USER MOD reduce.3.24.130724 H: found=0, std=0, add=401, rem=0, adj=15 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 Single : A 703 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 708 GLN : amide:sc= -0.81 K(o=-0.81,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= -0.823 K(o=-0.82,f=-3.5!) USER MOD Single : A 717 TYR OH : rot 180:sc= 0 USER MOD Single : A 718 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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 728 THR OG1 : rot 150:sc= 0 USER MOD Single : A 730 SER OG : rot 180:sc= 0 USER MOD Single : A 731 THR OG1 : rot 180:sc= -0.908 USER MOD Single : A 737 HIS : no HE2:sc= -0.309 K(o=-0.31,f=-2.1!) USER MOD Single : A 738 SER OG : rot 180:sc= 0 USER MOD Single : A 739 THR OG1 : rot -75:sc= -1.51 USER MOD Single : A 740 CYS SG : rot 180:sc= -0.0229 USER MOD Single : A 741 GLN : amide:sc= -0.0287 K(o=-0.029,f=-1.5!) USER MOD Single : A 742 THR OG1 : rot 180:sc= 0 USER MOD Single : A 744 SER OG : rot 31:sc= 0.701 USER MOD Single : A 748 GLN : amide:sc= -0.041 X(o=-0.041,f=0) USER MOD Single : A 751 THR OG1 : rot 180:sc= 0 USER MOD Single : A 752 THR OG1 : rot 45:sc= 0.0196 USER MOD ----------------------------------------------------------------- ATOM 216 N ASN A 703 9.680 -0.829 3.991 1.00 0.00 N ATOM 217 CA ASN A 703 9.070 -0.247 2.801 1.00 0.00 C ATOM 218 C ASN A 703 9.131 -1.220 1.627 1.00 0.00 C ATOM 219 O ASN A 703 9.098 -0.811 0.467 1.00 0.00 O ATOM 220 CB ASN A 703 9.771 1.061 2.430 1.00 0.00 C ATOM 221 CG ASN A 703 9.998 1.956 3.633 1.00 0.00 C ATOM 222 OD1 ASN A 703 11.097 2.003 4.187 1.00 0.00 O ATOM 223 ND2 ASN A 703 8.958 2.672 4.042 1.00 0.00 N ATOM 0 HA ASN A 703 8.024 -0.040 3.025 1.00 0.00 H new ATOM 0 HB2 ASN A 703 10.729 0.836 1.962 1.00 0.00 H new ATOM 0 HB3 ASN A 703 9.172 1.594 1.692 1.00 0.00 H new ATOM 0 HD21 ASN A 703 9.051 3.293 4.846 1.00 0.00 H new ATOM 0 HD22 ASN A 703 8.066 2.601 3.552 1.00 0.00 H new ATOM 230 N GLU A 704 9.220 -2.510 1.938 1.00 0.00 N ATOM 231 CA GLU A 704 9.286 -3.541 0.909 1.00 0.00 C ATOM 232 C GLU A 704 7.913 -3.777 0.287 1.00 0.00 C ATOM 233 O GLU A 704 7.747 -3.689 -0.930 1.00 0.00 O ATOM 234 CB GLU A 704 9.822 -4.847 1.498 1.00 0.00 C ATOM 235 CG GLU A 704 10.090 -5.920 0.456 1.00 0.00 C ATOM 236 CD GLU A 704 11.270 -5.585 -0.436 1.00 0.00 C ATOM 237 OE1 GLU A 704 11.175 -4.605 -1.203 1.00 0.00 O ATOM 238 OE2 GLU A 704 12.289 -6.304 -0.365 1.00 0.00 O ATOM 0 H GLU A 704 9.248 -2.865 2.894 1.00 0.00 H new ATOM 0 HA GLU A 704 9.965 -3.197 0.129 1.00 0.00 H new ATOM 0 HB2 GLU A 704 10.745 -4.640 2.039 1.00 0.00 H new ATOM 0 HB3 GLU A 704 9.105 -5.229 2.225 1.00 0.00 H new ATOM 0 HG2 GLU A 704 10.276 -6.870 0.957 1.00 0.00 H new ATOM 0 HG3 GLU A 704 9.200 -6.054 -0.160 1.00 0.00 H new ATOM 245 N LEU A 705 6.931 -4.078 1.130 1.00 0.00 N ATOM 246 CA LEU A 705 5.572 -4.327 0.664 1.00 0.00 C ATOM 247 C LEU A 705 4.989 -3.087 -0.005 1.00 0.00 C ATOM 248 O LEU A 705 3.989 -3.167 -0.720 1.00 0.00 O ATOM 249 CB LEU A 705 4.682 -4.756 1.832 1.00 0.00 C ATOM 250 CG LEU A 705 3.187 -4.869 1.531 1.00 0.00 C ATOM 251 CD1 LEU A 705 2.930 -5.963 0.507 1.00 0.00 C ATOM 252 CD2 LEU A 705 2.404 -5.136 2.808 1.00 0.00 C ATOM 0 H LEU A 705 7.051 -4.155 2.140 1.00 0.00 H new ATOM 0 HA LEU A 705 5.609 -5.130 -0.072 1.00 0.00 H new ATOM 0 HB2 LEU A 705 5.033 -5.722 2.194 1.00 0.00 H new ATOM 0 HB3 LEU A 705 4.815 -4.043 2.645 1.00 0.00 H new ATOM 0 HG LEU A 705 2.848 -3.921 1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 705 1.861 -6.029 0.305 1.00 0.00 H new ATOM 0 HD12 LEU A 705 3.460 -5.729 -0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 705 3.285 -6.917 0.897 1.00 0.00 H new ATOM 0 HD21 LEU A 705 1.342 -5.213 2.574 1.00 0.00 H new ATOM 0 HD22 LEU A 705 2.746 -6.069 3.256 1.00 0.00 H new ATOM 0 HD23 LEU A 705 2.562 -4.317 3.510 1.00 0.00 H new ATOM 264 N ILE A 706 5.622 -1.942 0.228 1.00 0.00 N ATOM 265 CA ILE A 706 5.168 -0.686 -0.355 1.00 0.00 C ATOM 266 C ILE A 706 5.217 -0.738 -1.878 1.00 0.00 C ATOM 267 O ILE A 706 6.293 -0.742 -2.475 1.00 0.00 O ATOM 268 CB ILE A 706 6.018 0.502 0.135 1.00 0.00 C ATOM 269 CG1 ILE A 706 5.669 0.843 1.584 1.00 0.00 C ATOM 270 CG2 ILE A 706 5.808 1.710 -0.766 1.00 0.00 C ATOM 271 CD1 ILE A 706 5.350 -0.369 2.431 1.00 0.00 C ATOM 0 H ILE A 706 6.451 -1.859 0.817 1.00 0.00 H new ATOM 0 HA ILE A 706 4.137 -0.542 -0.032 1.00 0.00 H new ATOM 0 HB ILE A 706 7.070 0.220 0.092 1.00 0.00 H new ATOM 0 HG12 ILE A 706 6.504 1.380 2.033 1.00 0.00 H new ATOM 0 HG13 ILE A 706 4.813 1.518 1.594 1.00 0.00 H new ATOM 0 HG21 ILE A 706 6.415 2.541 -0.407 1.00 0.00 H new ATOM 0 HG22 ILE A 706 6.102 1.459 -1.785 1.00 0.00 H new ATOM 0 HG23 ILE A 706 4.756 1.996 -0.752 1.00 0.00 H new ATOM 0 HD11 ILE A 706 5.112 -0.051 3.446 1.00 0.00 H new ATOM 0 HD12 ILE A 706 4.495 -0.895 2.006 1.00 0.00 H new ATOM 0 HD13 ILE A 706 6.212 -1.035 2.452 1.00 0.00 H new ATOM 283 N GLY A 707 4.043 -0.775 -2.502 1.00 0.00 N ATOM 284 CA GLY A 707 3.975 -0.825 -3.951 1.00 0.00 C ATOM 285 C GLY A 707 3.247 -2.055 -4.455 1.00 0.00 C ATOM 286 O GLY A 707 2.772 -2.080 -5.590 1.00 0.00 O ATOM 0 H GLY A 707 3.139 -0.771 -2.030 1.00 0.00 H new ATOM 0 HA2 GLY A 707 3.470 0.068 -4.319 1.00 0.00 H new ATOM 0 HA3 GLY A 707 4.985 -0.812 -4.360 1.00 0.00 H new ATOM 290 N GLN A 708 3.162 -3.078 -3.611 1.00 0.00 N ATOM 291 CA GLN A 708 2.490 -4.318 -3.979 1.00 0.00 C ATOM 292 C GLN A 708 0.977 -4.128 -4.011 1.00 0.00 C ATOM 293 O GLN A 708 0.440 -3.218 -3.377 1.00 0.00 O ATOM 294 CB GLN A 708 2.855 -5.432 -2.997 1.00 0.00 C ATOM 295 CG GLN A 708 4.349 -5.558 -2.749 1.00 0.00 C ATOM 296 CD GLN A 708 5.175 -5.232 -3.978 1.00 0.00 C ATOM 297 OE1 GLN A 708 4.870 -5.682 -5.082 1.00 0.00 O ATOM 298 NE2 GLN A 708 6.228 -4.445 -3.792 1.00 0.00 N ATOM 0 H GLN A 708 3.550 -3.072 -2.668 1.00 0.00 H new ATOM 0 HA GLN A 708 2.824 -4.600 -4.977 1.00 0.00 H new ATOM 0 HB2 GLN A 708 2.352 -5.248 -2.048 1.00 0.00 H new ATOM 0 HB3 GLN A 708 2.477 -6.380 -3.379 1.00 0.00 H new ATOM 0 HG2 GLN A 708 4.636 -4.891 -1.936 1.00 0.00 H new ATOM 0 HG3 GLN A 708 4.575 -6.573 -2.423 1.00 0.00 H new ATOM 0 HE21 GLN A 708 6.444 -4.094 -2.859 1.00 0.00 H new ATOM 0 HE22 GLN A 708 6.821 -4.191 -4.582 1.00 0.00 H new ATOM 307 N THR A 709 0.292 -4.993 -4.754 1.00 0.00 N ATOM 308 CA THR A 709 -1.159 -4.919 -4.869 1.00 0.00 C ATOM 309 C THR A 709 -1.840 -5.763 -3.798 1.00 0.00 C ATOM 310 O THR A 709 -1.785 -6.993 -3.834 1.00 0.00 O ATOM 311 CB THR A 709 -1.636 -5.389 -6.257 1.00 0.00 C ATOM 312 OG1 THR A 709 -1.143 -4.505 -7.270 1.00 0.00 O ATOM 313 CG2 THR A 709 -3.155 -5.441 -6.317 1.00 0.00 C ATOM 0 H THR A 709 0.719 -5.752 -5.285 1.00 0.00 H new ATOM 0 HA THR A 709 -1.434 -3.873 -4.732 1.00 0.00 H new ATOM 0 HB THR A 709 -1.247 -6.392 -6.431 1.00 0.00 H new ATOM 0 HG1 THR A 709 -1.449 -4.812 -8.149 1.00 0.00 H new ATOM 0 HG21 THR A 709 -3.469 -5.775 -7.306 1.00 0.00 H new ATOM 0 HG22 THR A 709 -3.525 -6.137 -5.564 1.00 0.00 H new ATOM 0 HG23 THR A 709 -3.561 -4.448 -6.124 1.00 0.00 H new ATOM 321 N VAL A 710 -2.482 -5.096 -2.844 1.00 0.00 N ATOM 322 CA VAL A 710 -3.175 -5.785 -1.763 1.00 0.00 C ATOM 323 C VAL A 710 -4.685 -5.609 -1.878 1.00 0.00 C ATOM 324 O VAL A 710 -5.166 -4.571 -2.332 1.00 0.00 O ATOM 325 CB VAL A 710 -2.713 -5.274 -0.385 1.00 0.00 C ATOM 326 CG1 VAL A 710 -1.220 -5.501 -0.204 1.00 0.00 C ATOM 327 CG2 VAL A 710 -3.062 -3.803 -0.218 1.00 0.00 C ATOM 0 H VAL A 710 -2.536 -4.078 -2.798 1.00 0.00 H new ATOM 0 HA VAL A 710 -2.928 -6.843 -1.852 1.00 0.00 H new ATOM 0 HB VAL A 710 -3.237 -5.838 0.387 1.00 0.00 H new ATOM 0 HG11 VAL A 710 -0.912 -5.134 0.775 1.00 0.00 H new ATOM 0 HG12 VAL A 710 -1.003 -6.567 -0.277 1.00 0.00 H new ATOM 0 HG13 VAL A 710 -0.674 -4.966 -0.981 1.00 0.00 H new ATOM 0 HG21 VAL A 710 -2.728 -3.459 0.761 1.00 0.00 H new ATOM 0 HG22 VAL A 710 -2.567 -3.221 -0.995 1.00 0.00 H new ATOM 0 HG23 VAL A 710 -4.141 -3.674 -0.300 1.00 0.00 H new ATOM 337 N ARG A 711 -5.427 -6.630 -1.463 1.00 0.00 N ATOM 338 CA ARG A 711 -6.884 -6.589 -1.520 1.00 0.00 C ATOM 339 C ARG A 711 -7.485 -6.682 -0.121 1.00 0.00 C ATOM 340 O ARG A 711 -7.377 -7.713 0.544 1.00 0.00 O ATOM 341 CB ARG A 711 -7.413 -7.729 -2.392 1.00 0.00 C ATOM 342 CG ARG A 711 -8.930 -7.771 -2.484 1.00 0.00 C ATOM 343 CD ARG A 711 -9.404 -8.934 -3.341 1.00 0.00 C ATOM 344 NE ARG A 711 -9.570 -10.157 -2.561 1.00 0.00 N ATOM 345 CZ ARG A 711 -8.587 -11.019 -2.326 1.00 