 46 -6.142 17.501 0.338 1.00 0.00 C ATOM 659 CG ASP A 46 -7.446 18.040 0.918 1.00 0.00 C ATOM 660 OD1 ASP A 46 -7.766 17.679 2.040 1.00 0.00 O ATOM 661 OD2 ASP A 46 -8.103 18.808 0.236 1.00 0.00 O ATOM 0 H ASP A 46 -3.876 16.569 0.035 1.00 0.00 H new ATOM 0 HA ASP A 46 -5.631 16.724 2.275 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -5.414 18.307 0.248 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -6.314 17.113 -0.666 1.00 0.00 H new ATOM 666 N SER A 47 -7.639 15.146 1.630 1.00 0.00 N ATOM 667 CA SER A 47 -8.543 13.998 1.541 1.00 0.00 C ATOM 668 C SER A 47 -8.896 13.686 0.088 1.00 0.00 C ATOM 669 O SER A 47 -9.096 12.527 -0.278 1.00 0.00 O ATOM 670 CB SER A 47 -9.825 14.282 2.323 1.00 0.00 C ATOM 671 OG SER A 47 -9.488 14.705 3.638 1.00 0.00 O ATOM 0 H SER A 47 -8.015 15.938 2.151 1.00 0.00 H new ATOM 0 HA SER A 47 -8.033 13.135 1.968 1.00 0.00 H new ATOM 0 HB2 SER A 47 -10.409 15.052 1.819 1.00 0.00 H new ATOM 0 HB3 SER A 47 -10.446 13.387 2.364 1.00 0.00 H new ATOM 0 HG SER A 47 -10.308 14.890 4.142 1.00 0.00 H new ATOM 677 N VAL A 48 -8.970 14.725 -0.733 1.00 0.00 N ATOM 678 CA VAL A 48 -9.298 14.551 -2.142 1.00 0.00 C ATOM 679 C VAL A 48 -8.154 13.861 -2.880 1.00 0.00 C ATOM 680 O VAL A 48 -8.373 13.180 -3.881 1.00 0.00 O ATOM 681 CB VAL A 48 -9.581 15.910 -2.786 1.00 0.00 C ATOM 682 CG1 VAL A 48 -10.922 16.444 -2.284 1.00 0.00 C ATOM 683 CG2 VAL A 48 -8.472 16.893 -2.404 1.00 0.00 C ATOM 0 H VAL A 48 -8.808 15.692 -0.450 1.00 0.00 H new ATOM 0 HA VAL A 48 -10.188 13.925 -2.213 1.00 0.00 H new ATOM 0 HB VAL A 48 -9.616 15.798 -3.870 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -11.123 17.412 -2.743 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -11.715 15.745 -2.550 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.886 16.557 -1.200 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -8.671 17.862 -2.862 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -8.441 17.003 -1.320 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -7.513 16.515 -2.758 1.00 0.00 H new ATOM 693 N TYR A 49 -6.937 14.047 -2.381 1.00 0.00 N ATOM 694 CA TYR A 49 -5.771 13.435 -3.009 1.00 0.00 C ATOM 695 C TYR A 49 -5.784 11.919 -2.805 1.00 0.00 C ATOM 696 O TYR A 49 -5.584 11.156 -3.746 1.00 0.00 O ATOM 697 CB TYR A 49 -4.482 14.027 -2.416 1.00 0.00 C ATOM 698 CG TYR A 49 -3.366 13.955 -3.436 1.00 0.00 C ATOM 699 CD1 TYR A 49 -3.439 14.721 -4.603 1.00 0.00 C ATOM 700 CD2 TYR A 49 -2.261 13.126 -3.210 1.00 0.00 C ATOM 701 CE1 TYR A 49 -2.406 14.658 -5.545 1.00 0.00 C ATOM 702 CE2 TYR A 49 -1.233 13.064 -4.145 1.00 0.00 C ATOM 703 CZ TYR A 49 -1.303 13.828 -5.318 1.00 0.00 C ATOM 704 OH TYR A 49 -0.288 13.762 -6.249 1.00 0.00 O ATOM 0 H TYR A 49 -6.733 14.609 -1.555 1.00 0.00 H new ATOM 0 HA TYR A 49 -5.806 13.645 -4.078 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -4.650 15.063 -2.120 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -4.200 13.480 -1.516 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -4.292 15.361 -4.777 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -2.207 12.534 -2.309 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -2.460 15.250 -6.447 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -0.380 12.426 -3.967 1.00 0.00 H new ATOM 0 HH TYR A 49 0.402 13.140 -5.937 1.00 0.00 H new ATOM 714 N ALA A 50 -6.018 11.499 -1.564 1.00 0.00 N ATOM 715 CA ALA A 50 -6.046 10.077 -1.239 1.00 0.00 C ATOM 716 C ALA A 50 -6.988 9.333 -2.175 1.00 0.00 C ATOM 717 O ALA A 50 -6.756 8.172 -2.507 1.00 0.00 O ATOM 718 CB ALA A 50 -6.511 9.879 0.206 1.00 0.00 C ATOM 0 H ALA A 50 -6.190 12.119 -0.772 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.038 9.679 -1.358 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.529 8.815 0.440 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.824 10.388 0.882 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -7.512 10.294 0.326 1.00 0.00 H new ATOM 724 N LEU A 51 -8.053 10.004 -2.592 1.00 0.00 N ATOM 725 CA LEU A 51 -9.019 9.380 -3.482 1.00 0.00 C ATOM 726 C LEU A 51 -8.357 8.940 -4.782 1.00 0.00 C ATOM 727 O LEU A 51 -8.435 7.768 -5.169 1.00 0.00 O ATOM 728 CB LEU A 51 -10.141 10.382 -3.796 1.00 0.00 C ATOM 729 CG LEU A 51 -11.154 9.764 -4.788 1.00 0.00 C ATOM 730 CD1 LEU A 51 -12.581 10.120 -4.357 1.00 0.00 C ATOM 731 CD2 LEU A 51 -10.909 10.316 -6.202 