USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 401 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 728 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 731 THR OG1 : rot 180:sc= -1.18 USER MOD Single : A 703 ASN : amide:sc= -0.289 K(o=-0.29,f=-1.6!) USER MOD Single : A 708 GLN : amide:sc= -0.642 K(o=-0.64,f=-1.6!) USER MOD Single : A 709 THR OG1 : rot 180:sc= 0 USER MOD Single : A 713 SER OG : rot 180:sc= 0 USER MOD Single : A 714 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 717 TYR OH : rot 180:sc= 0 USER MOD Single : A 718 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.072) USER MOD Single : A 720 TYR OH : rot 180:sc= 0 USER MOD Single : A 725 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 730 SER OG : rot 180:sc= 0 USER MOD Single : A 737 HIS : no HE2:sc= -0.278 K(o=-0.28,f=-1.9!) USER MOD Single : A 738 SER OG : rot 180:sc= 0 USER MOD Single : A 739 THR OG1 : rot 115:sc= -1.62 USER MOD Single : A 740 CYS SG : rot 180:sc= -0.105 USER MOD Single : A 741 GLN : amide:sc= -0.124 K(o=-0.12,f=-0.97) USER MOD Single : A 742 THR OG1 : rot 180:sc= 0 USER MOD Single : A 744 SER OG : rot 32:sc= 0.243 USER MOD Single : A 748 GLN : amide:sc= -0.0331 K(o=-0.033,f=-1.3) USER MOD Single : A 751 THR OG1 : rot -160:sc= 0 USER MOD Single : A 752 THR OG1 : rot 49:sc= 0.0767 USER MOD ----------------------------------------------------------------- ATOM 216 N ASN A 703 10.104 -0.985 3.332 1.00 0.00 N ATOM 217 CA ASN A 703 9.422 -0.402 2.183 1.00 0.00 C ATOM 218 C ASN A 703 9.401 -1.377 1.010 1.00 0.00 C ATOM 219 O ASN A 703 9.481 -0.970 -0.149 1.00 0.00 O ATOM 220 CB ASN A 703 10.105 0.902 1.765 1.00 0.00 C ATOM 221 CG ASN A 703 11.599 0.734 1.568 1.00 0.00 C ATOM 222 OD1 ASN A 703 12.045 -0.147 0.832 1.00 0.00 O ATOM 223 ND2 ASN A 703 12.382 1.580 2.227 1.00 0.00 N ATOM 0 HA ASN A 703 8.393 -0.188 2.473 1.00 0.00 H new ATOM 0 HB2 ASN A 703 9.657 1.263 0.839 1.00 0.00 H new ATOM 0 HB3 ASN A 703 9.925 1.663 2.524 1.00 0.00 H new ATOM 0 HD21 ASN A 703 13.396 1.515 2.134 1.00 0.00 H new ATOM 0 HD22 ASN A 703 11.970 2.295 2.826 1.00 0.00 H new ATOM 230 N GLU A 704 9.293 -2.665 1.320 1.00 0.00 N ATOM 231 CA GLU A 704 9.262 -3.698 0.291 1.00 0.00 C ATOM 232 C GLU A 704 7.844 -3.899 -0.236 1.00 0.00 C ATOM 233 O GLU A 704 7.595 -3.794 -1.437 1.00 0.00 O ATOM 234 CB GLU A 704 9.805 -5.017 0.845 1.00 0.00 C ATOM 235 CG GLU A 704 9.756 -6.162 -0.153 1.00 0.00 C ATOM 236 CD GLU A 704 10.803 -6.031 -1.242 1.00 0.00 C ATOM 237 OE1 GLU A 704 11.927 -5.581 -0.933 1.00 0.00 O ATOM 238 OE2 GLU A 704 10.500 -6.379 -2.402 1.00 0.00 O ATOM 0 H GLU A 704 9.226 -3.018 2.275 1.00 0.00 H new ATOM 0 HA GLU A 704 9.894 -3.372 -0.535 1.00 0.00 H new ATOM 0 HB2 GLU A 704 10.836 -4.870 1.166 1.00 0.00 H new ATOM 0 HB3 GLU A 704 9.232 -5.293 1.730 1.00 0.00 H new ATOM 0 HG2 GLU A 704 9.901 -7.105 0.374 1.00 0.00 H new ATOM 0 HG3 GLU A 704 8.766 -6.200 -0.608 1.00 0.00 H new ATOM 245 N LEU A 705 6.918 -4.190 0.672 1.00 0.00 N ATOM 246 CA LEU A 705 5.525 -4.407 0.300 1.00 0.00 C ATOM 247 C LEU A 705 4.934 -3.160 -0.350 1.00 0.00 C ATOM 248 O LEU A 705 3.864 -3.213 -0.958 1.00 0.00 O ATOM 249 CB LEU A 705 4.702 -4.792 1.531 1.00 0.00 C ATOM 250 CG LEU A 705 3.187 -4.853 1.334 1.00 0.00 C ATOM 251 CD1 LEU A 705 2.821 -5.948 0.345 1.00 0.00 C ATOM 252 CD2 LEU A 705 2.485 -5.077 2.665 1.00 0.00 C ATOM 0 H LEU A 705 7.107 -4.281 1.670 1.00 0.00 H new ATOM 0 HA LEU A 705 5.491 -5.222 -0.423 1.00 0.00 H new ATOM 0 HB2 LEU A 705 5.042 -5.767 1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 705 4.916 -4.076 2.325 1.00 0.00 H new ATOM 0 HG LEU A 705 2.854 -3.898 0.927 1.00 0.00 H new ATOM 0 HD11 LEU A 705 1.739 -5.976 0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 705 3.294 -5.744 -0.615 1.00 0.00 H new ATOM 0 HD13 LEU A 705 3.167 -6.910 0.723 1.00 0.00 H new ATOM 0 HD21 LEU A 705 1.407 -5.118 2.506 1.00 0.00 H new ATOM 0 HD22 LEU A 705 2.823 -6.017 3.101 1.00 0.00 H new ATOM 0 HD23 LEU A 705 2.721 -4.257 3.343 1.00 0.00 H new ATOM 264 N ILE A 706 5.638 -2.041 -0.220 1.00 0.00 N ATOM 265 CA ILE A 706 5.185 -0.782 -0.799 1.00 0.00 C ATOM 266 C ILE A 706 5.190 -0.844 -2.322 1.00 0.00 C ATOM 267 O ILE A 706 6.248 -0.873 -2.949 1.00 0.00 O ATOM 268 CB ILE A 706 6.064 0.397 -0.341 1.00 0.00 C ATOM 269 CG1 ILE A 706 5.817 0.702 1.138 1.00 0.00 C ATOM 270 CG2 ILE A 706 5.788 1.626 -1.194 1.00 0.00 C ATOM 271 CD1 ILE A 706 5.528 -0.529 1.969 1.00 0.00 C ATOM 0 H ILE A 706 6.524 -1.980 0.281 1.00 0.00 H new ATOM 0 HA ILE A 706 4.166 -0.622 -0.448 1.00 0.00 H new ATOM 0 HB ILE A 706 7.111 0.120 -0.465 1.00 0.00 H new ATOM 0 HG12 ILE A 706 6.691 1.209 1.547 1.00 0.00 H new ATOM 0 HG13 ILE A 706 4.978 1.393 1.223 1.00 0.00 H new ATOM 0 HG21 ILE A 706 6.417 2.451 -0.858 1.00 0.00 H new ATOM 0 HG22 ILE A 706 6.010 1.402 -2.237 1.00 0.00 H new ATOM 0 HG23 ILE A 706 4.739 1.907 -1.098 1.00 0.00 H new ATOM 0 HD11 ILE A 706 5.363 -0.237 3.006 1.00 0.00 H new ATOM 0 HD12 ILE A 706 4.637 -1.026 1.586 1.00 0.00 H new ATOM 0 HD13 ILE A 706 6.376 -1.212 1.915 1.00 0.00 H new ATOM 283 N GLY A 707 3.999 -0.862 -2.912 1.00 0.00 N ATOM 284 CA GLY A 707 3.888 -0.918 -4.358 1.00 0.00 C ATOM 285 C GLY A 707 3.179 -2.169 -4.837 1.00 0.00 C ATOM 286 O GLY A 707 2.799 -2.266 -6.004 1.00 0.00 O ATOM 0 H GLY A 707 3.109 -0.839 -2.415 1.00 0.00 H new ATOM 0 HA2 GLY A 707 3.348 -0.040 -4.712 1.00 0.00 H new ATOM 0 HA3 GLY A 707 4.885 -0.878 -4.798 1.00 0.00 H new ATOM 290 N GLN A 708 3.003 -3.129 -3.936 1.00 0.00 N ATOM 291 CA GLN A 708 2.337 -4.382 -4.274 1.00 0.00 C ATOM 292 C GLN A 708 0.826 -4.191 -4.350 1.00 0.00 C ATOM 293 O GLN A 708 0.289 -3.194 -3.866 1.00 0.00 O ATOM 294 CB GLN A 708 2.676 -5.459 -3.243 1.00 0.00 