0.00 C ATOM 346 NH1 ARG A 711 -7.373 -10.792 -2.810 1.00 0.00 N ATOM 347 NH2 ARG A 711 -8.817 -12.110 -1.606 1.00 0.00 N ATOM 0 H ARG A 711 -5.044 -7.496 -1.084 1.00 0.00 H new ATOM 0 HA ARG A 711 -7.180 -5.637 -1.961 1.00 0.00 H new ATOM 0 HB2 ARG A 711 -6.999 -7.630 -3.395 1.00 0.00 H new ATOM 0 HB3 ARG A 711 -7.055 -8.678 -1.992 1.00 0.00 H new ATOM 0 HG2 ARG A 711 -9.354 -7.858 -1.484 1.00 0.00 H new ATOM 0 HG3 ARG A 711 -9.296 -6.835 -2.905 1.00 0.00 H new ATOM 0 HD2 ARG A 711 -10.351 -8.674 -3.813 1.00 0.00 H new ATOM 0 HD3 ARG A 711 -8.686 -9.110 -4.142 1.00 0.00 H new ATOM 0 HE ARG A 711 -10.492 -10.361 -2.175 1.00 0.00 H new ATOM 0 HH11 ARG A 711 -7.193 -9.954 -3.364 1.00 0.00 H new ATOM 0 HH12 ARG A 711 -6.619 -11.455 -2.629 1.00 0.00 H new ATOM 0 HH21 ARG A 711 -9.749 -12.287 -1.232 1.00 0.00 H new ATOM 0 HH22 ARG A 711 -8.061 -12.771 -1.426 1.00 0.00 H new ATOM 361 N ILE A 712 -8.119 -5.600 0.318 1.00 0.00 N ATOM 362 CA ILE A 712 -8.737 -5.561 1.637 1.00 0.00 C ATOM 363 C ILE A 712 -9.788 -6.656 1.784 1.00 0.00 C ATOM 364 O ILE A 712 -10.692 -6.778 0.957 1.00 0.00 O ATOM 365 CB ILE A 712 -9.394 -4.194 1.910 1.00 0.00 C ATOM 366 CG1 ILE A 712 -8.333 -3.092 1.946 1.00 0.00 C ATOM 367 CG2 ILE A 712 -10.171 -4.232 3.218 1.00 0.00 C ATOM 368 CD1 ILE A 712 -8.872 -1.724 1.592 1.00 0.00 C ATOM 0 H ILE A 712 -8.218 -4.739 -0.220 1.00 0.00 H new ATOM 0 HA ILE A 712 -7.941 -5.725 2.364 1.00 0.00 H new ATOM 0 HB ILE A 712 -10.092 -3.974 1.102 1.00 0.00 H new ATOM 0 HG12 ILE A 712 -7.894 -3.054 2.943 1.00 0.00 H new ATOM 0 HG13 ILE A 712 -7.531 -3.348 1.254 1.00 0.00 H new ATOM 0 HG21 ILE A 712 -10.629 -3.259 3.397 1.00 0.00 H new ATOM 0 HG22 ILE A 712 -10.948 -4.994 3.158 1.00 0.00 H new ATOM 0 HG23 ILE A 712 -9.493 -4.470 4.037 1.00 0.00 H new ATOM 0 HD11 ILE A 712 -8.066 -0.992 1.638 1.00 0.00 H new ATOM 0 HD12 ILE A 712 -9.286 -1.746 0.584 1.00 0.00 H new ATOM 0 HD13 ILE A 712 -9.654 -1.447 2.299 1.00 0.00 H new ATOM 380 N SER A 713 -9.665 -7.448 2.844 1.00 0.00 N ATOM 381 CA SER A 713 -10.603 -8.535 3.099 1.00 0.00 C ATOM 382 C SER A 713 -11.549 -8.179 4.243 1.00 0.00 C ATOM 383 O SER A 713 -12.670 -8.682 4.313 1.00 0.00 O ATOM 384 CB SER A 713 -9.847 -9.823 3.430 1.00 0.00 C ATOM 385 OG SER A 713 -10.732 -10.832 3.886 1.00 0.00 O ATOM 0 H SER A 713 -8.925 -7.357 3.540 1.00 0.00 H new ATOM 0 HA SER A 713 -11.194 -8.691 2.196 1.00 0.00 H new ATOM 0 HB2 SER A 713 -9.316 -10.174 2.545 1.00 0.00 H new ATOM 0 HB3 SER A 713 -9.096 -9.621 4.194 1.00 0.00 H new ATOM 0 HG SER A 713 -10.224 -11.645 4.089 1.00 0.00 H new ATOM 391 N GLN A 714 -11.087 -7.309 5.135 1.00 0.00 N ATOM 392 CA GLN A 714 -11.890 -6.887 6.276 1.00 0.00 C ATOM 393 C GLN A 714 -12.244 -5.407 6.174 1.00 0.00 C ATOM 394 O GLN A 714 -11.794 -4.712 5.264 1.00 0.00 O ATOM 395 CB GLN A 714 -11.141 -7.155 7.582 1.00 0.00 C ATOM 396 CG GLN A 714 -10.677 -8.595 7.732 1.00 0.00 C ATOM 397 CD GLN A 714 -11.832 -9.573 7.828 1.00 0.00 C ATOM 398 OE1 GLN A 714 -12.679 -9.639 6.937 1.00 0.00 O ATOM 399 NE2 GLN A 714 -11.871 -10.339 8.912 1.00 0.00 N ATOM 0 H GLN A 714 -10.161 -6.883 5.090 1.00 0.00 H new ATOM 0 HA GLN A 714 -12.814 -7.465 6.271 1.00 0.00 H new ATOM 0 HB2 GLN A 714 -10.275 -6.495 7.637 1.00 0.00 H new ATOM 0 HB3 GLN A 714 -11.788 -6.901 8.421 1.00 0.00 H new ATOM 0 HG2 GLN A 714 -10.050 -8.861 6.881 1.00 0.00 H new ATOM 0 HG3 GLN A 714 -10.057 -8.682 8.624 1.00 0.00 H new ATOM 0 HE21 GLN A 714 -11.147 -10.250 9.625 1.00 0.00 H new ATOM 0 HE22 GLN A 714 -12.624 -11.016 9.031 1.00 0.00 H new ATOM 408 N GLY A 715 -13.054 -4.930 7.115 1.00 0.00 N ATOM 409 CA GLY A 715 -13.455 -3.536 7.112 1.00 0.00 C ATOM 410 C GLY A 715 -14.532 -3.244 6.086 1.00 0.00 C ATOM 411 O GLY A 715 -14.950 -4.119 5.327 1.00 0.00 O ATOM 0 H GLY A 715 -13.439 -5.485 7.879 1.00 0.00 H new ATOM 0 HA2 GLY A 715 -13.818 -3.264 8.103 1.00 0.00 H new ATOM 0 HA3 GLY A 715 -12.585 -2.911 6.909 1.00 0.00 H new ATOM 415 N PRO A 716 -15.001 -1.988 6.056 1.00 0.00 N ATOM 416 CA PRO A 716 -16.043 -1.554 5.120 1.00 0.00 C ATOM 417 C PRO A 716 -15.547 -1.508 3.679 1.00 0.00 C ATOM 418 O PRO A 716 -16.296 -1.165 2.765 1.00 0.00 O ATOM 419 CB PRO A 716 -16.396 -0.147 5.610 1.00 0.00 C ATOM 