1.00 0.00 C ATOM 0 H LEU A 51 -8.267 10.967 -2.332 1.00 0.00 H new ATOM 0 HA LEU A 51 -9.429 8.499 -2.987 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -10.651 10.667 -2.876 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.716 11.292 -4.220 1.00 0.00 H new ATOM 0 HG LEU A 51 -11.026 8.681 -4.791 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -13.292 9.683 -5.058 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -12.768 9.727 -3.358 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -12.699 11.204 -4.348 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -11.627 9.875 -6.894 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -11.029 11.399 -6.196 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -9.897 10.065 -6.520 1.00 0.00 H new ATOM 743 N SER A 52 -7.689 9.874 -5.444 1.00 0.00 N ATOM 744 CA SER A 52 -7.011 9.565 -6.694 1.00 0.00 C ATOM 745 C SER A 52 -5.872 8.581 -6.468 1.00 0.00 C ATOM 746 O SER A 52 -5.698 7.627 -7.226 1.00 0.00 O ATOM 747 CB SER A 52 -6.451 10.842 -7.308 1.00 0.00 C ATOM 748 OG SER A 52 -5.866 10.539 -8.568 1.00 0.00 O ATOM 0 H SER A 52 -7.602 10.844 -5.140 1.00 0.00 H new ATOM 0 HA SER A 52 -7.737 9.113 -7.370 1.00 0.00 H new ATOM 0 HB2 SER A 52 -7.245 11.579 -7.430 1.00 0.00 H new ATOM 0 HB3 SER A 52 -5.707 11.282 -6.645 1.00 0.00 H new ATOM 0 HG SER A 52 -5.506 11.358 -8.967 1.00 0.00 H new ATOM 754 N ILE A 53 -5.092 8.829 -5.422 1.00 0.00 N ATOM 755 CA ILE A 53 -3.962 7.969 -5.108 1.00 0.00 C ATOM 756 C ILE A 53 -4.439 6.569 -4.749 1.00 0.00 C ATOM 757 O ILE A 53 -4.071 5.592 -5.397 1.00 0.00 O ATOM 758 CB ILE A 53 -3.184 8.566 -3.927 1.00 0.00 C ATOM 759 CG1 ILE A 53 -2.796 10.025 -4.238 1.00 0.00 C ATOM 760 CG2 ILE A 53 -1.926 7.726 -3.638 1.00 0.00 C ATOM 761 CD1 ILE A 53 -1.523 10.093 -5.091 1.00 0.00 C ATOM 0 H ILE A 53 -5.221 9.613 -4.782 1.00 0.00 H new ATOM 0 HA ILE A 53 -3.315 7.902 -5.983 1.00 0.00 H new ATOM 0 HB ILE A 53 -3.819 8.552 -3.041 1.00 0.00 H new ATOM 0 HG12 ILE A 53 -3.615 10.517 -4.763 1.00 0.00 H new ATOM 0 HG13 ILE A 53 -2.642 10.569 -3.306 1.00 0.00 H new ATOM 0 HG21 ILE A 53 -1.383 8.160 -2.798 1.00 0.00 H new ATOM 0 HG22 ILE A 53 -2.219 6.705 -3.392 1.00 0.00 H new ATOM 0 HG23 ILE A 53 -1.284 7.717 -4.519 1.00 0.00 H new ATOM 0 HD11 ILE A 53 -1.276 11.135 -5.293 1.00 0.00 H new ATOM 0 HD12 ILE A 53 -0.700 9.622 -4.554 1.00 0.00 H new ATOM 0 HD13 ILE A 53 -1.688 9.570 -6.033 1.00 0.00 H new ATOM 773 N ALA A 54 -5.276 6.480 -3.724 1.00 0.00 N ATOM 774 CA ALA A 54 -5.794 5.190 -3.296 1.00 0.00 C ATOM 775 C ALA A 54 -6.323 4.411 -4.491 1.00 0.00 C ATOM 776 O ALA A 54 -6.169 3.190 -4.560 1.00 0.00 O ATOM 777 CB ALA A 54 -6.913 5.384 -2.272 1.00 0.00 C ATOM 0 H ALA A 54 -5.607 7.276 -3.180 1.00 0.00 H new ATOM 0 HA ALA A 54 -4.982 4.627 -2.836 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -7.293 4.411 -1.959 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -6.524 5.918 -1.405 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -7.721 5.962 -2.721 1.00 0.00 H new ATOM 783 N ALA A 55 -6.922 5.131 -5.438 1.00 0.00 N ATOM 784 CA ALA A 55 -7.453 4.499 -6.642 1.00 0.00 C ATOM 785 C ALA A 55 -6.326 3.940 -7.511 1.00 0.00 C ATOM 786 O ALA A 55 -6.420 2.833 -8.023 1.00 0.00 O ATOM 787 CB ALA A 55 -8.267 5.512 -7.450 1.00 0.00 C ATOM 0 H ALA A 55 -7.051 6.142 -5.395 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.096 3.674 -6.335 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -8.659 5.032 -8.346 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.095 5.880 -6.844 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -7.628 6.347 -7.736 1.00 0.00 H new ATOM 793 N GLU A 56 -5.272 4.725 -7.689 1.00 0.00 N ATOM 794 CA GLU A 56 -4.147 4.293 -8.519 1.00 0.00 C ATOM 795 C GLU A 56 -3.461 3.066 -7.911 1.00 0.00 C ATOM 796 O GLU A 56 -3.180 2.080 -8.607 1.00 0.00 O ATOM 797 CB GLU A 56 -3.132 5.432 -8.643 1.00 0.00 C ATOM 798 CG GLU A 56 -2.095 5.088 -9.715 1.00 0.00 C ATOM 799 CD GLU A 56 -2.733 5.156 -11.099 1.00 0.00 C ATOM 800 OE1 GLU A 56 -3.875 5.575 -11.183 1.00 0.00 O ATOM 801 OE2 GLU A 56 -2.068 4.792 -12.054 1.00 0.00 O ATOM 0 H GLU A 56 -5.169 5.653 -7.278 1.00 0.00 H new ATOM 0 HA GLU A 56 -4.529 4.027 -9.505 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -3.642 6.360 -8.902 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -2.638 5.597 -7.686 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -1.257 5.782 -9.658 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -1.695 4.090 -9.539 1.00 0.00 H new ATOM 808 N LEU A 57 -3.207 3.127 -6.607 1.00 0.00 N ATOM 809 CA LEU A 57 -2.554 2.024 -5.914 1.00 0.00 C ATOM 810 C LEU A 57 -3.349 0.737 -6.091 1.00 0.00 C ATOM 811 O LEU A 57 -2.853 -0.220 -6.654 1.00 0.00 O ATOM 812 CB LEU A 57 -2.439 2.360 -4.409 1.00 0.00 C ATOM 813 CG LEU A 57 -1.173 3.189 -4.143 1.00 0.00 C ATOM 814 CD1 LEU A 57 -1.369 4.600 -4.682 1.00 0.00 C ATOM 815 CD2 LEU A 57 -0.913 3.249 -2.638 1.00 0.00 C ATOM 0 H LEU A 57 -3.442 3.923 -6.014 1.00 0.00 H new ATOM 0 HA LEU A 57 -1.560 1.881 -6.337 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -3.320 2.914 -4.085 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -2.409 1.440 -3.825 1.00 0.00 H new ATOM 0 HG LEU A 57 -0.321 2.725 -4.641 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.472 5.189 -4.494 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -1.557 4.557 -5.755 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -2.219 5.065 -4.183 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.015 3.837 -2.447 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -1.764 3.714 -2.140 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -0.774 2.239 -2.252 1.00 0.00 H new ATOM 827 N GLU A 58 -4.576 0.725 -5.605 1.00 0.00 N ATOM 828 CA GLU A 58 -5.412 -0.472 -5.713 1.00 0.00 C ATOM 829 C GLU A 58 -5.615 -0.872 -7.172 1.00 0.00 C ATOM 830 O GLU A 58 -5.687 -2.059 -7.489 1.00 0.00 O ATOM 831 CB GLU A 58 -6.769 -0.223 -5.055 1.00 0.00 C ATOM 832 CG GLU A 58 -7.433 1.034 -5.659 1.00 0.00 C ATOM 833 CD GLU A 58 -8.469 0.653 -6.714 1.00 0.00 C ATOM 834 OE1 GLU A 58 -8.093 0.033 -7.696 1.00 0.00 O ATOM 835 OE2 GLU A 58 -9.623 1.002 -6.533 1.00 0.00 O ATOM 0 H GLU A 58 -5.018 1.516 -5.136 1.00 0.00 H new ATOM 0 HA GLU A 58 -4.902 -1.287 -5.200 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -7.415 -1.089 -5.199 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.642 -0.095 -3.980 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -7.910 1.613 -4.868 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -6.671 1.673 -6.106 1.00 0.00 H new ATOM 842 N ASP A 59 -5.717 0.117 -8.052 1.00 0.00 N ATOM 843 CA ASP A 59 -5.929 -0.155 -9.470 1.00 0.00 C ATOM 844 C ASP A 59 -4.767 -0.975 -10.032 1.00 0.00 C ATOM 845 O ASP A 59 -4.935 -1.727 -10.993 1.00 0.00 O ATOM 846 CB ASP A 59 -6.046 1.172 -10.244 1.00 0.00 C ATOM 847 CG ASP A 59 -7.460 1.745 -10.121 1.00 0.00 C ATOM 848 OD1 ASP A 59 -8.373 0.984 -9.848 1.00 0.00 O ATOM 849 OD2 ASP A 59 -7.606 2.944 -10.303 1.00 0.00 O ATOM 0 H ASP A 59 -5.657 1.107 -7.813 1.00 0.00 H new ATOM 0 HA ASP A 59 -6.852 -0.724 -9.583 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -5.322 1.890 -9.858 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -5.804 1.009 -11.294 1.00 0.00 H new ATOM 854 N HIS A 60 -3.597 -0.830 -9.418 1.00 0.00 N ATOM 855 CA HIS A 60 -2.424 -1.577 -9.865 1.00 0.00 C ATOM 856 C HIS A 60 -2.543 -3.058 -9.499 1.00 0.00 C ATOM 857 O HIS A 60 -2.098 -3.923 -10.253 1.00 0.00 O ATOM 858 CB HIS A 60 -1.143 -0.975 -9.254 1.00 0.00 C ATOM 859 CG HIS A 60 -0.540 0.018 -10.208 1.00 0.00 C ATOM 860 ND1 HIS A 60 -1.090 1.274 -10.398 1.00 0.00 N ATOM 861 CD2 HIS A 60 0.548 -0.048 -11.035 1.00 0.00 C ATOM 862 CE1 HIS A 60 -0.337 1.910 -11.312 1.00 0.00 C ATOM 863 NE2 HIS A 60 0.678 1.148 -11.734 1.00 0.00 N ATOM 0 H HIS A 60 -3.435 -0.213 -8.622 1.00 0.00 H new ATOM 0 HA HIS A 60 -2.366 -1.501 -10.951 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -1.375 -0.488 -8.307 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -0.426 -1.767 -9.038 1.00 0.00 H new ATOM 0 HD1 HIS A 60 -1.915 1.648 -9.930 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.206 -0.899 -11.131 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -0.528 2.913 -11.663 1.00 0.00 H new ATOM 872 N LEU A 61 -3.137 -3.348 -8.344 1.00 0.00 N ATOM 873 CA LEU A 61 -3.301 -4.733 -7.896 1.00 0.00 C ATOM 874 C LEU A 61 -4.694 -5.244 -8.232 1.00 0.00 C ATOM 875 O LEU A 61 -5.183 -6.170 -7.595 1.00 0.00 O ATOM 876 CB LEU A 61 -3.062 -4.840 -6.382 1.00 0.00 C ATOM 877 CG LEU A 61 -1.762 -4.123 -5.994 1.00 0.00 C ATOM 878 CD1 LEU A 61 -0.626 -4.569 -6.919 1.00 0.00 C ATOM 879 CD2 LEU A 61 -1.952 -2.602 -6.091 1.00 0.00 C ATOM 0 H LEU A 61 -3.512 -2.649 -7.703 1.00 0.00 H new ATOM 0 HA LEU A 61 -2.565 -5.346 -8.417 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -3.902 -4.401 -5.843 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -3.008 -5.889 -6.089 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.506 -4.382 -4.967 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.294 -4.056 -6.638 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.484 -5.646 -6.828 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -0.879 -4.323 -7.950 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.024 -2.101 -5.814 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -2.218 -2.333 -7.113 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -2.748 -2.291 -5.415 1.00 0.00 H new ATOM 891 N ASP A 62 -5.324 -4.655 -9.248 1.00 0.00 N ATOM 892 CA ASP A 62 -6.656 -5.086 -9.661 1.00 0.00 C ATOM 893 C ASP A 62 -7.564 -5.308 -8.462 1.00 0.00 C ATOM 894 O ASP A 62 -8.028 -6.422 -8.223 1.00 0.00 O ATOM 895 CB ASP A 62 -6.546 -6.384 -10.441 1.00 0.00 C ATOM 896 CG ASP A 62 -5.874 -6.125 -11.784 1.00 0.00 C ATOM 897 OD1 ASP A 62 -5.734 -4.965 -12.140 1.00 0.00 O ATOM 898 OD2 ASP A 62 -5.499 -7.086 -12.433 1.00 0.00 O ATOM 0 H ASP A 62 -4.937 -3.886 -9.795 1.00 0.00 H new ATOM 0 HA ASP A 62 -7.087 -4.301 -10.282 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.971 -7.114 -9.871 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -7.537 -6.811 -10.596 1.00 0.00 H new ATOM 903 N VAL A 63 -7.809 -4.246 -7.713 1.00 0.00 N ATOM 904 CA VAL A 63 -8.659 -4.334 -6.534 1.00 0.00 C ATOM 905 C VAL A 63 -9.293 -2.985 -6.240 1.00 0.00 C ATOM 906 O VAL A 63 -8.833 -1.958 -6.729 1.00 0.00 O ATOM 907 CB VAL A 63 -7.832 -4.802 -5.319 1.00 0.00 C ATOM 908 CG1 VAL A 63 -7.623 -6.316 -5.370 1.00 0.00 C ATOM 909 CG2 VAL A 63 -6.453 -4.132 -5.328 1.00 0.00 C ATOM 0 H VAL A 63 -7.434 -3.316 -7.898 1.00 0.00 H new ATOM 0 HA VAL A 63 -9.449 -5.059 -6.727 1.00 0.00 H new ATOM 0 HB VAL A 63 -8.378 -4.529 -4.416 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -7.038 -6.632 -4.506 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -8.591 -6.818 -5.356 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -7.091 -6.579 -6.284 1.00 0.00 H new ATOM 0 HG21 VAL A 63 -5.879 -4.470 -4.466 1.00 0.00 H new ATOM 0 HG22 VAL A 63 -5.925 -4.399 -6.243 1.00 0.00 H new ATOM 0 HG23 VAL A 63 -6.574 -3.050 -5.282 1.00 0.00 H new ATOM 919 N SER A 64 -10.357 -2.991 -5.442 1.00 0.00 N ATOM 920 CA SER A 64 -11.054 -1.754 -5.077 1.00 0.00 C ATOM 921 C SER A 64 -11.027 -1.578 -3.562 1.00 0.00 C ATOM 922 O SER A 64 -11.089 -2.552 -2.815 1.00 0.00 O ATOM 923 CB SER A 64 -12.501 -1.808 -5.567 1.00 0.00 C ATOM 924 OG SER A 64 -13.164 -2.904 -4.953 1.00 0.00 O ATOM 0 H SER A 64 -10.758 -3.836 -5.034 1.00 0.00 H new ATOM 0 HA SER A 64 -10.552 -0.908 -5.546 1.00 0.00 H new ATOM 0 HB2 SER A 64 -13.014 -0.877 -5.326 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.526 -1.914 -6.652 1.00 0.00 H new ATOM 0 HG SER A 64 -14.093 -2.940 -5.264 1.00 0.00 H new ATOM 930 N LEU A 65 -10.921 -0.326 -3.116 1.00 0.00 N ATOM 931 CA LEU A 65 -10.873 -0.024 -1.684 1.00 0.00 C ATOM 932 C LEU A 65 -12.150 0.687 -1.264 1.00 0.00 C ATOM 933 O LEU A 65 -12.852 1.267 -2.095 1.00 0.00 O ATOM 934 CB LEU A 65 -9.677 0.882 -1.381 1.00 0.00 C ATOM 935 CG LEU A 65 -8.446 0.370 -2.119 1.00 0.00 C ATOM 936 CD1 LEU A 65 -7.250 1.296 -1.832 1.00 0.00 C ATOM 937 CD2 LEU A 65 -8.124 -1.056 -1.670 1.00 0.00 C ATOM 0 H LEU A 65 -10.867 0.493 -3.722 1.00 0.00 H new ATOM 0 HA LEU A 65 -10.773 -0.959 -1.132 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.897 1.905 -1.686 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.487 0.903 -0.308 1.00 0.00 H new ATOM 0 HG LEU A 65 -8.646 0.364 -3.191 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -6.370 0.929 -2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -7.482 2.306 -2.171 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -7.050 1.310 -0.761 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -7.243 -1.415 -2.202 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -7.929 -1.064 -0.598 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -8.970 -1.707 -1.890 1.00 0.00 H new ATOM 949 N ASP A 66 -12.450 0.642 0.027 1.00 0.00 N ATOM 950 CA ASP A 66 -13.646 1.291 0.551 