C ATOM 295 CG GLN A 708 4.169 -5.633 -3.013 1.00 0.00 C ATOM 296 CD GLN A 708 4.966 -5.599 -4.302 1.00 0.00 C ATOM 297 OE1 GLN A 708 4.508 -6.076 -5.341 1.00 0.00 O ATOM 298 NE2 GLN A 708 6.166 -5.034 -4.242 1.00 0.00 N ATOM 0 H GLN A 708 3.312 -3.064 -2.966 1.00 0.00 H new ATOM 0 HA GLN A 708 2.694 -4.702 -5.253 1.00 0.00 H new ATOM 0 HB2 GLN A 708 2.198 -5.207 -2.296 1.00 0.00 H new ATOM 0 HB3 GLN A 708 2.254 -6.409 -3.570 1.00 0.00 H new ATOM 0 HG2 GLN A 708 4.525 -4.845 -2.349 1.00 0.00 H new ATOM 0 HG3 GLN A 708 4.346 -6.581 -2.505 1.00 0.00 H new ATOM 0 HE21 GLN A 708 6.506 -4.651 -3.360 1.00 0.00 H new ATOM 0 HE22 GLN A 708 6.748 -4.983 -5.078 1.00 0.00 H new ATOM 307 N THR A 709 0.143 -5.155 -4.961 1.00 0.00 N ATOM 308 CA THR A 709 -1.307 -5.093 -5.101 1.00 0.00 C ATOM 309 C THR A 709 -1.999 -5.941 -4.040 1.00 0.00 C ATOM 310 O THR A 709 -1.937 -7.170 -4.076 1.00 0.00 O ATOM 311 CB THR A 709 -1.756 -5.568 -6.496 1.00 0.00 C ATOM 312 OG1 THR A 709 -1.267 -4.672 -7.500 1.00 0.00 O ATOM 313 CG2 THR A 709 -3.274 -5.649 -6.576 1.00 0.00 C ATOM 0 H THR A 709 0.571 -5.987 -5.366 1.00 0.00 H new ATOM 0 HA THR A 709 -1.593 -4.049 -4.970 1.00 0.00 H new ATOM 0 HB THR A 709 -1.345 -6.563 -6.667 1.00 0.00 H new ATOM 0 HG1 THR A 709 -1.555 -4.982 -8.384 1.00 0.00 H new ATOM 0 HG21 THR A 709 -3.568 -5.986 -7.570 1.00 0.00 H new ATOM 0 HG22 THR A 709 -3.641 -6.354 -5.830 1.00 0.00 H new ATOM 0 HG23 THR A 709 -3.701 -4.665 -6.386 1.00 0.00 H new ATOM 321 N VAL A 710 -2.658 -5.277 -3.096 1.00 0.00 N ATOM 322 CA VAL A 710 -3.364 -5.971 -2.025 1.00 0.00 C ATOM 323 C VAL A 710 -4.871 -5.768 -2.139 1.00 0.00 C ATOM 324 O VAL A 710 -5.333 -4.762 -2.677 1.00 0.00 O ATOM 325 CB VAL A 710 -2.895 -5.488 -0.640 1.00 0.00 C ATOM 326 CG1 VAL A 710 -1.392 -5.669 -0.492 1.00 0.00 C ATOM 327 CG2 VAL A 710 -3.290 -4.036 -0.420 1.00 0.00 C ATOM 0 H VAL A 710 -2.718 -4.260 -3.051 1.00 0.00 H new ATOM 0 HA VAL A 710 -3.135 -7.032 -2.129 1.00 0.00 H new ATOM 0 HB VAL A 710 -3.386 -6.093 0.122 1.00 0.00 H new ATOM 0 HG11 VAL A 710 -1.079 -5.322 0.493 1.00 0.00 H new ATOM 0 HG12 VAL A 710 -1.140 -6.724 -0.602 1.00 0.00 H new ATOM 0 HG13 VAL A 710 -0.879 -5.091 -1.260 1.00 0.00 H new ATOM 0 HG21 VAL A 710 -2.951 -3.712 0.564 1.00 0.00 H new ATOM 0 HG22 VAL A 710 -2.829 -3.413 -1.187 1.00 0.00 H new ATOM 0 HG23 VAL A 710 -4.374 -3.941 -0.479 1.00 0.00 H new ATOM 337 N ARG A 711 -5.632 -6.731 -1.628 1.00 0.00 N ATOM 338 CA ARG A 711 -7.088 -6.658 -1.673 1.00 0.00 C ATOM 339 C ARG A 711 -7.680 -6.764 -0.271 1.00 0.00 C ATOM 340 O ARG A 711 -7.574 -7.803 0.382 1.00 0.00 O ATOM 341 CB ARG A 711 -7.648 -7.771 -2.560 1.00 0.00 C ATOM 342 CG ARG A 711 -9.167 -7.805 -2.609 1.00 0.00 C ATOM 343 CD ARG A 711 -9.685 -9.215 -2.842 1.00 0.00 C ATOM 344 NE ARG A 711 -11.125 -9.235 -3.089 1.00 0.00 N ATOM 345 CZ ARG A 711 -11.685 -8.784 -4.205 1.00 0.00 C ATOM 346 NH1 ARG A 711 -10.932 -8.281 -5.173 1.00 0.00 N ATOM 347 NH2 ARG A 711 -13.003 -8.836 -4.356 1.00 0.00 N ATOM 0 H ARG A 711 -5.265 -7.570 -1.179 1.00 0.00 H new ATOM 0 HA ARG A 711 -7.366 -5.692 -2.095 1.00 0.00 H new ATOM 0 HB2 ARG A 711 -7.263 -7.646 -3.572 1.00 0.00 H new ATOM 0 HB3 ARG A 711 -7.283 -8.732 -2.197 1.00 0.00 H new ATOM 0 HG2 ARG A 711 -9.571 -7.418 -1.674 1.00 0.00 H new ATOM 0 HG3 ARG A 711 -9.521 -7.150 -3.405 1.00 0.00 H new ATOM 0 HD2 ARG A 711 -9.165 -9.656 -3.692 1.00 0.00 H new ATOM 0 HD3 ARG A 711 -9.457 -9.833 -1.973 1.00 0.00 H new ATOM 0 HE ARG A 711 -11.733 -9.616 -2.364 1.00 0.00 H new ATOM 0 HH11 ARG A 711 -9.919 -8.240 -5.062 1.00 0.00 H new ATOM 0 HH12 ARG A 711 -11.366 -7.935 -6.029 1.00 0.00 H new ATOM 0 HH21 ARG A 711 -13.586 -9.223 -3.614 1.00 0.00 H new ATOM 0 HH22 ARG A 711 -13.432 -8.489 -5.214 1.00 0.00 H new ATOM 361 N ILE A 712 -8.303 -5.682 0.185 1.00 0.00 N ATOM 362 CA ILE A 712 -8.913 -5.654 1.509 1.00 0.00 C ATOM 363 C ILE A 712 -9.935 -6.774 1.668 1.00 0.00 C ATOM 364 O ILE A 712 -10.776 -6.989 0.795 1.00 0.00 O ATOM 365 CB ILE A 712 -9.601 -4.304 1.783 1.00 0.00 C ATOM 366 CG1 ILE A 712 -8.580 -3.165 1.724 1.00 0.00 C ATOM 367 CG2 ILE A 712 -10.296 -4.329 3.136 1.00 0.00 C ATOM 368 CD1 ILE A 712 -9.172 -1.846 1.278 1.00 0.00 C ATOM 0 H ILE A 712 -8.399 -4.814 -0.342 1.00 0.00 H new ATOM 0 HA ILE A 712 -8.108 -5.796 2.230 1.00 0.00 H new ATOM 0 HB ILE A 712 -10.353 -4.133 1.013 1.00 0.00 H new ATOM 0 HG12 ILE A 712 -8.132 -3.038 2.709 1.00 0.00 H new ATOM 0 HG13 ILE A 712 -7.777 -3.443 1.042 1.00 0.00 H new ATOM 0 HG21 ILE A 712 -10.778 -3.368 3.315 1.00 0.00 H new ATOM 0 HG22 ILE A 712 -11.047 -5.119 3.145 1.00 0.00 H new ATOM 0 HG23 ILE A 712 -9.562 -4.519 3.919 1.00 0.00 H new ATOM 0 HD11 ILE A 712 -8.392 -1.085 1.259 1.00 0.00 H new ATOM 0 HD12 ILE A 712 -9.595 -1.956 0.280 1.00 0.00 H new ATOM 0 HD13 ILE A 712 -9.956 -1.545 1.973 1.00 0.00 H new ATOM 380 N SER A 713 -9.857 -7.485 2.788 1.00 0.00 N ATOM 381 CA SER A 713 -10.775 -8.585 3.061 1.00 0.00 C ATOM 382 C SER A 713 -11.769 -8.205 4.154 1.00 0.00 C ATOM 383 O SER A 713 -12.897 -8.696 4.179 1.00 0.00 O ATOM 384 CB SER A 713 -9.996 -9.835 3.476 1.00 0.00 C ATOM 385 OG SER A 713 -10.858 -10.809 4.038 1.00 0.00 O ATOM 0 H SER A 713 -9.168 -7.319 3.521 1.00 0.00 H new ATOM 0 HA SER A 713 -11.331 -8.798 2.148 1.00 0.00 H new ATOM 0 HB2 SER A 713 -9.485 -10.254 2.609 1.00 0.00 H new ATOM 0 HB3 SER A 713 -9.227 -9.565 4.199 1.00 0.00 H new ATOM 0 HG SER A 713 -10.337 -11.599 4.294 1.00 0.00 H new ATOM 391 N GLN A 714 -11.340 -7.327 5.056 1.00 0.00 N ATOM 392 CA GLN A 714 -12.192 -6.882 6.152 1.00 0.00 C ATOM 393 C GLN A 714 -12.548 -5.406 6.000 1.00 0.00 C ATOM 394 O GLN A 714 -12.133 -4.753 5.044 1.00 0.00 O ATOM 395 CB GLN A 714 -11.497 -7.115 7.494 1.00 0.00 C ATOM 396 