420 CG PRO A 716 -15.171 0.328 6.312 1.00 0.00 C ATOM 421 CD PRO A 716 -14.549 -0.893 6.931 1.00 0.00 C ATOM 0 HA PRO A 716 -16.890 -2.241 5.106 1.00 0.00 H new ATOM 0 HB2 PRO A 716 -16.655 0.508 4.778 1.00 0.00 H new ATOM 0 HB3 PRO A 716 -17.255 -0.165 6.281 1.00 0.00 H new ATOM 0 HG2 PRO A 716 -14.483 0.806 5.615 1.00 0.00 H new ATOM 0 HG3 PRO A 716 -15.419 1.068 7.073 1.00 0.00 H new ATOM 0 HD2 PRO A 716 -13.462 -0.821 6.956 1.00 0.00 H new ATOM 0 HD3 PRO A 716 -14.882 -1.036 7.959 1.00 0.00 H new ATOM 429 N TYR A 717 -14.280 -1.856 3.484 1.00 0.00 N ATOM 430 CA TYR A 717 -13.683 -1.853 2.154 1.00 0.00 C ATOM 431 C TYR A 717 -13.292 -3.265 1.728 1.00 0.00 C ATOM 432 O TYR A 717 -12.299 -3.463 1.028 1.00 0.00 O ATOM 433 CB TYR A 717 -12.455 -0.942 2.125 1.00 0.00 C ATOM 434 CG TYR A 717 -12.747 0.482 2.542 1.00 0.00 C ATOM 435 CD1 TYR A 717 -12.838 0.829 3.885 1.00 0.00 C ATOM 436 CD2 TYR A 717 -12.934 1.480 1.594 1.00 0.00 C ATOM 437 CE1 TYR A 717 -13.106 2.128 4.271 1.00 0.00 C ATOM 438 CE2 TYR A 717 -13.201 2.782 1.971 1.00 0.00 C ATOM 439 CZ TYR A 717 -13.286 3.101 3.310 1.00 0.00 C ATOM 440 OH TYR A 717 -13.553 4.397 3.689 1.00 0.00 O ATOM 0 H TYR A 717 -13.647 -2.144 4.230 1.00 0.00 H new ATOM 0 HA TYR A 717 -14.426 -1.474 1.452 1.00 0.00 H new ATOM 0 HB2 TYR A 717 -11.691 -1.355 2.784 1.00 0.00 H new ATOM 0 HB3 TYR A 717 -12.039 -0.939 1.117 1.00 0.00 H new ATOM 0 HD1 TYR A 717 -12.697 0.070 4.640 1.00 0.00 H new ATOM 0 HD2 TYR A 717 -12.870 1.234 0.544 1.00 0.00 H new ATOM 0 HE1 TYR A 717 -13.174 2.380 5.319 1.00 0.00 H new ATOM 0 HE2 TYR A 717 -13.342 3.546 1.221 1.00 0.00 H new ATOM 0 HH TYR A 717 -13.652 4.957 2.891 1.00 0.00 H new ATOM 450 N LYS A 718 -14.081 -4.244 2.156 1.00 0.00 N ATOM 451 CA LYS A 718 -13.822 -5.639 1.820 1.00 0.00 C ATOM 452 C LYS A 718 -13.998 -5.880 0.324 1.00 0.00 C ATOM 453 O LYS A 718 -14.946 -5.389 -0.286 1.00 0.00 O ATOM 454 CB LYS A 718 -14.757 -6.558 2.609 1.00 0.00 C ATOM 455 CG LYS A 718 -14.819 -7.975 2.065 1.00 0.00 C ATOM 456 CD LYS A 718 -15.658 -8.878 2.954 1.00 0.00 C ATOM 457 CE LYS A 718 -15.789 -10.274 2.365 1.00 0.00 C ATOM 458 NZ LYS A 718 -16.455 -11.213 3.310 1.00 0.00 N ATOM 0 H LYS A 718 -14.906 -4.097 2.737 1.00 0.00 H new ATOM 0 HA LYS A 718 -12.790 -5.865 2.088 1.00 0.00 H new ATOM 0 HB2 LYS A 718 -14.429 -6.591 3.648 1.00 0.00 H new ATOM 0 HB3 LYS A 718 -15.760 -6.132 2.605 1.00 0.00 H new ATOM 0 HG2 LYS A 718 -15.239 -7.961 1.059 1.00 0.00 H new ATOM 0 HG3 LYS A 718 -13.810 -8.379 1.984 1.00 0.00 H new ATOM 0 HD2 LYS A 718 -15.204 -8.940 3.943 1.00 0.00 H new ATOM 0 HD3 LYS A 718 -16.649 -8.443 3.085 1.00 0.00 H new ATOM 0 HE2 LYS A 718 -16.360 -10.225 1.438 1.00 0.00 H new ATOM 0 HE3 LYS A 718 -14.800 -10.655 2.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 718 -16.526 -12.154 2.872 1.00 0.00 H new ATOM 0 HZ2 LYS A 718 -15.897 -11.279 4.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 718 -17.408 -10.863 3.533 1.00 0.00 H new ATOM 472 N GLY A 719 -13.077 -6.641 -0.261 1.00 0.00 N ATOM 473 CA GLY A 719 -13.150 -6.934 -1.680 1.00 0.00 C ATOM 474 C GLY A 719 -12.680 -5.775 -2.537 1.00 0.00 C ATOM 475 O GLY A 719 -13.127 -5.612 -3.672 1.00 0.00 O ATOM 0 H GLY A 719 -12.282 -7.059 0.223 1.00 0.00 H new ATOM 0 HA2 GLY A 719 -12.543 -7.813 -1.898 1.00 0.00 H new ATOM 0 HA3 GLY A 719 -14.178 -7.183 -1.944 1.00 0.00 H new ATOM 479 N TYR A 720 -11.776 -4.968 -1.992 1.00 0.00 N ATOM 480 CA TYR A 720 -11.247 -3.816 -2.713 1.00 0.00 C ATOM 481 C TYR A 720 -9.743 -3.951 -2.927 1.00 0.00 C ATOM 482 O TYR A 720 -9.020 -4.424 -2.049 1.00 0.00 O ATOM 483 CB TYR A 720 -11.552 -2.527 -1.949 1.00 0.00 C ATOM 484 CG TYR A 720 -12.962 -2.021 -2.152 1.00 0.00 C ATOM 485 CD1 TYR A 720 -14.055 -2.750 -1.700 1.00 0.00 C ATOM 486 CD2 TYR A 720 -13.201 -0.812 -2.795 1.00 0.00 C ATOM 487 CE1 TYR A 720 -15.345 -2.291 -1.885 1.00 0.00 C ATOM 488 CE2 TYR A 720 -14.488 -0.345 -2.983 1.00 0.00 C ATOM 489 CZ TYR A 720 -15.556 -1.089 -2.526 1.00 0.00 C ATOM 490 OH TYR A 720 -16.840 -0.628 -2.711 1.00 0.00 O ATOM 0 H TYR A 720 -11.395 -5.090 -1.054 1.00 0.00 H new ATOM 0 HA TYR A 720 -11.731 -3.775 -3.689 1.00 0.00 H new ATOM 0 HB2 TYR A 720 -11.386 -2.697 -0.885 1.00 