1.00 0.00 C ATOM 951 C ASP A 66 -13.291 2.670 1.127 1.00 0.00 C ATOM 952 O ASP A 66 -12.148 2.927 1.482 1.00 0.00 O ATOM 953 CB ASP A 66 -14.267 0.389 1.635 1.00 0.00 C ATOM 954 CG ASP A 66 -15.471 -0.385 1.082 1.00 0.00 C ATOM 955 OD1 ASP A 66 -16.213 0.189 0.299 1.00 0.00 O ATOM 956 OD2 ASP A 66 -15.631 -1.535 1.449 1.00 0.00 O ATOM 0 H ASP A 66 -11.885 0.165 0.729 1.00 0.00 H new ATOM 0 HA ASP A 66 -14.369 1.439 -0.251 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -13.518 -0.312 2.003 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -14.580 0.997 2.484 1.00 0.00 H new ATOM 961 N PRO A 67 -14.249 3.557 1.213 1.00 0.00 N ATOM 962 CA PRO A 67 -14.032 4.944 1.735 1.00 0.00 C ATOM 963 C PRO A 67 -13.485 4.958 3.163 1.00 0.00 C ATOM 964 O PRO A 67 -12.313 5.255 3.386 1.00 0.00 O ATOM 965 CB PRO A 67 -15.433 5.582 1.666 1.00 0.00 C ATOM 966 CG PRO A 67 -16.384 4.432 1.598 1.00 0.00 C ATOM 967 CD PRO A 67 -15.648 3.336 0.837 1.00 0.00 C ATOM 0 HA PRO A 67 -13.284 5.484 1.154 1.00 0.00 H new ATOM 0 HB2 PRO A 67 -15.627 6.202 2.541 1.00 0.00 H new ATOM 0 HB3 PRO A 67 -15.530 6.226 0.792 1.00 0.00 H new ATOM 0 HG2 PRO A 67 -16.664 4.096 2.596 1.00 0.00 H new ATOM 0 HG3 PRO A 67 -17.304 4.714 1.087 1.00 0.00 H new ATOM 0 HD2 PRO A 67 -15.992 2.343 1.126 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -15.795 3.423 -0.239 1.00 0.00 H new ATOM 975 N THR A 68 -14.348 4.644 4.120 1.00 0.00 N ATOM 976 CA THR A 68 -13.948 4.632 5.521 1.00 0.00 C ATOM 977 C THR A 68 -12.840 3.613 5.759 1.00 0.00 C ATOM 978 O THR A 68 -12.128 3.676 6.762 1.00 0.00 O ATOM 979 CB THR A 68 -15.157 4.297 6.398 1.00 0.00 C ATOM 980 OG1 THR A 68 -16.236 5.156 6.061 1.00 0.00 O ATOM 981 CG2 THR A 68 -14.792 4.482 7.869 1.00 0.00 C ATOM 0 H THR A 68 -15.323 4.396 3.954 1.00 0.00 H new ATOM 0 HA THR A 68 -13.569 5.620 5.782 1.00 0.00 H new ATOM 0 HB THR A 68 -15.452 3.261 6.230 1.00 0.00 H new ATOM 0 HG1 THR A 68 -17.012 4.942 6.620 1.00 0.00 H new ATOM 0 HG21 THR A 68 -15.655 4.243 8.491 1.00 0.00 H new ATOM 0 HG22 THR A 68 -13.965 3.819 8.125 1.00 0.00 H new ATOM 0 HG23 THR A 68 -14.495 5.516 8.043 1.00 0.00 H new ATOM 989 N LEU A 69 -12.694 2.683 4.825 1.00 0.00 N ATOM 990 CA LEU A 69 -11.661 1.661 4.932 1.00 0.00 C ATOM 991 C LEU A 69 -10.274 2.264 4.719 1.00 0.00 C ATOM 992 O LEU A 69 -9.324 1.926 5.415 1.00 0.00 O ATOM 993 CB LEU A 69 -11.924 0.554 3.915 1.00 0.00 C ATOM 994 CG LEU A 69 -10.907 -0.586 4.101 1.00 0.00 C ATOM 995 CD1 LEU A 69 -11.453 -1.852 3.438 1.00 0.00 C ATOM 996 CD2 LEU A 69 -9.541 -0.209 3.479 1.00 0.00 C ATOM 0 H LEU A 69 -13.274 2.615 3.989 1.00 0.00 H new ATOM 0 HA LEU A 69 -11.692 1.238 5.936 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.937 0.171 4.036 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -11.853 0.954 2.904 1.00 0.00 H new ATOM 0 HG LEU A 69 -10.757 -0.761 5.166 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -10.739 -2.666 3.564 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -12.401 -2.126 3.901 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.609 -1.668 2.375 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.837 -1.029 3.622 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -9.666 -0.020 2.413 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -9.156 0.688 3.963 1.00 0.00 H new ATOM 1008 N ILE A 70 -10.160 3.169 3.760 1.00 0.00 N ATOM 1009 CA ILE A 70 -8.873 3.799 3.482 1.00 0.00 C ATOM 1010 C ILE A 70 -8.342 4.477 4.738 1.00 0.00 C ATOM 1011 O ILE A 70 -7.151 4.399 5.042 1.00 0.00 O ATOM 1012 CB ILE A 70 -9.023 4.817 2.346 1.00 0.00 C ATOM 1013 CG1 ILE A 70 -9.260 4.075 1.022 1.00 0.00 C ATOM 1014 CG2 ILE A 70 -7.747 5.660 2.234 1.00 0.00 C ATOM 1015 CD1 ILE A 70 -9.885 5.030 0.000 1.00 0.00 C ATOM 0 H ILE A 70 -10.929 3.482 3.167 1.00 0.00 H new ATOM 0 HA ILE A 70 -8.161 3.034 3.173 1.00 0.00 H new ATOM 0 HB ILE A 70 -9.870 5.469 2.558 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -8.317 3.684 0.639 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.917 3.221 1.185 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -7.858 6.382 1.425 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -7.577 6.189 3.172 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.898 5.009 2.025 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.052 4.501 -0.938 