CG GLN A 714 -11.105 -8.565 7.732 1.00 0.00 C ATOM 397 CD GLN A 714 -12.224 -9.377 8.355 1.00 0.00 C ATOM 398 OE1 GLN A 714 -12.483 -9.279 9.554 1.00 0.00 O ATOM 399 NE2 GLN A 714 -12.893 -10.185 7.541 1.00 0.00 N ATOM 0 H GLN A 714 -10.409 -6.911 5.049 1.00 0.00 H new ATOM 0 HA GLN A 714 -13.113 -7.465 6.122 1.00 0.00 H new ATOM 0 HB2 GLN A 714 -10.603 -6.493 7.544 1.00 0.00 H new ATOM 0 HB3 GLN A 714 -12.158 -6.789 8.297 1.00 0.00 H new ATOM 0 HG2 GLN A 714 -10.815 -9.019 6.784 1.00 0.00 H new ATOM 0 HG3 GLN A 714 -10.231 -8.599 8.382 1.00 0.00 H new ATOM 0 HE21 GLN A 714 -12.644 -10.234 6.553 1.00 0.00 H new ATOM 0 HE22 GLN A 714 -13.656 -10.756 7.904 1.00 0.00 H new ATOM 408 N GLY A 715 -13.319 -4.887 6.951 1.00 0.00 N ATOM 409 CA GLY A 715 -13.718 -3.493 6.903 1.00 0.00 C ATOM 410 C GLY A 715 -14.818 -3.238 5.892 1.00 0.00 C ATOM 411 O GLY A 715 -15.302 -4.153 5.225 1.00 0.00 O ATOM 0 H GLY A 715 -13.674 -5.407 7.753 1.00 0.00 H new ATOM 0 HA2 GLY A 715 -14.058 -3.182 7.891 1.00 0.00 H new ATOM 0 HA3 GLY A 715 -12.852 -2.879 6.655 1.00 0.00 H new ATOM 415 N PRO A 716 -15.232 -1.968 5.770 1.00 0.00 N ATOM 416 CA PRO A 716 -16.288 -1.567 4.836 1.00 0.00 C ATOM 417 C PRO A 716 -15.844 -1.665 3.381 1.00 0.00 C ATOM 418 O PRO A 716 -16.659 -1.563 2.464 1.00 0.00 O ATOM 419 CB PRO A 716 -16.560 -0.109 5.214 1.00 0.00 C ATOM 420 CG PRO A 716 -15.291 0.366 5.832 1.00 0.00 C ATOM 421 CD PRO A 716 -14.700 -0.826 6.533 1.00 0.00 C ATOM 0 HA PRO A 716 -17.163 -2.212 4.910 1.00 0.00 H new ATOM 0 HB2 PRO A 716 -16.820 0.485 4.338 1.00 0.00 H new ATOM 0 HB3 PRO A 716 -17.394 -0.030 5.912 1.00 0.00 H new ATOM 0 HG2 PRO A 716 -14.608 0.751 5.075 1.00 0.00 H new ATOM 0 HG3 PRO A 716 -15.479 1.178 6.534 1.00 0.00 H new ATOM 0 HD2 PRO A 716 -13.610 -0.803 6.515 1.00 0.00 H new ATOM 0 HD3 PRO A 716 -15.001 -0.867 7.580 1.00 0.00 H new ATOM 429 N TYR A 717 -14.547 -1.866 3.176 1.00 0.00 N ATOM 430 CA TYR A 717 -13.994 -1.977 1.831 1.00 0.00 C ATOM 431 C TYR A 717 -13.596 -3.417 1.522 1.00 0.00 C ATOM 432 O TYR A 717 -12.611 -3.667 0.827 1.00 0.00 O ATOM 433 CB TYR A 717 -12.781 -1.057 1.678 1.00 0.00 C ATOM 434 CG TYR A 717 -13.057 0.378 2.065 1.00 0.00 C ATOM 435 CD1 TYR A 717 -14.288 0.965 1.800 1.00 0.00 C ATOM 436 CD2 TYR A 717 -12.086 1.147 2.695 1.00 0.00 C ATOM 437 CE1 TYR A 717 -14.544 2.277 2.151 1.00 0.00 C ATOM 438 CE2 TYR A 717 -12.334 2.459 3.051 1.00 0.00 C ATOM 439 CZ TYR A 717 -13.564 3.019 2.776 1.00 0.00 C ATOM 440 OH TYR A 717 -13.816 4.326 3.128 1.00 0.00 O ATOM 0 H TYR A 717 -13.859 -1.955 3.924 1.00 0.00 H new ATOM 0 HA TYR A 717 -14.765 -1.672 1.123 1.00 0.00 H new ATOM 0 HB2 TYR A 717 -11.966 -1.440 2.292 1.00 0.00 H new ATOM 0 HB3 TYR A 717 -12.441 -1.086 0.643 1.00 0.00 H new ATOM 0 HD1 TYR A 717 -15.058 0.386 1.311 1.00 0.00 H new ATOM 0 HD2 TYR A 717 -11.121 0.712 2.910 1.00 0.00 H new ATOM 0 HE1 TYR A 717 -15.506 2.719 1.937 1.00 0.00 H new ATOM 0 HE2 TYR A 717 -11.569 3.042 3.542 1.00 0.00 H new ATOM 0 HH TYR A 717 -13.023 4.707 3.560 1.00 0.00 H new ATOM 450 N LYS A 718 -14.370 -4.362 2.045 1.00 0.00 N ATOM 451 CA LYS A 718 -14.102 -5.779 1.826 1.00 0.00 C ATOM 452 C LYS A 718 -14.287 -6.146 0.357 1.00 0.00 C ATOM 453 O LYS A 718 -15.411 -6.215 -0.138 1.00 0.00 O ATOM 454 CB LYS A 718 -15.025 -6.634 2.697 1.00 0.00 C ATOM 455 CG LYS A 718 -15.041 -8.102 2.307 1.00 0.00 C ATOM 456 CD LYS A 718 -15.621 -8.967 3.414 1.00 0.00 C ATOM 457 CE LYS A 718 -17.127 -9.121 3.270 1.00 0.00 C ATOM 458 NZ LYS A 718 -17.486 -10.046 2.161 1.00 0.00 N ATOM 0 H LYS A 718 -15.188 -4.172 2.624 1.00 0.00 H new ATOM 0 HA LYS A 718 -13.066 -5.975 2.104 1.00 0.00 H new ATOM 0 HB2 LYS A 718 -14.713 -6.546 3.738 1.00 0.00 H new ATOM 0 HB3 LYS A 718 -16.039 -6.239 2.634 1.00 0.00 H new ATOM 0 HG2 LYS A 718 -15.628 -8.231 1.398 1.00 0.00 H new ATOM 0 HG3 LYS A 718 -14.027 -8.430 2.081 1.00 0.00 H new ATOM 0 HD2 LYS A 718 -15.150 -9.950 3.394 1.00 0.00 H new ATOM 0 HD3 LYS A 718 -15.391 -8.523 4.383 1.00 0.00 H new ATOM 0 HE2 LYS A 718 -17.545 -9.495 4.205 1.00 0.00 H new ATOM 0 HE3 LYS A 718 -17.576 -8.145 3.088 1.00 0.00 H new ATOM 0 HZ1 LYS A 718 -18.488 -10.311 2.241 1.00 0.00 H new ATOM 0 HZ2 LYS A 718 -17.324 -9.573 1.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 718 -16.896 -10.901 2.217 1.00 0.00 H new ATOM 472 N GLY A 719 -13.176 -6.383 -0.334 1.00 0.00 N ATOM 473 CA GLY A 719 -13.239 -6.743 -1.738 1.00 0.00 C ATOM 474 C GLY A 719 -12.783 -5.617 -2.646 1.00 0.00 C ATOM 475 O GLY A 719 -13.256 -5.491 -3.775 1.00 0.00 O ATOM 0 H GLY A 719 -12.234 -6.332 0.054 1.00 0.00 H new ATOM 0 HA2 GLY A 719 -12.618 -7.621 -1.913 1.00 0.00 H new ATOM 0 HA3 GLY A 719 -14.262 -7.020 -1.993 1.00 0.00 H new ATOM 479 N TYR A 720 -11.864 -4.795 -2.150 1.00 0.00 N ATOM 480 CA TYR A 720 -11.348 -3.671 -2.923 1.00 0.00 C ATOM 481 C TYR A 720 -9.849 -3.820 -3.166 1.00 0.00 C ATOM 482 O TYR A 720 -9.127 -4.374 -2.337 1.00 0.00 O ATOM 483 CB TYR A 720 -11.630 -2.355 -2.197 1.00 0.00 C ATOM 484 CG TYR A 720 -13.021 -1.814 -2.442 1.00 0.00 C ATOM 485 CD1 TYR A 720 -14.144 -2.595 -2.198 1.00 0.00 C ATOM 486 CD2 TYR A 720 -13.212 -0.522 -2.916 1.00 0.00 C ATOM 487 CE1 TYR A 720 -15.416 -2.106 -2.421 1.00 0.00 C ATOM 488 CE2 TYR A 720 -14.481 -0.024 -3.140 1.00 0.00 C ATOM 489 CZ TYR A 720 -15.580 -0.819 -2.892 1.00 0.00 C ATOM 490 OH TYR A 720 -16.846 -0.328 -3.113 1.00 0.00 O ATOM 0 H TYR A 720 -11.462 -4.886 -1.217 1.00 0.00 H new ATOM 0 HA TYR A 720 -11.855 -3.662 -3.888 1.00 0.00 H new ATOM 0 HB2 TYR A 720 -11.490 -2.503 -1.126 1.00 0.00 H new ATOM 0 HB3 TYR A 720 -10.899 -1.611 -2.514 1.00 0.00 H new ATOM 0 HD1 TYR A 720 -14.020 -3.602 -1.828 1.00 0.00 H new ATOM 0 HD2 TYR A 720 -12.354 0.104 -3.113 1.00 0.00 