0.00 H new ATOM 0 HB3 TYR A 720 -10.849 -1.755 -2.262 1.00 0.00 H new ATOM 0 HD1 TYR A 720 -13.894 -3.691 -1.196 1.00 0.00 H new ATOM 0 HD2 TYR A 720 -12.367 -0.228 -3.154 1.00 0.00 H new ATOM 0 HE1 TYR A 720 -16.184 -2.871 -1.529 1.00 0.00 H new ATOM 0 HE2 TYR A 720 -14.657 0.597 -3.485 1.00 0.00 H new ATOM 0 HH TYR A 720 -16.814 0.233 -3.178 1.00 0.00 H new ATOM 500 N ILE A 721 -9.279 -3.531 -4.099 1.00 0.00 N ATOM 501 CA ILE A 721 -7.861 -3.603 -4.429 1.00 0.00 C ATOM 502 C ILE A 721 -7.166 -2.272 -4.163 1.00 0.00 C ATOM 503 O ILE A 721 -7.799 -1.217 -4.173 1.00 0.00 O ATOM 504 CB ILE A 721 -7.644 -3.997 -5.902 1.00 0.00 C ATOM 505 CG1 ILE A 721 -8.365 -5.310 -6.213 1.00 0.00 C ATOM 506 CG2 ILE A 721 -6.158 -4.118 -6.205 1.00 0.00 C ATOM 507 CD1 ILE A 721 -7.758 -6.511 -5.522 1.00 0.00 C ATOM 0 H ILE A 721 -9.864 -3.137 -4.836 1.00 0.00 H new ATOM 0 HA ILE A 721 -7.427 -4.371 -3.789 1.00 0.00 H new ATOM 0 HB ILE A 721 -8.062 -3.216 -6.537 1.00 0.00 H new ATOM 0 HG12 ILE A 721 -9.410 -5.220 -5.917 1.00 0.00 H new ATOM 0 HG13 ILE A 721 -8.352 -5.476 -7.290 1.00 0.00 H new ATOM 0 HG21 ILE A 721 -6.021 -4.397 -7.250 1.00 0.00 H new ATOM 0 HG22 ILE A 721 -5.669 -3.162 -6.018 1.00 0.00 H new ATOM 0 HG23 ILE A 721 -5.717 -4.882 -5.565 1.00 0.00 H new ATOM 0 HD11 ILE A 721 -8.320 -7.406 -5.788 1.00 0.00 H new ATOM 0 HD12 ILE A 721 -6.721 -6.626 -5.837 1.00 0.00 H new ATOM 0 HD13 ILE A 721 -7.795 -6.367 -4.442 1.00 0.00 H new ATOM 519 N GLY A 722 -5.859 -2.329 -3.925 1.00 0.00 N ATOM 520 CA GLY A 722 -5.100 -1.121 -3.661 1.00 0.00 C ATOM 521 C GLY A 722 -3.610 -1.382 -3.564 1.00 0.00 C ATOM 522 O GLY A 722 -3.186 -2.507 -3.298 1.00 0.00 O ATOM 0 H GLY A 722 -5.313 -3.190 -3.910 1.00 0.00 H new ATOM 0 HA2 GLY A 722 -5.288 -0.397 -4.454 1.00 0.00 H new ATOM 0 HA3 GLY A 722 -5.449 -0.673 -2.731 1.00 0.00 H new ATOM 526 N VAL A 723 -2.812 -0.341 -3.781 1.00 0.00 N ATOM 527 CA VAL A 723 -1.361 -0.464 -3.716 1.00 0.00 C ATOM 528 C VAL A 723 -0.823 0.062 -2.390 1.00 0.00 C ATOM 529 O VAL A 723 -1.154 1.170 -1.969 1.00 0.00 O ATOM 530 CB VAL A 723 -0.682 0.297 -4.870 1.00 0.00 C ATOM 531 CG1 VAL A 723 0.814 0.417 -4.624 1.00 0.00 C ATOM 532 CG2 VAL A 723 -0.958 -0.392 -6.198 1.00 0.00 C ATOM 0 H VAL A 723 -3.146 0.597 -4.003 1.00 0.00 H new ATOM 0 HA VAL A 723 -1.129 -1.525 -3.803 1.00 0.00 H new ATOM 0 HB VAL A 723 -1.101 1.302 -4.914 1.00 0.00 H new ATOM 0 HG11 VAL A 723 1.276 0.958 -5.450 1.00 0.00 H new ATOM 0 HG12 VAL A 723 0.988 0.958 -3.694 1.00 0.00 H new ATOM 0 HG13 VAL A 723 1.252 -0.579 -4.552 1.00 0.00 H new ATOM 0 HG21 VAL A 723 -0.471 0.159 -7.002 1.00 0.00 H new ATOM 0 HG22 VAL A 723 -0.569 -1.410 -6.168 1.00 0.00 H new ATOM 0 HG23 VAL A 723 -2.033 -0.420 -6.377 1.00 0.00 H new ATOM 542 N VAL A 724 0.009 -0.741 -1.735 1.00 0.00 N ATOM 543 CA VAL A 724 0.595 -0.357 -0.456 1.00 0.00 C ATOM 544 C VAL A 724 1.524 0.841 -0.615 1.00 0.00 C ATOM 545 O VAL A 724 2.568 0.750 -1.261 1.00 0.00 O ATOM 546 CB VAL A 724 1.381 -1.522 0.174 1.00 0.00 C ATOM 547 CG1 VAL A 724 1.832 -1.163 1.582 1.00 0.00 C ATOM 548 CG2 VAL A 724 0.539 -2.789 0.182 1.00 0.00 C ATOM 0 H VAL A 724 0.293 -1.662 -2.069 1.00 0.00 H new ATOM 0 HA VAL A 724 -0.231 -0.088 0.202 1.00 0.00 H new ATOM 0 HB VAL A 724 2.269 -1.707 -0.430 1.00 0.00 H new ATOM 0 HG11 VAL A 724 2.386 -1.998 2.011 1.00 0.00 H new ATOM 0 HG12 VAL A 724 2.474 -0.283 1.545 1.00 0.00 H new ATOM 0 HG13 VAL A 724 0.960 -0.950 2.200 1.00 0.00 H new ATOM 0 HG21 VAL A 724 1.110 -3.602 0.630 1.00 0.00 H new ATOM 0 HG22 VAL A 724 -0.368 -2.619 0.762 1.00 0.00 H new ATOM 0 HG23 VAL A 724 0.271 -3.055 -0.841 1.00 0.00 H new ATOM 558 N LYS A 725 1.138 1.965 -0.021 1.00 0.00 N ATOM 559 CA LYS A 725 1.936 3.183 -0.094 1.00 0.00 C ATOM 560 C LYS A 725 2.905 3.270 1.081 1.00 0.00 C ATOM 561 O LYS A 725 4.052 3.688 0.923 1.00 0.00 O ATOM 562 CB LYS A 725 1.026 4.413 -0.111 1.00 0.00 C ATOM 563 CG LYS A 725 -0.099 4.324 -1.127 1.00 0.00 C ATOM 564 CD LYS A 725 0.326 4.874 -2.478 1.00 0.00 C ATOM 565 CE LYS A 725 0.929 3.789 -3.358 1.00 0.00 C ATOM 566 NZ LYS A 725 1.835 4.356 -4.395 1.00 0.00 N ATOM 0 H LYS A 725 0.276 2.058 0.517 1.00 0.00 H new ATOM 0 HA LYS A 725 2.514 3.154 -1.017 1.00 0.00 H new ATOM 0 HB2 LYS A 725 0.597 4.551 0.882 1.00 0.00 H new ATOM 0 HB3 LYS A 725 1.628 5.297 -0.324 1.00 0.00 H new ATOM 0 HG2 LYS A 725 -0.410 3.285 -1.237 1.00 0.00 H new ATOM 0 HG3 LYS A 725 -0.964 4.878 -0.763 1.00 0.00 H new ATOM 0 HD2 LYS A 725 -0.536 5.314 -2.980 1.00 0.00 H new ATOM 0 HD3 LYS A 725 1.053 5.673 -2.334 1.00 0.00 H new ATOM 0 HE2 LYS A 725 1.483 3.084 -2.738 1.00 0.00 H new ATOM 0 HE3 LYS A 725 0.130 3.228 -3.