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -10.836 5.400 0.382 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -9.212 5.870 -0.172 1.00 0.00 H new ATOM 1027 N TRP A 71 -9.230 5.132 5.471 1.00 0.00 N ATOM 1028 CA TRP A 71 -8.836 5.805 6.700 1.00 0.00 C ATOM 1029 C TRP A 71 -8.627 4.790 7.827 1.00 0.00 C ATOM 1030 O TRP A 71 -8.151 5.142 8.906 1.00 0.00 O ATOM 1031 CB TRP A 71 -9.907 6.814 7.107 1.00 0.00 C ATOM 1032 CG TRP A 71 -9.932 7.938 6.120 1.00 0.00 C ATOM 1033 CD1 TRP A 71 -10.862 8.104 5.153 1.00 0.00 C ATOM 1034 CD2 TRP A 71 -9.000 9.051 5.987 1.00 0.00 C ATOM 1035 NE1 TRP A 71 -10.561 9.247 4.435 1.00 0.00 N ATOM 1036 CE2 TRP A 71 -9.422 9.866 4.910 1.00 0.00 C ATOM 1037 CE3 TRP A 71 -7.840 9.428 6.688 1.00 0.00 C ATOM 1038 CZ2 TRP A 71 -8.720 11.015 4.543 1.00 0.00 C ATOM 1039 CZ3 TRP A 71 -7.132 10.584 6.322 1.00 0.00 C ATOM 1040 CH2 TRP A 71 -7.570 11.374 5.251 1.00 0.00 C ATOM 0 H TRP A 71 -10.220 5.212 5.239 1.00 0.00 H new ATOM 0 HA TRP A 71 -7.896 6.327 6.522 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -10.882 6.329 7.147 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -9.700 7.197 8.106 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -11.703 7.451 4.971 1.00 0.00 H new ATOM 0 HE1 TRP A 71 -11.114 9.591 3.650 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -7.492 8.824 7.513 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 -9.063 11.622 3.718 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 -6.245 10.866 6.869 1.00 0.00 H new ATOM 0 HH2 TRP A 71 -7.019 12.260 4.973 1.00 0.00 H new ATOM 1051 N ASP A 72 -8.982 3.527 7.571 1.00 0.00 N ATOM 1052 CA ASP A 72 -8.819 2.472 8.580 1.00 0.00 C ATOM 1053 C ASP A 72 -7.434 1.842 8.472 1.00 0.00 C ATOM 1054 O ASP A 72 -6.829 1.470 9.478 1.00 0.00 O ATOM 1055 CB ASP A 72 -9.891 1.395 8.398 1.00 0.00 C ATOM 1056 CG ASP A 72 -11.261 1.986 8.706 1.00 0.00 C ATOM 1057 OD1 ASP A 72 -11.303 3.040 9.319 1.00 0.00 O ATOM 1058 OD2 ASP A 72 -12.247 1.379 8.323 1.00 0.00 O ATOM 0 H ASP A 72 -9.379 3.211 6.686 1.00 0.00 H new ATOM 0 HA ASP A 72 -8.928 2.921 9.567 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -9.869 1.013 7.377 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -9.690 0.551 9.058 1.00 0.00 H new ATOM 1063 N HIS A 73 -6.931 1.732 7.238 1.00 0.00 N ATOM 1064 CA HIS A 73 -5.606 1.154 6.992 1.00 0.00 C ATOM 1065 C HIS A 73 -4.695 2.159 6.276 1.00 0.00 C ATOM 1066 O HIS A 73 -4.150 1.866 5.213 1.00 0.00 O ATOM 1067 CB HIS A 73 -5.748 -0.105 6.134 1.00 0.00 C ATOM 1068 CG HIS A 73 -6.863 -0.957 6.674 1.00 0.00 C ATOM 1069 ND1 HIS A 73 -7.165 -1.008 8.026 1.00 0.00 N ATOM 1070 CD2 HIS A 73 -7.762 -1.792 6.057 1.00 0.00 C ATOM 1071 CE1 HIS A 73 -8.208 -1.846 8.175 1.00 0.00 C ATOM 1072 NE2 HIS A 73 -8.610 -2.352 7.007 1.00 0.00 N ATOM 0 H HIS A 73 -7.420 2.035 6.396 1.00 0.00 H new ATOM 0 HA HIS A 73 -5.157 0.901 7.952 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.954 0.169 5.099 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -4.814 -0.666 6.136 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -6.685 -0.503 8.771 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -7.804 -1.985 4.995 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -8.665 -2.081 9.125 1.00 0.00 H new ATOM 1081 N PRO A 74 -4.515 3.325 6.847 1.00 0.00 N ATOM 1082 CA PRO A 74 -3.644 4.393 6.268 1.00 0.00 C ATOM 1083 C PRO A 74 -2.162 4.063 6.411 1.00 0.00 C ATOM 1084 O PRO A 74 -1.301 4.833 5.988 1.00 0.00 O ATOM 1085 CB PRO A 74 -4.008 5.635 7.093 1.00 0.00 C ATOM 1086 CG PRO A 74 -4.446 5.091 8.414 1.00 0.00 C ATOM 1087 CD PRO A 74 -5.133 3.760 8.109 1.00 0.00 C ATOM 0 HA PRO A 74 -3.804 4.521 5.197 1.00 0.00 H new ATOM 0 HB2 PRO A 74 -3.154 6.303 7.202 1.00 0.00 H new ATOM 0 HB3 PRO A 74 -4.803 6.209 6.617 1.00 0.00 H new ATOM 0 HG2 PRO A 74 -3.595 4.948 9.080 1.00 0.00 H new ATOM 0 HG3 PRO A 74 -5.129 5.778 8.913 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -4.969 3.034 8.905 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -6.211 3.881 8.005 1.00 0.00 H new ATOM 1095 N THR A 75 -1.876 2.913 7.011 1.00 0.00 N ATOM 1096 CA THR A 75 -0.489 2.479 7.212 1.00 0.00 C ATOM 1097 C THR A 75 -0.182 1.250 6.365 1.00 0.00 C ATOM 1098 O THR A 75 -1.080 0.492 5.995 1.00 0.00 O ATOM 1099 CB THR A 75 -0.251 2.155 8.690 1.00 0.00 C ATOM 1100 OG1 THR A 75 -1.300 1.327 9.170 