H new ATOM 0 HE1 TYR A 720 -16.278 -2.727 -2.228 1.00 0.00 H new ATOM 0 HE2 TYR A 720 -14.612 0.983 -3.508 1.00 0.00 H new ATOM 0 HH TYR A 720 -16.787 0.593 -3.443 1.00 0.00 H new ATOM 500 N ILE A 721 -9.390 -3.321 -4.309 1.00 0.00 N ATOM 501 CA ILE A 721 -7.978 -3.396 -4.661 1.00 0.00 C ATOM 502 C ILE A 721 -7.263 -2.085 -4.352 1.00 0.00 C ATOM 503 O ILE A 721 -7.849 -1.008 -4.452 1.00 0.00 O ATOM 504 CB ILE A 721 -7.787 -3.732 -6.152 1.00 0.00 C ATOM 505 CG1 ILE A 721 -8.520 -5.028 -6.504 1.00 0.00 C ATOM 506 CG2 ILE A 721 -6.307 -3.848 -6.484 1.00 0.00 C ATOM 507 CD1 ILE A 721 -7.925 -6.256 -5.850 1.00 0.00 C ATOM 0 H ILE A 721 -9.975 -2.861 -5.006 1.00 0.00 H new ATOM 0 HA ILE A 721 -7.545 -4.194 -4.058 1.00 0.00 H new ATOM 0 HB ILE A 721 -8.211 -2.924 -6.748 1.00 0.00 H new ATOM 0 HG12 ILE A 721 -9.565 -4.938 -6.206 1.00 0.00 H new ATOM 0 HG13 ILE A 721 -8.508 -5.160 -7.586 1.00 0.00 H new ATOM 0 HG21 ILE A 721 -6.189 -4.086 -7.541 1.00 0.00 H new ATOM 0 HG22 ILE A 721 -5.810 -2.902 -6.267 1.00 0.00 H new ATOM 0 HG23 ILE A 721 -5.860 -4.639 -5.882 1.00 0.00 H new ATOM 0 HD11 ILE A 721 -8.495 -7.137 -6.144 1.00 0.00 H new ATOM 0 HD12 ILE A 721 -6.889 -6.371 -6.168 1.00 0.00 H new ATOM 0 HD13 ILE A 721 -7.962 -6.145 -4.766 1.00 0.00 H new ATOM 519 N GLY A 722 -5.992 -2.185 -3.976 1.00 0.00 N ATOM 520 CA GLY A 722 -5.217 -1.000 -3.659 1.00 0.00 C ATOM 521 C GLY A 722 -3.728 -1.278 -3.605 1.00 0.00 C ATOM 522 O GLY A 722 -3.308 -2.428 -3.479 1.00 0.00 O ATOM 0 H GLY A 722 -5.485 -3.066 -3.885 1.00 0.00 H new ATOM 0 HA2 GLY A 722 -5.413 -0.231 -4.406 1.00 0.00 H new ATOM 0 HA3 GLY A 722 -5.544 -0.602 -2.698 1.00 0.00 H new ATOM 526 N VAL A 723 -2.926 -0.222 -3.702 1.00 0.00 N ATOM 527 CA VAL A 723 -1.475 -0.358 -3.664 1.00 0.00 C ATOM 528 C VAL A 723 -0.913 0.122 -2.331 1.00 0.00 C ATOM 529 O VAL A 723 -1.222 1.223 -1.874 1.00 0.00 O ATOM 530 CB VAL A 723 -0.807 0.433 -4.805 1.00 0.00 C ATOM 531 CG1 VAL A 723 0.696 0.517 -4.588 1.00 0.00 C ATOM 532 CG2 VAL A 723 -1.125 -0.202 -6.150 1.00 0.00 C ATOM 0 H VAL A 723 -3.257 0.737 -3.807 1.00 0.00 H new ATOM 0 HA VAL A 723 -1.253 -1.418 -3.788 1.00 0.00 H new ATOM 0 HB VAL A 723 -1.207 1.447 -4.804 1.00 0.00 H new ATOM 0 HG11 VAL A 723 1.151 1.079 -5.404 1.00 0.00 H new ATOM 0 HG12 VAL A 723 0.900 1.020 -3.643 1.00 0.00 H new ATOM 0 HG13 VAL A 723 1.117 -0.488 -4.562 1.00 0.00 H new ATOM 0 HG21 VAL A 723 -0.645 0.369 -6.945 1.00 0.00 H new ATOM 0 HG22 VAL A 723 -0.754 -1.227 -6.165 1.00 0.00 H new ATOM 0 HG23 VAL A 723 -2.204 -0.204 -6.305 1.00 0.00 H new ATOM 542 N VAL A 724 -0.084 -0.711 -1.709 1.00 0.00 N ATOM 543 CA VAL A 724 0.524 -0.372 -0.428 1.00 0.00 C ATOM 544 C VAL A 724 1.460 0.824 -0.564 1.00 0.00 C ATOM 545 O VAL A 724 2.534 0.722 -1.156 1.00 0.00 O ATOM 546 CB VAL A 724 1.310 -1.562 0.153 1.00 0.00 C ATOM 547 CG1 VAL A 724 1.829 -1.231 1.544 1.00 0.00 C ATOM 548 CG2 VAL A 724 0.441 -2.810 0.182 1.00 0.00 C ATOM 0 H VAL A 724 0.182 -1.626 -2.072 1.00 0.00 H new ATOM 0 HA VAL A 724 -0.290 -0.118 0.251 1.00 0.00 H new ATOM 0 HB VAL A 724 2.167 -1.759 -0.491 1.00 0.00 H new ATOM 0 HG11 VAL A 724 2.382 -2.084 1.939 1.00 0.00 H new ATOM 0 HG12 VAL A 724 2.488 -0.365 1.490 1.00 0.00 H new ATOM 0 HG13 VAL A 724 0.989 -1.007 2.202 1.00 0.00 H new ATOM 0 HG21 VAL A 724 1.012 -3.641 0.595 1.00 0.00 H new ATOM 0 HG22 VAL A 724 -0.436 -2.628 0.803 1.00 0.00 H new ATOM 0 HG23 VAL A 724 0.124 -3.056 -0.831 1.00 0.00 H new ATOM 558 N LYS A 725 1.045 1.959 -0.011 1.00 0.00 N ATOM 559 CA LYS A 725 1.846 3.176 -0.067 1.00 0.00 C ATOM 560 C LYS A 725 2.847 3.222 1.083 1.00 0.00 C ATOM 561 O LYS A 725 3.984 3.661 0.912 1.00 0.00 O ATOM 562 CB LYS A 725 0.942 4.409 -0.020 1.00 0.00 C ATOM 563 CG LYS A 725 -0.212 4.355 -1.007 1.00 0.00 C ATOM 564 CD LYS A 725 0.168 4.971 -2.343 1.00 0.00 C ATOM 565 CE LYS A 725 0.742 3.931 -3.293 1.00 0.00 C ATOM 566 NZ LYS A 725 1.270 4.551 -4.540 1.00 0.00 N ATOM 0 H LYS A 725 0.158 2.061 0.481 1.00 0.00 H new ATOM 0 HA LYS A 725 2.399 3.174 -1.007 1.00 0.00 H new ATOM 0 HB2 LYS A 725 0.542 4.518 0.988 1.00 0.00 H new ATOM 0 HB3 LYS A 725 1.541 5.297 -0.223 1.00 0.00 H new ATOM 0 HG2 LYS A 725 -0.516 3.319 -1.156 1.00 0.00 H new ATOM 0 HG3 LYS A 725 -1.071 4.883 -0.593 1.00 0.00 H new ATOM 0 HD2 LYS A 725 -0.710 5.433 -2.795 1.00 0.00 H new ATOM 0 HD3 LYS A 725 0.899 5.764 -2.185 1.00 0.00 H new ATOM 0 HE2 LYS A 725 1.541 3.384 -2.793 1.00 0.00 H new ATOM 0 HE3 LYS A 725 -0.031 3.205 -3.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 725 1.652 3.810 -5.161 1.00 0.00 H new ATOM 0 HZ2 LYS A 725 0.502 5.052 -5.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 725 2.025 5.225 -4.300 1.00 0.00 H new ATOM 580 N ASP A 726 2.417 2.766 2.254 1.00 0.00 N ATOM 581 CA ASP A 726 3.276 2.753 3.432 1.00 0.00 C ATOM 582 C ASP A 726 3.007 1.519 4.288 1.00 0.00 C ATOM 583 O ASP A 726 1.889 1.005 4.319 1.00 0.00 O ATOM 584 CB ASP A 726 3.061 4.020 4.261 1.00 0.00 C ATOM 585 CG ASP A 726 4.301 4.425 5.032 1.00 0.00 C ATOM 586 OD1 ASP A 726 5.418 4.196 4.522 1.00 0.00 O ATOM 587 OD2 ASP A 726 4.156 4.971 6.146 1.00 0.00 O ATOM 0 H ASP A 726 1.478 2.400 2.413 1.00 0.00 H new ATOM 0 HA ASP A 726 4.312 2.720 3.095 1.00 0.00 H new ATOM 0 HB2 ASP A 726 2.764 4.836 3.602 1.00 0.00 H new ATOM 0 HB3 ASP A 726 2.239 3.859 4.959 1.00 0.00 H new ATOM 592 N ALA A 727 4.039 1.049 4.980 1.00 0.00 N ATOM 593 CA ALA A 727 3.914 -0.124 5.837 1.00 0.00 C ATOM 594 C ALA A 727 4.080 0.249 7.306 1.00 0.00 C ATOM 595 O ALA A 727 5.134 0.735 7.719 1.00 0.00 O ATOM 596 CB ALA A 727 4.935 -1.180 5.439 1.00 0.00 C ATOM 0 H ALA A 727 4.971 1.462 4.964 1.00 0.00 H new ATOM 0 HA ALA A 727 2.913 -0.535 5.705 1.00 0.00 H new ATOM 0 HB1 ALA A 727 4.830 -2.050 6.087 1.00 0.00 H new ATOM 0 HB2 ALA A 727 4.767 -1.477 4.404 1.00 0.00 H new ATOM 0 HB3 ALA A 727 5.940 -0.771 5.541 1.00 0.00 H new ATOM 602 N THR A 728 3.033 0.019 8.093 1.00 0.00 N ATOM 603 CA THR A 728 3.063 0.332 9.516 1.00 0.00 C ATOM 604 C THR A 728 3.285 -0.923 10.351 1.00 0.00 C ATOM 605 O THR A 728 3.129 -2.041 9.860 1.00 0.00 O ATOM 606 CB THR A 728 1.757 1.012 9.969 1.00 0.00 C ATOM 607 OG1 THR A 728 1.195 1.762 8.886 1.00 0.00 O ATOM 608 CG2 THR A 728 2.009 1.932 11.154 1.00 0.00 C ATOM 0 H THR A 728 2.154 -0.383 7.768 1.00 0.00 H new ATOM 0 HA THR A 728 3.895 1.019 9.671 1.00 0.00 H new ATOM 0 HB THR A 728 1.056 0.236 10.275 1.00 0.00 H new ATOM 0 HG1 THR A 728 0.364 2.190 9.181 1.00 0.00 H new ATOM 0 HG21 THR A 728 1.073 2.401 11.456 1.00 0.00 H new ATOM 0 HG22 THR A 728 2.410 1.353 11.986 1.00 0.00 H new ATOM 0 HG23 THR A 728 2.726 2.703 10.870 1.00 0.00 H new ATOM 616 N GLU A 729 3.650 -0.731 11.615 1.00 0.00 N ATOM 617 CA GLU A 729 3.893 -1.850 12.518 1.00 0.00 C ATOM 618 C GLU A 729 2.671 -2.762 12.596 1.00 0.00 C ATOM 619 O GLU A 729 2.766 -3.966 12.360 1.00 0.00 O ATOM 620 CB GLU A 729 4.252 -1.339 13.914 1.00 0.00 C ATOM 621 CG GLU A 729 3.215 -0.398 14.503 1.00 0.00 C ATOM 622 CD GLU A 729 3.766 0.440 15.640 1.00 0.00 C ATOM 623 OE1 GLU A 729 4.367 1.499 15.359 1.00 0.00 O ATOM 624 OE2 GLU A 729 3.598 0.039 16.810 1.00 0.00 O ATOM 0 H GLU A 729 3.784 0.188 12.036 1.00 0.00 H new ATOM 0 HA GLU A 729 4.730 -2.426 12.124 1.00 0.00 H new ATOM 0 HB2 GLU A 729 4.378 -2.191 14.582 1.00 0.00 H new ATOM 0 HB3 GLU A 729 5.212 -0.825 13.868 1.00 0.00 H new ATOM 0 HG2 GLU A 729 2.841 0.261 13.719 1.00 0.00 H new ATOM 0 HG3 GLU A 729 2.366 -0.979 14.863 1.00 0.00 H new ATOM 631 N SER A 730 1.525 -2.177 12.930 1.00 0.00 N ATOM 632 CA SER A 730 0.285 -2.936 13.044 1.00 0.00 C ATOM 633 C SER A 730 -0.750 -2.441 12.038 1.00 0.00 C ATOM 634 O SER A 730 -1.943 -2.718 12.168 1.00 0.00 O ATOM 635 CB SER A 730 -0.275 -2.828 14.464 1.00 0.00 C ATOM 636 OG SER A 730 0.555 -3.503 15.392 1.00 0.00 O ATOM 0 H SER A 730 1.430 -1.181 13.126 1.00 0.00 H new ATOM 0 HA SER A 730 0.506 -3.981 12.827 1.00 0.00 H new ATOM 0 HB2 SER A 730 -0.362 -1.778 14.745 1.00 0.00 H new ATOM 0 HB3 SER A 730 -1.279 -3.250 14.495 1.00 0.00 H new ATOM 0 HG SER A 730 0.176 -3.418 16.292 1.00 0.00 H new ATOM 642 N THR A 731 -0.284 -1.706 11.033 1.00 0.00 N ATOM 643 CA THR A 731 -1.167 -1.170 10.004 1.00 0.00 C ATOM 644 C THR A 731 -0.429 -0.997 8.682 1.00 0.00 C ATOM 645 O THR A 731 0.786 -1.176 8.610 1.00 0.00 O ATOM 646 CB THR A 731 -1.765 0.185 10.427 1.00 0.00 C ATOM 647 OG1 THR A 731 -0.851 0.877 11.285 1.00 0.00 O ATOM 648 CG2 THR A 731 -3.093 -0.009 11.143 1.00 0.00 C ATOM 0 H THR A 731 0.700 -1.468 10.910 1.00 0.00 H new ATOM 0 HA THR A 731 -1.975 -1.890 9.874 1.00 0.00 H new ATOM 0 HB THR A 731 -1.938 0.777 9.528 1.00 0.00 H new ATOM 0 HG1 THR A 731 -1.238 1.738 11.548 1.00 0.00 H new ATOM 0 HG21 THR A 731 -3.496 0.962 11.432 1.00 0.00 H new ATOM 0 HG22 THR A 731 -3.796 -0.510 10.477 1.00 0.00 H new ATOM 0 HG23 THR A 731 -2.940 -0.618 12.034 1.00 0.00 H new ATOM 656 N ALA A 732 -1.171 -0.646 7.637 1.00 0.00 N ATOM 657 CA ALA A 732 -0.586 -0.446 6.317 1.00 0.00 C ATOM 658 C ALA A 732 -1.383 0.576 5.513 1.00 0.00 C ATOM 659 O ALA A 732 -2.573 0.388 5.259 1.00 0.00 O ATOM 660 CB ALA A 732 -0.510 -1.768 5.567 1.00 0.00 C ATOM 0 H ALA A 732 -2.179 -0.494 7.679 1.00 0.00 H new ATOM 0 HA ALA A 732 0.424 -0.058 6.449 1.00 0.00 H new ATOM 0 HB1 ALA A 732 -0.071 -1.603 4.583 1.00 0.00 H new ATOM 0 HB2 ALA A 732 0.108 -2.469 6.127 1.00 0.00 H new ATOM 0 HB3 ALA A 732 -1.513 -2.180 5.453 1.00 0.00 H new ATOM 666 N ARG A 733 -0.720 1.656 5.115 1.00 0.00 N ATOM 667 CA ARG A 733 -1.368 2.709 4.341 1.00 0.00 C ATOM 668 C ARG A 733 -1.489 2.308 2.874 1.00 0.00 C ATOM 669 O ARG A 733 -0.544 2.454 2.099 1.00 0.00 O ATOM 670 CB ARG A 733 -0.582 4.016 4.460 1.00 0.00 C ATOM 671 CG ARG A 733 -0.311 4.435 5.896 1.00 0.00 C ATOM 672 CD ARG A 733 -1.563 4.982 6.563 1.00 0.00 C ATOM 673 NE ARG A 733 -1.247 5.949 7.611 1.00 0.00 N ATOM 674 CZ ARG A 733 -2.132 6.802 8.115 1.00 0.00 C ATOM 675 NH1 ARG A 733 -3.381 6.806 7.670 1.00 0.00 N ATOM 676 NH2 ARG A 733 -1.768 7.652 9.067 1.00 0.00 N ATOM 0 H ARG A 733 0.266 1.826 5.315 1.00 0.00 H new ATOM 0 HA ARG A 733 -2.370 2.858 4.744 1.00 0.00 H new ATOM 0 HB2 ARG A 733 0.368 3.908 3.937 1.00 0.00 H new ATOM 0 HB3 ARG A 733 -1.135 4.810 3.957 1.00 0.00 H new ATOM 0 HG2 ARG A 733 0.060 3.580 6.462 1.00 0.00 H new ATOM 0 HG3 ARG A 733 0.472 5.193 5.913 1.00 0.00 H new ATOM 0 HD2 ARG A 733 -2.196 5.455 5.812 1.00 0.00 H new ATOM 0 HD3 ARG A 733 -2.135 4.159 6.990 1.00 0.00 H new ATOM 0 HE ARG A 733 -0.295 5.971 7.976 1.00 0.00 H new ATOM 0 HH11 ARG A 733 -3.664 6.153 6.939 1.00 0.00 H new ATOM 0 HH12 ARG A 733 -4.059 7.462 8.059 1.00 0.00 H new ATOM 0 HH21 ARG A 733 -0.808 7.651 9.412 1.00 0.00 H new ATOM 0 HH22 ARG A 733 -2.448 8.307 9.453 1.00 0.00 H new ATOM 690 N VAL A 734 -2.659 1.800 2.499 1.00 0.00 N ATOM 691 CA VAL A 734 -2.905 1.379 1.125 1.00 0.00 C ATOM 692 C VAL A 734 -3.734 2.414 0.372 1.00 0.00 C ATOM 693 O VAL A 734 -4.619 3.048 0.944 1.00 0.00 O ATOM 694 CB VAL A 734 -3.631 0.021 1.076 1.00 0.00 C ATOM 695 CG1 VAL A 734 -3.956 -0.359 -0.361 1.00 0.00 C ATOM 696 CG2 VAL A 734 -2.791 -1.056 1.744 1.00 0.00 C ATOM 0 H VAL A 734 -3.451 1.670 3.128 1.00 0.00 H new ATOM 0 HA VAL A 734 -1.931 1.280 0.645 1.00 0.00 H new ATOM 0 HB VAL A 734 -4.569 0.110 1.624 1.00 0.00 H new ATOM 0 HG11 VAL A 734 -4.469 -1.321 -0.376 1.00 0.00 H new ATOM 0 HG12 VAL A 734 -4.600 0.402 -0.802 1.00 0.00 H new ATOM 0 HG13 VAL A 734 -3.033 -0.431 -0.936 1.00 0.00 H new ATOM 0 HG21 VAL A 734 -3.319 -2.009 1.700 1.00 0.00 H new ATOM 0 HG22 VAL A 734 -1.836 -1.146 1.226 1.00 0.00 H new ATOM 0 HG23 VAL A 734 -2.615 -0.786 2.785 1.00 0.00 H new ATOM 706 N GLU A 735 -3.440 2.577 -0.914 1.00 0.00 N ATOM 707 CA GLU A 735 -4.159 3.536 -1.745 1.00 0.00 C ATOM 708 C GLU A 735 -5.137 2.824 -2.674 1.00 0.00 C ATOM 709 O GLU A 735 -4.743 2.264 -3.698 1.00 0.00 O ATOM 710 CB GLU A 735 -3.175 4.372 -2.565 1.00 0.00 C ATOM 711 CG GLU A 735 -3.833 5.166 -3.681 1.00 0.00 C ATOM 712 CD GLU A 735 -3.903 4.394 -4.984 1.00 0.00 C ATOM 713 OE1 GLU A 735 -3.139 3.418 -5.136 1.00 0.00 O ATOM 714 OE2 GLU A 735 -4.721 4.766 -5.851 1.00 0.00 O ATOM 0 H GLU A 735 -2.710 2.058 -1.403 1.00 0.00 H new ATOM 0 HA GLU A 735 -4.725 4.196 -1.088 1.00 0.00 H new ATOM 0 HB2 GLU A 735 -2.654 5.060 -1.900 1.00 0.00 H new ATOM 0 HB3 GLU A 735 -2.422 3.712 -2.995 1.00 0.00 H new ATOM 0 HG2 GLU A 735 -4.841 5.448 -3.376 1.00 0.00 H new ATOM 0 HG3 GLU A 735 -3.278 6.090 -3.840 1.00 0.00 H new ATOM 721 N LEU A 736 -6.415 2.850 -2.311 1.00 0.00 N ATOM 722 CA LEU A 736 -7.451 2.207 -3.112 1.00 0.00 C ATOM 723 C LEU A 736 -7.357 2.637 -4.572 1.00 0.00 C ATOM 724 O LEU A 736 -6.783 3.681 -4.887 1.00 0.00 O ATOM 725 CB LEU A 736 -8.836 2.546 -2.557 1.00 0.00 C ATOM 726 CG LEU A 736 -9.271 1.766 -1.316 1.00 0.00 C ATOM 727 CD1 LEU A 736 -10.454 2.447 -0.645 1.00 0.00 C ATOM 728 CD2 LEU A 736 -9.619 0.330 -1.684 1.00 0.00 C ATOM 0 H LEU A 736 -6.758 3.309 -1.467 1.00 0.00 H new ATOM 0 HA LEU A 736 -7.299 1.129 -3.060 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -8.860 3.610 -2.320 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -9.572 2.378 -3.344 1.00 0.00 H new ATOM 0 HG LEU A 736 -8.440 1.749 -0.611 1.00 0.00 H new ATOM 0 HD11 LEU A 736 -10.750 1.878 0.236 1.00 0.00 H new ATOM 0 HD12 LEU A 736 -10.171 3.457 -0.347 1.00 0.00 H new ATOM 0 HD13 LEU A 736 -11.290 2.495 -1.343 1.00 0.00 H new ATOM 0 HD21 LEU A 736 -9.926 -0.211 -0.789 1.00 0.00 H new ATOM 0 HD22 LEU A 736 -10.434 0.327 -2.408 1.00 0.00 H new ATOM 0 HD23 LEU A 736 -8.746 -0.156 -2.119 1.00 0.00 H new ATOM 740 N HIS A 737 -7.924 1.827 -5.460 1.00 0.00 N ATOM 741 CA HIS A 737 -7.907 2.126 -6.888 1.00 0.00 C ATOM 742 C HIS A 737 -9.097 2.999 -7.275 1.00 0.00 C ATOM 743 O HIS A 737 -8.929 4.073 -7.852 1.00 0.00 O ATOM 744 CB HIS A 737 -7.923 0.831 -7.701 1.00 0.00 C ATOM 745 CG HIS A 737 -6.577 0.185 -7.825 1.00 0.00 C ATOM 746 ND1 HIS A 737 -6.263 -0.712 -8.824 1.00 0.00 N ATOM 747 CD2 HIS A 737 -5.461 0.312 -7.070 1.00 0.00 C ATOM 748 CE1 HIS A 737 -5.012 -1.110 -8.677 1.00 0.00 C ATOM 749 NE2 HIS A 737 -4.503 -0.503 -7.620 1.00 0.00 N ATOM 0 H HIS A 737 -8.401 0.959 -5.216 1.00 0.00 H new ATOM 0 HA HIS A 737 -6.991 2.674 -7.109 1.00 0.00 H new ATOM 0 HB2 HIS A 737 -8.613 0.128 -7.235 1.00 0.00 H new ATOM 0 HB3 HIS A 737 -8.309 1.042 -8.698 1.00 0.00 H new ATOM 0 HD1 HIS A 737 -6.897 -1.020 -9.561 1.00 0.00 H new ATOM 0 HD2 HIS A 737 -5.346 0.938 -6.197 1.00 0.00 H new ATOM 0 HE1 HIS A 737 -4.494 -1.812 -9.313 1.00 0.00 H new ATOM 757 N SER A 738 -10.298 2.529 -6.955 1.00 0.00 N ATOM 758 CA SER A 738 -11.516 3.265 -7.273 1.00 0.00 C ATOM 759 C SER A 738 -11.531 4.620 -6.574 1.00 0.00 C ATOM 760 O SER A 738 -11.432 5.666 -7.216 1.00 0.00 O ATOM 761 CB SER A 738 -12.748 2.454 -6.866 1.00 0.00 C ATOM 762 OG SER A 738 -13.938 3.069 -7.329 1.00 0.00 O ATOM 0 H SER A 738 -10.454 1.642 -6.476 1.00 0.00 H new ATOM 0 HA SER A 738 -11.539 3.432 -8.350 1.00 0.00 H new ATOM 0 HB2 SER A 738 -12.674 1.445 -7.272 1.00 0.00 H new ATOM 0 HB3 SER A 738 -12.782 2.359 -5.781 1.00 0.00 H new ATOM 0 HG SER A 738 -14.711 2.531 -7.058 1.00 0.00 H new ATOM 768 N THR A 739 -11.655 4.595 -5.250 1.00 0.00 N ATOM 769 CA THR A 739 -11.685 5.820 -4.461 1.00 0.00 C ATOM 770 C THR A 739 -10.402 6.623 -4.645 1.00 0.00 C ATOM 771 O THR A 739 -10.409 7.851 -4.558 1.00 0.00 O ATOM 772 CB THR A 739 -11.879 5.519 -2.963 1.00 0.00 C ATOM 773 OG1 THR A 739 -10.846 4.642 -2.502 1.00 0.00 O ATOM 774 CG2 THR A 739 -13.239 4.887 -2.711 1.00 0.00 C ATOM 0 H THR A 739 -11.736 3.739 -4.702 1.00 0.00 H new ATOM 0 HA THR A 739 -12.532 6.406 -4.818 1.00 0.00 H new ATOM 0 HB THR A 739 -11.826 6.460 -2.415 1.00 0.00 H new ATOM 0 HG1 THR A 739 -10.289 5.110 -1.845 1.00 0.00 H new ATOM 0 HG21 THR A 739 -13.354 4.683 -1.646 1.00 0.00 H new ATOM 0 HG22 THR A 739 -14.024 5.570 -3.036 1.00 0.00 H new ATOM 0 HG23 THR A 739 -13.316 3.954 -3.269 1.00 0.00 H new ATOM 782 N CYS A 740 -9.302 5.922 -4.899 1.00 0.00 N ATOM 783 CA CYS A 740 -8.010 6.570 -5.094 1.00 0.00 C ATOM 784 C CYS A 740 -7.612 7.372 -3.860 1.00 0.00 C ATOM 785 O CYS A 740 -7.217 8.533 -3.964 1.00 0.00 O ATOM 786 CB CYS A 740 -8.055 7.484 -6.319 1.00 0.00 C ATOM 787 SG CYS A 740 -6.429 8.011 -6.908 1.00 0.00 S ATOM 0 H CYS A 740 -9.279 4.905 -4.975 1.00 0.00 H new ATOM 0 HA CYS A 740 -7.262 5.794 -5.256 1.00 0.00 H new ATOM 0 HB2 CYS A 740 -8.572 6.966 -7.127 1.00 0.00 H new ATOM 0 HB3 CYS A 740 -8.646 8.368 -6.078 1.00 0.00 H new ATOM 0 HG CYS A 740 -6.572 8.778 -7.948 1.00 0.00 H new ATOM 793 N GLN A 741 -7.721 6.746 -2.693 1.00 0.00 N ATOM 794 CA GLN A 741 -7.374 7.403 -1.438 1.00 0.00 C ATOM 795 C GLN A 741 -6.515 6.493 -0.567 1.00 0.00 C ATOM 796 O GLN A 741 -6.640 5.269 -0.615 1.00 0.00 O ATOM 797 CB GLN A 741 -8.641 7.805 -0.682 1.00 0.00 C ATOM 798 CG GLN A 741 -9.430 8.913 -1.362 1.00 0.00 C ATOM 799 CD GLN A 741 -10.204 9.767 -0.378 1.00 0.00 C ATOM 800 OE1 GLN A 741 -9.716 10.081 0.708 1.00 0.00 O ATOM 801 NE2 GLN A 741 -11.420 10.149 -0.753 1.00 0.00 N ATOM 0 H GLN A 741 -8.047 5.785 -2.590 1.00 0.00 H new ATOM 0 HA GLN A 741 -6.799 8.299 -1.672 1.00 0.00 H new ATOM 0 HB2 GLN A 741 -9.281 6.930 -0.571 1.00 0.00 H new ATOM 0 HB3 GLN A 741 -8.368 8.129 0.322 1.00 0.00 H new ATOM 0 HG2 GLN A 741 -8.746 9.546 -1.927 1.00 0.00 H new ATOM 0 HG3 GLN A 741 -10.123 8.473 -2.079 1.00 0.00 H new ATOM 0 HE21 GLN A 741 -11.786 9.866 -1.662 1.00 0.00 H new ATOM 0 HE22 GLN A 741 -11.988 10.725 -0.132 1.00 0.00 H new ATOM 810 N THR A 742 -5.641 7.099 0.231 1.00 0.00 N ATOM 811 CA THR A 742 -4.760 6.344 1.113 1.00 0.00 C ATOM 812 C THR A 742 -5.421 6.086 2.462 1.00 0.00 C ATOM 813 O THR A 742 -5.624 7.009 3.251 1.00 0.00 O ATOM 814 CB THR A 742 -3.427 7.082 1.341 1.00 0.00 C ATOM 815 OG1 THR A 742 -2.882 7.508 0.087 1.00 0.00 O ATOM 816 CG2 THR A 742 -2.427 6.185 2.055 1.00 0.00 C ATOM 0 H THR A 742 -5.525 8.111 0.284 1.00 0.00 H new ATOM 0 HA THR A 742 -4.561 5.392 0.621 1.00 0.00 H new ATOM 0 HB THR A 742 -3.622 7.953 1.967 1.00 0.00 H new ATOM 0 HG1 THR A 742 -2.036 7.978 0.241 1.00 0.00 H new ATOM 0 HG21 THR A 742 -1.494 6.728 2.205 1.00 0.00 H new ATOM 0 HG22 THR A 742 -2.832 5.886 3.022 1.00 0.00 H new ATOM 0 HG23 THR A 742 -2.238 5.298 1.451 1.00 0.00 H new ATOM 824 N ILE A 743 -5.754 4.826 2.720 1.00 0.00 N ATOM 825 CA ILE A 743 -6.391 4.446 3.975 1.00 0.00 C ATOM 826 C ILE A 743 -5.527 3.460 4.754 1.00 0.00 C ATOM 827 O ILE A 743 -4.813 2.648 4.168 1.00 0.00 O ATOM 828 CB ILE A 743 -7.777 3.820 3.736 1.00 0.00 C ATOM 829 CG1 ILE A 743 -7.652 2.566 2.868 1.00 0.00 C ATOM 830 CG2 ILE A 743 -8.710 4.830 3.085 1.00 0.00 C ATOM 831 CD1 ILE A 743 -8.733 1.541 3.127 1.00 0.00 C ATOM 0 H ILE A 743 -5.593 4.051 2.077 1.00 0.00 H new ATOM 0 HA ILE A 743 -6.510 5.360 4.557 1.00 0.00 H new ATOM 0 HB ILE A 743 -8.200 3.532 4.699 1.00 0.00 H new ATOM 0 HG12 ILE A 743 -7.682 2.857 1.818 1.00 0.00 H new ATOM 0 HG13 ILE A 743 -6.679 2.108 3.044 1.00 0.00 H new ATOM 0 HG21 ILE A 743 -9.686 4.372 2.923 1.00 0.00 H new ATOM 0 HG22 ILE A 743 -8.820 5.697 3.737 1.00 0.00 H new ATOM 0 HG23 ILE A 743 -8.294 5.146 2.128 1.00 0.00 H new ATOM 0 HD11 ILE A 743 -8.581 0.680 2.477 1.00 0.00 H new ATOM 0 HD12 ILE A 743 -8.690 1.222 4.168 1.00 0.00 H new ATOM 0 HD13 ILE A 743 -9.709 1.982 2.923 1.00 0.00 H new ATOM 843 N SER A 744 -5.600 3.537 6.079 1.00 0.00 N ATOM 844 CA SER A 744 -4.823 2.652 6.940 1.00 0.00 C ATOM 845 C SER A 744 -5.603 1.379 7.256 1.00 0.00 C ATOM 846 O SER A 744 -6.738 1.434 7.728 1.00 0.00 O ATOM 847 CB SER A 744 -4.447 3.369 8.238 1.00 0.00 C ATOM 848 OG SER A 744 -5.602 3.702 8.989 1.00 0.00 O ATOM 0 H SER A 744 -6.189 4.203 6.580 1.00 0.00 H new ATOM 0 HA SER A 744 -3.912 2.377 6.409 1.00 0.00 H new ATOM 0 HB2 SER A 744 -3.793 2.731 8.833 1.00 0.00 H new ATOM 0 HB3 SER A 744 -3.885 4.274 8.008 1.00 0.00 H new ATOM 0 HG SER A 744 -6.293 3.022 8.845 1.00 0.00 H new ATOM 854 N VAL A 745 -4.984 0.233 6.990 1.00 0.00 N ATOM 855 CA VAL A 745 -5.618 -1.055 7.247 1.00 0.00 C ATOM 856 C VAL A 745 -4.629 -2.043 7.854 1.00 0.00 C ATOM 857 O VAL A 745 -3.457 -2.074 7.478 1.00 0.00 O ATOM 858 CB VAL A 745 -6.204 -1.659 5.957 1.00 0.00 C ATOM 859 CG1 VAL A 745 -6.900 -2.979 6.253 1.00 0.00 C ATOM 860 CG2 VAL A 745 -7.161 -0.678 5.297 1.00 0.00 C ATOM 0 H VAL A 745 -4.045 0.170 6.597 1.00 0.00 H new ATOM 0 HA VAL A 745 -6.427 -0.874 7.955 1.00 0.00 H new ATOM 0 HB VAL A 745 -5.386 -1.855 5.264 1.00 0.00 H new ATOM 0 HG11 VAL A 745 -7.308 -3.390 5.330 1.00 0.00 H new ATOM 0 HG12 VAL A 745 -6.183 -3.681 6.678 1.00 0.00 H new ATOM 0 HG13 VAL A 745 -7.709 -2.812 6.964 1.00 0.00 H new ATOM 0 HG21 VAL A 745 -7.566 -1.121 4.387 1.00 0.00 H new ATOM 0 HG22 VAL A 745 -7.977 -0.448 5.983 1.00 0.00 H new ATOM 0 HG23 VAL A 745 -6.627 0.239 5.048 1.00 0.00 H new ATOM 870 N ASP A 746 -5.109 -2.849 8.795 1.00 0.00 N ATOM 871 CA ASP A 746 -4.267 -3.841 9.454 1.00 0.00 C ATOM 872 C ASP A 746 -3.478 -4.651 8.431 1.00 0.00 C ATOM 873 O ASP A 746 -4.048 -5.204 7.489 1.00 0.00 O ATOM 874 CB ASP A 746 -5.120 -4.774 10.315 1.00 0.00 C ATOM 875 CG ASP A 746 -5.315 -4.247 11.723 1.00 0.00 C ATOM 876 OD1 ASP A 746 -5.733 -3.079 11.867 1.00 0.00 O ATOM 877 OD2 ASP A 746 -5.051 -5.003 12.681 1.00 0.00 O ATOM 0 H ASP A 746 -6.076 -2.835 9.118 1.00 0.00 H new ATOM 0 HA ASP A 746 -3.560 -3.313 10.095 1.00 0.00 H new ATOM 0 HB2 ASP A 746 -6.093 -4.910 9.843 1.00 0.00 H new ATOM 0 HB3 ASP A 746 -4.647 -5.755 10.360 1.00 0.00 H new ATOM 882 N ARG A 747 -2.165 -4.717 8.620 1.00 0.00 N ATOM 883 CA ARG A 747 -1.298 -5.458 7.712 1.00 0.00 C ATOM 884 C ARG A 747 -1.894 -6.824 7.385 1.00 0.00 C ATOM 885 O ARG A 747 -1.773 -7.311 6.261 1.00 0.00 O ATOM 886 CB ARG A 747 0.092 -5.630 8.327 1.00 0.00 C ATOM 887 CG ARG A 747 0.822 -4.317 8.562 1.00 0.00 C ATOM 888 CD ARG A 747 2.330 -4.505 8.532 1.00 0.00 C ATOM 889 NE ARG A 747 2.850 -4.971 9.815 1.00 0.00 N ATOM 890 CZ ARG A 747 3.999 -5.624 9.949 1.00 0.00 C ATOM 891 NH1 ARG A 747 4.744 -5.887 8.884 1.00 0.00 N ATOM 892 NH2 ARG A 747 4.404 -6.016 11.150 1.00 0.00 N ATOM 0 H ARG A 747 -1.678 -4.266 9.394 1.00 0.00 H new ATOM 0 HA ARG A 747 -1.211 -4.888 6.787 1.00 0.00 H new ATOM 0 HB2 ARG A 747 -0.003 -6.158 9.276 1.00 0.00 H new ATOM 0 HB3 ARG A 747 0.695 -6.259 7.671 1.00 0.00 H new ATOM 0 HG2 ARG A 747 0.529 -3.595 7.800 1.00 0.00 H new ATOM 0 HG3 ARG A 747 0.525 -3.902 9.525 1.00 0.00 H new ATOM 0 HD2 ARG A 747 2.590 -5.222 7.754 1.00 0.00 H new ATOM 0 HD3 ARG A 747 2.808 -3.561 8.269 1.00 0.00 H new ATOM 0 HE ARG A 747 2.301 -4.785 10.654 1.00 0.00 H new ATOM 0 HH11 ARG A 747 4.435 -5.588 7.959 1.00 0.00 H new ATOM 0 HH12 ARG A 747 5.626 -6.389 8.990 1.00 0.00 H new ATOM 0 HH21 ARG A 747 3.833 -5.816 11.971 1.00 0.00 H new ATOM 0 HH22 ARG A 747 5.286 -6.517 11.252 1.00 0.00 H new ATOM 906 N GLN A 748 -2.536 -7.436 8.375 1.00 0.00 N ATOM 907 CA GLN A 748 -3.149 -8.746 8.191 1.00 0.00 C ATOM 908 C GLN A 748 -4.466 -8.630 7.432 1.00 