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 725 2.226 3.585 -4.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 725 1.301 5.009 -5.003 1.00 0.00 H new ATOM 0 HZ3 LYS A 725 2.612 4.870 -3.933 1.00 0.00 H new ATOM 580 N ASP A 726 2.437 2.871 2.258 1.00 0.00 N ATOM 581 CA ASP A 726 3.263 2.901 3.460 1.00 0.00 C ATOM 582 C ASP A 726 2.990 1.684 4.338 1.00 0.00 C ATOM 583 O ASP A 726 1.881 1.152 4.351 1.00 0.00 O ATOM 584 CB ASP A 726 3.003 4.184 4.251 1.00 0.00 C ATOM 585 CG ASP A 726 4.206 4.616 5.065 1.00 0.00 C ATOM 586 OD1 ASP A 726 5.094 5.288 4.500 1.00 0.00 O ATOM 587 OD2 ASP A 726 4.261 4.281 6.267 1.00 0.00 O ATOM 0 H ASP A 726 1.490 2.523 2.406 1.00 0.00 H new ATOM 0 HA ASP A 726 4.309 2.878 3.153 1.00 0.00 H new ATOM 0 HB2 ASP A 726 2.728 4.983 3.562 1.00 0.00 H new ATOM 0 HB3 ASP A 726 2.154 4.031 4.917 1.00 0.00 H new ATOM 592 N ALA A 727 4.011 1.247 5.068 1.00 0.00 N ATOM 593 CA ALA A 727 3.881 0.093 5.949 1.00 0.00 C ATOM 594 C ALA A 727 3.941 0.511 7.414 1.00 0.00 C ATOM 595 O ALA A 727 4.961 1.014 7.887 1.00 0.00 O ATOM 596 CB ALA A 727 4.968 -0.928 5.645 1.00 0.00 C ATOM 0 H ALA A 727 4.937 1.675 5.067 1.00 0.00 H new ATOM 0 HA ALA A 727 2.908 -0.363 5.768 1.00 0.00 H new ATOM 0 HB1 ALA A 727 4.859 -1.785 6.310 1.00 0.00 H new ATOM 0 HB2 ALA A 727 4.878 -1.258 4.610 1.00 0.00 H new ATOM 0 HB3 ALA A 727 5.947 -0.473 5.797 1.00 0.00 H new ATOM 602 N THR A 728 2.841 0.301 8.130 1.00 0.00 N ATOM 603 CA THR A 728 2.768 0.658 9.542 1.00 0.00 C ATOM 604 C THR A 728 2.892 -0.575 10.428 1.00 0.00 C ATOM 605 O THR A 728 2.624 -1.694 9.991 1.00 0.00 O ATOM 606 CB THR A 728 1.448 1.382 9.870 1.00 0.00 C ATOM 607 OG1 THR A 728 0.991 2.111 8.726 1.00 0.00 O ATOM 608 CG2 THR A 728 1.630 2.333 11.044 1.00 0.00 C ATOM 0 H THR A 728 1.988 -0.115 7.755 1.00 0.00 H new ATOM 0 HA THR A 728 3.602 1.330 9.742 1.00 0.00 H new ATOM 0 HB THR A 728 0.706 0.631 10.142 1.00 0.00 H new ATOM 0 HG1 THR A 728 0.012 2.158 8.737 1.00 0.00 H new ATOM 0 HG21 THR A 728 0.685 2.833 11.257 1.00 0.00 H new ATOM 0 HG22 THR A 728 1.949 1.771 11.922 1.00 0.00 H new ATOM 0 HG23 THR A 728 2.386 3.078 10.795 1.00 0.00 H new ATOM 616 N GLU A 729 3.299 -0.364 11.676 1.00 0.00 N ATOM 617 CA GLU A 729 3.458 -1.460 12.623 1.00 0.00 C ATOM 618 C GLU A 729 2.254 -2.397 12.579 1.00 0.00 C ATOM 619 O GLU A 729 2.352 -3.530 12.108 1.00 0.00 O ATOM 620 CB GLU A 729 3.643 -0.916 14.041 1.00 0.00 C ATOM 621 CG GLU A 729 4.146 -1.954 15.031 1.00 0.00 C ATOM 622 CD GLU A 729 5.632 -2.222 14.889 1.00 0.00 C ATOM 623 OE1 GLU A 729 6.079 -2.505 13.758 1.00 0.00 O ATOM 624 OE2 GLU A 729 6.347 -2.149 15.910 1.00 0.00 O ATOM 0 H GLU A 729 3.524 0.556 12.054 1.00 0.00 H new ATOM 0 HA GLU A 729 4.346 -2.024 12.339 1.00 0.00 H new ATOM 0 HB2 GLU A 729 4.345 -0.083 14.013 1.00 0.00 H new ATOM 0 HB3 GLU A 729 2.692 -0.519 14.396 1.00 0.00 H new ATOM 0 HG2 GLU A 729 3.937 -1.615 16.046 1.00 0.00 H new ATOM 0 HG3 GLU A 729 3.597 -2.885 14.887 1.00 0.00 H new ATOM 631 N SER A 730 1.118 -1.914 13.074 1.00 0.00 N ATOM 632 CA SER A 730 -0.105 -2.709 13.095 1.00 0.00 C ATOM 633 C SER A 730 -1.088 -2.221 12.036 1.00 0.00 C ATOM 634 O SER A 730 -2.296 -2.431 12.148 1.00 0.00 O ATOM 635 CB SER A 730 -0.755 -2.645 14.479 1.00 0.00 C ATOM 636 OG SER A 730 -0.236 -3.651 15.333 1.00 0.00 O ATOM 0 H SER A 730 1.019 -0.977 13.465 1.00 0.00 H new ATOM 0 HA SER A 730 0.158 -3.743 12.872 1.00 0.00 H new ATOM 0 HB2 SER A 730 -0.582 -1.664 14.921 1.00 0.00 H new ATOM 0 HB3 SER A 730 -1.834 -2.766 14.383 1.00 0.00 H new ATOM 0 HG SER A 730 -0.666 -3.588 16.211 1.00 0.00 H new ATOM 642 N THR A 731 -0.562 -1.566 11.005 1.00 0.00 N ATOM 643 CA THR A 731 -1.391 -1.047 9.926 1.00 0.00 C ATOM 644 C THR A 731 -0.575 -0.844 8.654 1.00 0.00 C ATOM 645 O