1.00 0.00 O ATOM 1101 CG2 THR A 75 -0.211 3.454 9.497 1.00 0.00 C ATOM 0 H THR A 75 -2.578 2.264 7.367 1.00 0.00 H new ATOM 0 HA THR A 75 0.172 3.290 6.906 1.00 0.00 H new ATOM 0 HB THR A 75 0.699 1.632 8.799 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.146 1.119 10.115 1.00 0.00 H new ATOM 0 HG21 THR A 75 -0.042 3.224 10.549 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.597 4.086 9.129 1.00 0.00 H new ATOM 0 HG23 THR A 75 -1.160 3.979 9.389 1.00 0.00 H new ATOM 1109 N ILE A 76 1.102 1.060 6.073 1.00 0.00 N ATOM 1110 CA ILE A 76 1.540 -0.080 5.277 1.00 0.00 C ATOM 1111 C ILE A 76 1.281 -1.378 6.028 1.00 0.00 C ATOM 1112 O ILE A 76 0.850 -2.367 5.445 1.00 0.00 O ATOM 1113 CB ILE A 76 3.034 0.038 4.938 1.00 0.00 C ATOM 1114 CG1 ILE A 76 3.231 1.231 3.989 1.00 0.00 C ATOM 1115 CG2 ILE A 76 3.531 -1.253 4.260 1.00 0.00 C ATOM 1116 CD1 ILE A 76 4.671 1.281 3.463 1.00 0.00 C ATOM 0 H ILE A 76 1.854 1.679 6.375 1.00 0.00 H new ATOM 0 HA ILE A 76 0.971 -0.087 4.348 1.00 0.00 H new ATOM 0 HB ILE A 76 3.605 0.190 5.854 1.00 0.00 H new ATOM 0 HG12 ILE A 76 2.537 1.154 3.152 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.998 2.159 4.512 1.00 0.00 H new ATOM 0 HG21 ILE A 76 4.591 -1.156 4.025 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.384 -2.097 4.934 1.00 0.00 H new ATOM 0 HG23 ILE A 76 2.970 -1.421 3.341 1.00 0.00 H new ATOM 0 HD11 ILE A 76 4.785 2.134 2.794 1.00 0.00 H new ATOM 0 HD12 ILE A 76 5.361 1.383 4.301 1.00 0.00 H new ATOM 0 HD13 ILE A 76 4.892 0.362 2.920 1.00 0.00 H new ATOM 1128 N ASP A 77 1.572 -1.373 7.319 1.00 0.00 N ATOM 1129 CA ASP A 77 1.390 -2.569 8.128 1.00 0.00 C ATOM 1130 C ASP A 77 -0.025 -3.107 7.971 1.00 0.00 C ATOM 1131 O ASP A 77 -0.223 -4.299 7.724 1.00 0.00 O ATOM 1132 CB ASP A 77 1.651 -2.240 9.599 1.00 0.00 C ATOM 1133 CG ASP A 77 1.412 -3.473 10.461 1.00 0.00 C ATOM 1134 OD1 ASP A 77 1.582 -4.569 9.954 1.00 0.00 O ATOM 1135 OD2 ASP A 77 1.065 -3.304 11.619 1.00 0.00 O ATOM 0 H ASP A 77 1.931 -0.564 7.826 1.00 0.00 H new ATOM 0 HA ASP A 77 2.095 -3.329 7.792 1.00 0.00 H new ATOM 0 HB2 ASP A 77 2.676 -1.891 9.725 1.00 0.00 H new ATOM 0 HB3 ASP A 77 0.997 -1.430 9.920 1.00 0.00 H new ATOM 1140 N ALA A 78 -1.007 -2.224 8.103 1.00 0.00 N ATOM 1141 CA ALA A 78 -2.398 -2.628 7.967 1.00 0.00 C ATOM 1142 C ALA A 78 -2.724 -2.987 6.521 1.00 0.00 C ATOM 1143 O ALA A 78 -3.359 -4.007 6.253 1.00 0.00 O ATOM 1144 CB ALA A 78 -3.316 -1.494 8.423 1.00 0.00 C ATOM 0 H ALA A 78 -0.867 -1.233 8.302 1.00 0.00 H new ATOM 0 HA ALA A 78 -2.557 -3.507 8.591 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -4.356 -1.803 8.318 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -3.111 -1.257 9.467 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -3.137 -0.611 7.809 1.00 0.00 H new ATOM 1150 N LEU A 79 -2.311 -2.129 5.593 1.00 0.00 N ATOM 1151 CA LEU A 79 -2.597 -2.365 4.184 1.00 0.00 C ATOM 1152 C LEU A 79 -1.950 -3.667 3.722 1.00 0.00 C ATOM 1153 O LEU A 79 -2.579 -4.470 3.038 1.00 0.00 O ATOM 1154 CB LEU A 79 -2.060 -1.189 3.344 1.00 0.00 C ATOM 1155 CG LEU A 79 -2.976 -0.914 2.132 1.00 0.00 C ATOM 1156 CD1 LEU A 79 -3.255 -2.207 1.347 1.00 0.00 C ATOM 1157 CD2 LEU A 79 -4.316 -0.309 2.615 1.00 0.00 C ATOM 0 H LEU A 79 -1.785 -1.277 5.788 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.676 -2.444 4.051 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.992 -0.295 3.964 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.051 -1.414 2.999 1.00 0.00 H new ATOM 0 HG LEU A 79 -2.467 -0.210 1.474 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -3.902 -1.985 0.499 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -2.315 -2.624 0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -3.746 -2.930 1.999 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -4.959 -0.117 1.756 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -4.810 -1.010 3.288 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -4.124 0.626 3.141 1.00 0.00 H new ATOM 1169 N SER A 80 -0.691 -3.858 4.093 1.00 0.00 N ATOM 1170 CA SER A 80 0.032 -5.062 3.703 1.00 0.00 C ATOM 1171 C SER A 80 -0.668 -6.296 4.254 1.00 0.00 C ATOM 1172 O SER A 80 -0.893 -7.261 3.530 1.00 0.00 O ATOM 1173 CB SER A 80 1.462 -5.003 4.237 1.00 0.00 C ATOM 1174 OG SER A 80 1.429 -4.885 5.652 1.00 0.00 O ATOM 0 H SER A 80 -0.153 -3.202 4.658 1.00 0.00 