0.00 C ATOM 909 O GLN A 748 -4.739 -9.410 6.519 1.00 0.00 O ATOM 910 CB GLN A 748 -3.385 -9.416 9.546 1.00 0.00 C ATOM 911 CG GLN A 748 -2.121 -9.975 10.178 1.00 0.00 C ATOM 912 CD GLN A 748 -2.403 -11.098 11.156 1.00 0.00 C ATOM 913 OE1 GLN A 748 -3.559 -11.390 11.466 1.00 0.00 O ATOM 914 NE2 GLN A 748 -1.347 -11.735 11.647 1.00 0.00 N ATOM 0 H GLN A 748 -2.645 -7.046 9.311 1.00 0.00 H new ATOM 0 HA GLN A 748 -2.466 -9.359 7.604 1.00 0.00 H new ATOM 0 HB2 GLN A 748 -3.832 -8.692 10.227 1.00 0.00 H new ATOM 0 HB3 GLN A 748 -4.107 -10.224 9.422 1.00 0.00 H new ATOM 0 HG2 GLN A 748 -1.458 -10.340 9.393 1.00 0.00 H new ATOM 0 HG3 GLN A 748 -1.593 -9.173 10.694 1.00 0.00 H new ATOM 0 HE21 GLN A 748 -0.407 -11.459 11.362 1.00 0.00 H new ATOM 0 HE22 GLN A 748 -1.475 -12.500 12.309 1.00 0.00 H new ATOM 923 N ARG A 749 -5.280 -7.651 7.815 1.00 0.00 N ATOM 924 CA ARG A 749 -6.569 -7.433 7.171 1.00 0.00 C ATOM 925 C ARG A 749 -6.420 -7.402 5.653 1.00 0.00 C ATOM 926 O ARG A 749 -7.351 -7.740 4.920 1.00 0.00 O ATOM 927 CB ARG A 749 -7.193 -6.125 7.660 1.00 0.00 C ATOM 928 CG ARG A 749 -7.909 -6.252 8.994 1.00 0.00 C ATOM 929 CD ARG A 749 -8.542 -4.935 9.415 1.00 0.00 C ATOM 930 NE ARG A 749 -8.730 -4.856 10.861 1.00 0.00 N ATOM 931 CZ ARG A 749 -8.911 -3.715 11.517 1.00 0.00 C ATOM 932 NH1 ARG A 749 -8.929 -2.564 10.859 1.00 0.00 N ATOM 933 NH2 ARG A 749 -9.075 -3.724 12.834 1.00 0.00 N ATOM 0 H ARG A 749 -5.069 -6.996 8.568 1.00 0.00 H new ATOM 0 HA ARG A 749 -7.225 -8.262 7.438 1.00 0.00 H new ATOM 0 HB2 ARG A 749 -6.412 -5.370 7.747 1.00 0.00 H new ATOM 0 HB3 ARG A 749 -7.899 -5.767 6.911 1.00 0.00 H new ATOM 0 HG2 ARG A 749 -8.679 -7.020 8.923 1.00 0.00 H new ATOM 0 HG3 ARG A 749 -7.203 -6.578 9.758 1.00 0.00 H new ATOM 0 HD2 ARG A 749 -7.912 -4.108 9.086 1.00 0.00 H new ATOM 0 HD3 ARG A 749 -9.505 -4.820 8.917 1.00 0.00 H new ATOM 0 HE ARG A 749 -8.722 -5.724 11.396 1.00 0.00 H new ATOM 0 HH11 ARG A 749 -8.804 -2.553 9.847 1.00 0.00 H new ATOM 0 HH12 ARG A 749 -9.068 -1.689 11.365 1.00 0.00 H new ATOM 0 HH21 ARG A 749 -9.062 -4.608 13.344 1.00 0.00 H new ATOM 0 HH22 ARG A 749 -9.214 -2.847 13.337 1.00 0.00 H new ATOM 947 N LEU A 750 -5.245 -6.994 5.187 1.00 0.00 N ATOM 948 CA LEU A 750 -4.974 -6.918 3.755 1.00 0.00 C ATOM 949 C LEU A 750 -4.638 -8.295 3.191 1.00 0.00 C ATOM 950 O LEU A 750 -3.924 -9.078 3.819 1.00 0.00 O ATOM 951 CB LEU A 750 -3.822 -5.949 3.485 1.00 0.00 C ATOM 952 CG LEU A 750 -3.944 -4.566 4.127 1.00 0.00 C ATOM 953 CD1 LEU A 750 -2.586 -3.885 4.192 1.00 0.00 C ATOM 954 CD2 LEU A 750 -4.937 -3.707 3.357 1.00 0.00 C ATOM 0 H LEU A 750 -4.464 -6.711 5.779 1.00 0.00 H new ATOM 0 HA LEU A 750 -5.873 -6.552 3.259 1.00 0.00 H new ATOM 0 HB2 LEU A 750 -2.897 -6.409 3.834 1.00 0.00 H new ATOM 0 HB3 LEU A 750 -3.727 -5.820 2.407 1.00 0.00 H new ATOM 0 HG LEU A 750 -4.313 -4.691 5.145 1.00 0.00 H new ATOM 0 HD11 LEU A 750 -2.693 -2.903 4.652 1.00 0.00 H new ATOM 0 HD12 LEU A 750 -1.903 -4.491 4.787 1.00 0.00 H new ATOM 0 HD13 LEU A 750 -2.187 -3.772 3.184 1.00 0.00 H new ATOM 0 HD21 LEU A 750 -5.011 -2.727 3.827 1.00 0.00 H new ATOM 0 HD22 LEU A 750 -4.596 -3.591 2.328 1.00 0.00 H new ATOM 0 HD23 LEU A 750 -5.915 -4.188 3.363 1.00 0.00 H new ATOM 966 N THR A 751 -5.154 -8.583 2.001 1.00 0.00 N ATOM 967 CA THR A 751 -4.908 -9.864 1.351 1.00 0.00 C ATOM 968 C THR A 751 -4.141 -9.681 0.047 1.00 0.00 C ATOM 969 O THR A 751 -4.735 -9.479 -1.013 1.00 0.00 O ATOM 970 CB THR A 751 -6.225 -10.608 1.058 1.00 0.00 C ATOM 971 OG1 THR A 751 -6.984 -10.754 2.264 1.00 0.00 O ATOM 972 CG2 THR A 751 -5.951 -11.978 0.457 1.00 0.00 C ATOM 0 H THR A 751 -5.745 -7.946 1.467 1.00 0.00 H new ATOM 0 HA THR A 751 -4.309 -10.458 2.041 1.00 0.00 H new ATOM 0 HB THR A 751 -6.796 -10.021 0.338 1.00 0.00 H new ATOM 0 HG1 THR A 751 -7.638 -11.476 2.154 1.00 0.00 H new ATOM 0 HG21 THR A 751 -6.896 -12.484 0.259 1.00 0.00 H new ATOM 0 HG22 THR A 751 -5.399 -11.862 -0.476 1.00 0.00 H new ATOM 0 HG23 THR A 751 -5.362 -12.571 1.156 1.00 0.00 H new ATOM 980 N THR A 752 -2.816 -9.753 0.130 1.00 0.00 N ATOM 981 CA THR A 752 -1.966 -9.595 -1.044 1.00 0.00 C ATOM 982 C THR A 752 -2.537 -10.347 -2.241 1.00 0.00 C ATOM 983 O THR A 752 -2.670 -11.571 -2.211 1.00 0.00 O ATOM 984 CB THR A 752 -0.535 -10.094 -0.773 1.00 0.00 C ATOM 985 OG1 THR A 752 -0.575 -11.354 -0.095 1.00 0.00 O ATOM 986 CG2 THR A 752 0.240 -9.087 0.064 1.00 0.00 C ATOM 0 H THR A 752 -2.308 -9.920 0.999 1.00 0.00 H new ATOM 0 HA THR A 752 -1.934 -8.529 -1.270 1.00 0.00 H new ATOM 0 HB THR A 752 -0.029 -10.213 -1.731 1.00 0.00 H new ATOM 0 HG1 THR A 752 -1.193 -11.956 -0.560 1.00 0.00 H new ATOM 0 HG21 THR A 752 1.248 -9.461 0.243 1.00 0.00 H new ATOM 0 HG22 THR A 752 0.295 -8.137 -0.468 1.00 0.00 H new ATOM 0 HG23 THR A 752 -0.267 -8.940 1.018 1.00 0.00 H new ATOM 994 N VAL A 753 -2.871 -9.608 -3.294 1.00 0.00 N ATOM 995 CA VAL A 753 -3.426 -10.207 -4.502 1.00 0.00 C ATOM 996 C VAL A 753 -2.405 -11.108 -5.188 1.00 0.00 C ATOM 997 O VAL A 753 -2.691 -12.263 -5.500 1.00 0.00 O ATOM 998 CB VAL A 753 -3.893 -9.129 -5.498 1.00 0.00 C ATOM 999 CG1 VAL A 753 -4.294 -9.763 -6.822 1.00 0.00 C ATOM 1000 CG2 VAL A 753 -5.045 -8.326 -4.912 1.00 0.00 C ATOM 0 H VAL A 753 -2.767 -8.594 -3.335 1.00 0.00 H new ATOM 0 HA VAL A 753 -4.284 -10.804 -4.194 1.00 0.00 H new ATOM 0 HB VAL A 753 -3.063 -8.448 -5.685 1.00 0.00 H new ATOM 0 HG11 VAL A 753 -4.621 -8.986 -7.513 1.00 0.00 H new ATOM 0 HG12 VAL A 753 -3.440 -10.290 -7.247 1.00 0.00 H new ATOM 0 HG13 VAL A 753 -5.109 -10.468 -6.656 1.00 0.00 H new ATOM 0 HG21 VAL A 753 -5.362 -7.569 -5.629 1.00 0.00 H new ATOM 0 HG22 VAL A 753 -5.880 -8.993 -4.695 1.00 0.00 H new ATOM 0 HG23 VAL A 753 -4.719 -7.841 -3.992 1.00 0.00 H new