H new ATOM 0 HA SER A 80 0.054 -5.122 2.615 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.008 -5.901 3.948 1.00 0.00 H new ATOM 0 HB3 SER A 80 1.990 -4.155 3.802 1.00 0.00 H new ATOM 0 HG SER A 80 1.327 -3.942 5.899 1.00 0.00 H new ATOM 1180 N THR A 81 -1.013 -6.251 5.539 1.00 0.00 N ATOM 1181 CA THR A 81 -1.684 -7.376 6.177 1.00 0.00 C ATOM 1182 C THR A 81 -2.966 -7.711 5.419 1.00 0.00 C ATOM 1183 O THR A 81 -3.298 -8.879 5.200 1.00 0.00 O ATOM 1184 CB THR A 81 -2.016 -7.032 7.631 1.00 0.00 C ATOM 1185 OG1 THR A 81 -0.811 -6.824 8.352 1.00 0.00 O ATOM 1186 CG2 THR A 81 -2.806 -8.181 8.265 1.00 0.00 C ATOM 0 H THR A 81 -0.840 -5.455 6.152 1.00 0.00 H new ATOM 0 HA THR A 81 -1.021 -8.241 6.160 1.00 0.00 H new ATOM 0 HB THR A 81 -2.619 -6.124 7.662 1.00 0.00 H new ATOM 0 HG1 THR A 81 -0.447 -5.941 8.133 1.00 0.00 H new ATOM 0 HG21 THR A 81 -3.041 -7.933 9.300 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.731 -8.336 7.710 1.00 0.00 H new ATOM 0 HG23 THR A 81 -2.209 -9.092 8.237 1.00 0.00 H new ATOM 1194 N ALA A 82 -3.685 -6.680 5.018 1.00 0.00 N ATOM 1195 CA ALA A 82 -4.919 -6.884 4.278 1.00 0.00 C ATOM 1196 C ALA A 82 -4.633 -7.432 2.880 1.00 0.00 C ATOM 1197 O ALA A 82 -5.340 -8.323 2.391 1.00 0.00 O ATOM 1198 CB ALA A 82 -5.681 -5.562 4.160 1.00 0.00 C ATOM 0 H ALA A 82 -3.442 -5.704 5.188 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.524 -7.610 4.821 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.605 -5.723 3.604 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -5.917 -5.188 5.156 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.064 -4.832 3.635 1.00 0.00 H new ATOM 1204 N LEU A 83 -3.596 -6.899 2.227 1.00 0.00 N ATOM 1205 CA LEU A 83 -3.259 -7.338 0.879 1.00 0.00 C ATOM 1206 C LEU A 83 -2.884 -8.819 0.867 1.00 0.00 C ATOM 1207 O LEU A 83 -3.414 -9.590 0.070 1.00 0.00 O ATOM 1208 CB LEU A 83 -2.092 -6.484 0.343 1.00 0.00 C ATOM 1209 CG LEU A 83 -2.236 -6.276 -1.167 1.00 0.00 C ATOM 1210 CD1 LEU A 83 -1.058 -5.440 -1.678 1.00 0.00 C ATOM 1211 CD2 LEU A 83 -2.268 -7.638 -1.866 1.00 0.00 C ATOM 0 H LEU A 83 -2.987 -6.174 2.607 1.00 0.00 H new ATOM 0 HA LEU A 83 -4.129 -7.209 0.236 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -2.076 -5.519 0.850 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -1.143 -6.975 0.561 1.00 0.00 H new ATOM 0 HG LEU A 83 -3.164 -5.747 -1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -1.157 -5.290 -2.753 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -1.053 -4.473 -1.176 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -0.124 -5.962 -1.469 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -2.371 -7.493 -2.941 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -1.342 -8.175 -1.659 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -3.114 -8.217 -1.496 1.00 0.00 H new ATOM 1223 N VAL A 84 -1.979 -9.216 1.755 1.00 0.00 N ATOM 1224 CA VAL A 84 -1.570 -10.612 1.824 1.00 0.00 C ATOM 1225 C VAL A 84 -2.773 -11.475 2.182 1.00 0.00 C ATOM 1226 O VAL A 84 -2.883 -12.615 1.734 1.00 0.00 O ATOM 1227 CB VAL A 84 -0.461 -10.781 2.866 1.00 0.00 C ATOM 1228 CG1 VAL A 84 -0.994 -10.404 4.244 1.00 0.00 C ATOM 1229 CG2 VAL A 84 0.027 -12.233 2.893 1.00 0.00 C ATOM 0 H VAL A 84 -1.521 -8.601 2.427 1.00 0.00 H new ATOM 0 HA VAL A 84 -1.183 -10.926 0.855 1.00 0.00 H new ATOM 0 HB VAL A 84 0.372 -10.130 2.600 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -0.204 -10.525 4.985 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -1.327 -9.366 4.234 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -1.833 -11.051 4.499 1.00 0.00 H new ATOM 0 HG21 VAL A 84 0.815 -12.338 3.638 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.804 -12.891 3.148 1.00 0.00 H new ATOM 0 HG23 VAL A 84 0.417 -12.504 1.912 1.00 0.00 H new ATOM 1239 N ALA A 85 -3.680 -10.924 2.987 1.00 0.00 N ATOM 1240 CA ALA A 85 -4.871 -11.666 3.379 1.00 0.00 C ATOM 1241 C ALA A 85 -5.658 -12.080 2.139 1.00 0.00 C ATOM 1242 O ALA A 85 -6.232 -13.168 2.092 1.00 0.00 O ATOM 1243 CB ALA A 85 -5.751 -10.807 4.287 1.00 0.00 C ATOM 0 H ALA A 85 -3.613 -9.982 3.374 1.00 0.00 H new ATOM 0 HA ALA A 85 -4.565 -12.559 3.924 1.00 0.00 H new ATOM 0 HB1 ALA A 85 -6.638 -11.372 4.574 1.00 0.00 H new ATOM 0 HB2 ALA A 85 -5.192 -10.531 5.181 1.00 0.00 H new ATOM 0 HB3 ALA A 85 -6.052 -9.905 3.755 1.00 0.00 H new