THR A 731 0.647 -0.990 8.660 1.00 0.00 O ATOM 646 CB THR A 731 -2.051 0.289 10.317 1.00 0.00 C ATOM 647 OG1 THR A 731 -1.217 0.995 11.243 1.00 0.00 O ATOM 648 CG2 THR A 731 -3.421 0.055 10.937 1.00 0.00 C ATOM 0 H THR A 731 0.435 -1.383 10.896 1.00 0.00 H new ATOM 0 HA THR A 731 -2.169 -1.788 9.741 1.00 0.00 H new ATOM 0 HB THR A 731 -2.176 0.885 9.413 1.00 0.00 H new ATOM 0 HG1 THR A 731 -1.643 1.844 11.485 1.00 0.00 H new ATOM 0 HG21 THR A 731 -3.867 1.013 11.205 1.00 0.00 H new ATOM 0 HG22 THR A 731 -4.063 -0.456 10.219 1.00 0.00 H new ATOM 0 HG23 THR A 731 -3.316 -0.559 11.831 1.00 0.00 H new ATOM 656 N ALA A 732 -1.258 -0.505 7.566 1.00 0.00 N ATOM 657 CA ALA A 732 -0.596 -0.279 6.287 1.00 0.00 C ATOM 658 C ALA A 732 -1.372 0.720 5.436 1.00 0.00 C ATOM 659 O ALA A 732 -2.531 0.487 5.091 1.00 0.00 O ATOM 660 CB ALA A 732 -0.427 -1.593 5.541 1.00 0.00 C ATOM 0 H ALA A 732 -2.270 -0.381 7.545 1.00 0.00 H new ATOM 0 HA ALA A 732 0.390 0.142 6.485 1.00 0.00 H new ATOM 0 HB1 ALA A 732 0.069 -1.409 4.588 1.00 0.00 H new ATOM 0 HB2 ALA A 732 0.177 -2.276 6.139 1.00 0.00 H new ATOM 0 HB3 ALA A 732 -1.406 -2.038 5.361 1.00 0.00 H new ATOM 666 N ARG A 733 -0.727 1.832 5.099 1.00 0.00 N ATOM 667 CA ARG A 733 -1.358 2.866 4.289 1.00 0.00 C ATOM 668 C ARG A 733 -1.433 2.441 2.826 1.00 0.00 C ATOM 669 O ARG A 733 -0.468 2.587 2.076 1.00 0.00 O ATOM 670 CB ARG A 733 -0.586 4.181 4.410 1.00 0.00 C ATOM 671 CG ARG A 733 -0.387 4.641 5.845 1.00 0.00 C ATOM 672 CD ARG A 733 -1.653 5.265 6.411 1.00 0.00 C ATOM 673 NE ARG A 733 -1.361 6.284 7.414 1.00 0.00 N ATOM 674 CZ ARG A 733 -0.898 6.009 8.629 1.00 0.00 C ATOM 675 NH1 ARG A 733 -0.676 4.752 8.988 1.00 0.00 N ATOM 676 NH2 ARG A 733 -0.655 6.991 9.486 1.00 0.00 N ATOM 0 H ARG A 733 0.233 2.040 5.375 1.00 0.00 H new ATOM 0 HA ARG A 733 -2.373 3.013 4.659 1.00 0.00 H new ATOM 0 HB2 ARG A 733 0.389 4.065 3.936 1.00 0.00 H new ATOM 0 HB3 ARG A 733 -1.118 4.957 3.859 1.00 0.00 H new ATOM 0 HG2 ARG A 733 -0.091 3.793 6.462 1.00 0.00 H new ATOM 0 HG3 ARG A 733 0.427 5.365 5.887 1.00 0.00 H new ATOM 0 HD2 ARG A 733 -2.231 5.709 5.601 1.00 0.00 H new ATOM 0 HD3 ARG A 733 -2.273 4.487 6.855 1.00 0.00 H new ATOM 0 HE ARG A 733 -1.521 7.261 7.169 1.00 0.00 H new ATOM 0 HH11 ARG A 733 -0.861 3.994 8.331 1.00 0.00 H new ATOM 0 HH12 ARG A 733 -0.321 4.543 9.921 1.00 0.00 H new ATOM 0 HH21 ARG A 733 -0.823 7.959 9.213 1.00 0.00 H new ATOM 0 HH22 ARG A 733 -0.300 6.778 10.418 1.00 0.00 H new ATOM 690 N VAL A 734 -2.586 1.913 2.427 1.00 0.00 N ATOM 691 CA VAL A 734 -2.788 1.467 1.053 1.00 0.00 C ATOM 692 C VAL A 734 -3.640 2.460 0.272 1.00 0.00 C ATOM 693 O VAL A 734 -4.549 3.080 0.823 1.00 0.00 O ATOM 694 CB VAL A 734 -3.461 0.082 1.006 1.00 0.00 C ATOM 695 CG1 VAL A 734 -3.675 -0.359 -0.433 1.00 0.00 C ATOM 696 CG2 VAL A 734 -2.630 -0.940 1.768 1.00 0.00 C ATOM 0 H VAL A 734 -3.394 1.784 3.036 1.00 0.00 H new ATOM 0 HA VAL A 734 -1.802 1.400 0.594 1.00 0.00 H new ATOM 0 HB VAL A 734 -4.436 0.155 1.487 1.00 0.00 H new ATOM 0 HG11 VAL A 734 -4.151 -1.339 -0.446 1.00 0.00 H new ATOM 0 HG12 VAL A 734 -4.314 0.362 -0.943 1.00 0.00 H new ATOM 0 HG13 VAL A 734 -2.713 -0.416 -0.943 1.00 0.00 H new ATOM 0 HG21 VAL A 734 -3.120 -1.913 1.725 1.00 0.00 H new ATOM 0 HG22 VAL A 734 -1.640 -1.012 1.318 1.00 0.00 H new ATOM 0 HG23 VAL A 734 -2.534 -0.628 2.808 1.00 0.00 H new ATOM 706 N GLU A 735 -3.339 2.606 -1.015 1.00 0.00 N ATOM 707 CA GLU A 735 -4.079 3.525 -1.872 1.00 0.00 C ATOM 708 C GLU A 735 -5.037 2.766 -2.785 1.00 0.00 C ATOM 709 O GLU A 735 -4.628 2.199 -3.799 1.00 0.00 O ATOM 710 CB GLU A 735 -3.112 4.363 -2.712 1.00 0.00 C ATOM 711 CG GLU A 735 -3.805 5.255 -3.728 1.00 0.00 C ATOM 712 CD GLU A 735 -2.845 5.828 -4.752 1.00 0.00 C ATOM 713 OE1 GLU A 735 -1.922 5.101 -5.173 1.00 0.00 O ATOM 714 OE2 GLU A 735 -3.018 7.005 -5.133 1.00 0.00 O ATOM 0 H GLU A 735 -2.589 2.100 -1.486 1.00 0.00 H new ATOM 0 HA GLU A 735 -4.663 4.188 -1.233 1.00 0.00 H new ATOM 0 HB2 GLU A 735 -2.510 4.983 -2.048 1.00 0.00 H new ATOM 0 HB3 GLU A 735 -2.426 3.696 -3.234 1.00 0.00 H new ATOM 0 HG2 GLU A 735 -4.578 4.683 -4.241 1.00 0.00 H new ATOM 0 HG3 GLU A 735 -4.305 6.072 -3.208 1.00 0.00 H new ATOM 721 N LEU A 736 -6.314 2.759 -2.419 1.00 0.00 N ATOM 722 CA LEU A 736 -7.332 2.070 -3.204 1.00 0.00 C ATOM 723 C LEU A 736 -7.240 2.458 -4.676 1.00 0.00 C ATOM 724 O LEU A 736 -6.655 3.485 -5.023 1.00 0.00 O ATOM 725 CB LEU A 736 -8.726 2.395 -2.665 1.00 0.00 C ATOM 726 CG LEU A 736 -9.134 1.673 -1.380 1.00 0.00 C ATOM 727 CD1 LEU A 736 -10.308 2.380 -0.720 1.00 0.00 C ATOM 728 CD2 LEU A 736 -9.479 0.220 -1.671 1.00 0.00 C ATOM 0 H LEU A 736 -6.669 3.223 -1.583 1.00 0.00 H new ATOM 0 HA LEU A 736 -7.157 0.997 -3.119 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -8.784 3.469 -2.489 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -9.457 2.159 -3.438 1.00 0.00 H new ATOM 0 HG LEU A 736 -8.290 1.694 -0.691 1.00 0.00 H new ATOM 0 HD11 LEU A 736 -10.584 1.852 0.193 1.00 0.00 H new ATOM 0 HD12 LEU A 736 -10.025 3.404 -0.475 1.00 0.00 H new ATOM 0 HD13 LEU A 736 -11.157 2.391 -1.404 1.00 0.00 H new ATOM 0 HD21 LEU A 736 -9.767 -0.278 -0.745 1.00 0.00 H new ATOM 0 HD22 LEU A 736 -10.307 0.177 -2.379 1.00 0.00 H new ATOM 0 HD23 LEU A 736 -8.611 -0.282 -2.098 1.00 0.00 H new ATOM 740 N HIS A 737 -7.823 1.632 -5.538 1.00 0.00 N ATOM 741 CA HIS A 737 -7.809 1.890 -6.974 1.00 0.00 C ATOM 742 C HIS A 737 -9.014 2.731 -7.386 1.00 0.00 C ATOM 743 O HIS A 737 -8.864 3.853 -7.870 1.00 0.00 O ATOM 744 CB HIS A 737 -7.802 0.573 -7.750 1.00 0.00 C ATOM 745 CG HIS A 737 -6.446 -0.054 -7.854 1.00 0.00 C ATOM 746 ND1 HIS A 737 -6.121 -0.991 -8.812 1.00 0.00 N ATOM 747 CD2 HIS A 737 -5.328 0.128 -7.112 1.00 0.00 C ATOM 748 CE1 HIS A 737 -4.862 -1.360 -8.654 1.00 0.00 C ATOM 749 NE2 HIS A 737 -4.358 -0.695 -7.630 1.00 0.00 N ATOM 0 H HIS A 737 -8.311 0.778 -5.268 1.00 0.00 H new ATOM 0 HA HIS A 737 -6.902 2.446 -7.210 1.00 0.00 H new ATOM 0 HB2 HIS A 737 -8.481 -0.128 -7.265 1.00 0.00 H new ATOM 0 HB3 HIS A 737 -8.189 0.750 -8.753 1.00 0.00 H new ATOM 0 HD1 HIS A 737 -6.753 -1.344 -9.530 1.00 0.00 H new ATOM 0 HD2 HIS A 737 -5.219 0.796 -6.270 1.00 0.00 H new ATOM 0 HE1 HIS A 737 -4.335 -2.083 -9.259 1.00 0.00 H new ATOM 757 N SER A 738 -10.208 2.181 -7.191 1.00 0.00 N ATOM 758 CA SER A 738 -11.438 2.878 -7.547 1.00 0.00 C ATOM 759 C SER A 738 -11.487 4.258 -6.898 1.00 0.00 C ATOM 760 O SER A 738 -11.375 5.280 -7.575 1.00 0.00 O ATOM 761 CB SER A 738 -12.656 2.057 -7.120 1.00 0.00 C ATOM 762 OG SER A 738 -13.788 2.373 -7.912 1.00 0.00 O ATOM 0 H SER A 738 -10.350 1.255 -6.788 1.00 0.00 H new ATOM 0 HA SER A 738 -11.455 3.004 -8.630 1.00 0.00 H new ATOM 0 HB2 SER A 738 -12.431 0.994 -7.209 1.00 0.00 H new ATOM 0 HB3 SER A 738 -12.878 2.249 -6.070 1.00 0.00 H new ATOM 0 HG SER A 738 -14.552 1.834 -7.620 1.00 0.00 H new ATOM 768 N THR A 739 -11.657 4.279 -5.579 1.00 0.00 N ATOM 769 CA THR A 739 -11.723 5.532 -4.837 1.00 0.00 C ATOM 770 C THR A 739 -10.454 6.354 -5.032 1.00 0.00 C ATOM 771 O THR A 739 -10.501 7.583 -5.080 1.00 0.00 O ATOM 772 CB THR A 739 -11.933 5.283 -3.332 1.00 0.00 C ATOM 773 OG1 THR A 739 -10.851 4.504 -2.808 1.00 0.00 O ATOM 774 CG2 THR A 739 -13.250 4.563 -3.081 1.00 0.00 C ATOM 0 H THR A 739 -11.751 3.442 -5.003 1.00 0.00 H new ATOM 0 HA THR A 739 -12.576 6.087 -5.229 1.00 0.00 H new ATOM 0 HB THR A 739 -11.963 6.249 -2.828 1.00 0.00 H new ATOM 0 HG1 THR A 739 -10.953 3.571 -3.090 1.00 0.00 H new ATOM 0 HG21 THR A 739 -13.376 4.398 -2.011 1.00 0.00 H new ATOM 0 HG22 THR A 739 -14.074 5.171 -3.454 1.00 0.00 H new ATOM 0 HG23 THR A 739 -13.244 3.603 -3.598 1.00 0.00 H new ATOM 782 N CYS A 740 -9.322 5.668 -5.144 1.00 0.00 N ATOM 783 CA CYS A 740 -8.039 6.335 -5.334 1.00 0.00 C ATOM 784 C CYS A 740 -7.668 7.159 -4.106 1.00 0.00 C ATOM 785 O CYS A 740 -7.169 8.278 -4.225 1.00 0.00 O ATOM 786 CB CYS A 740 -8.086 7.234 -6.571 1.00 0.00 C ATOM 787 SG CYS A 740 -6.460 7.663 -7.234 1.00 0.00 S ATOM 0 H CYS A 740 -9.267 4.650 -5.107 1.00 0.00 H new ATOM 0 HA CYS A 740 -7.277 5.569 -5.479 1.00 0.00 H new ATOM 0 HB2 CYS A 740 -8.663 6.734 -7.349 1.00 0.00 H new ATOM 0 HB3 CYS A 740 -8.618 8.152 -6.320 1.00 0.00 H new ATOM 0 HG CYS A 740 -6.604 8.423 -8.279 1.00 0.00 H new ATOM 793 N GLN A 741 -7.916 6.598 -2.927 1.00 0.00 N ATOM 794 CA GLN A 741 -7.609 7.283 -1.676 1.00 0.00 C ATOM 795 C GLN A 741 -6.789 6.388 -0.753 1.00 0.00 C ATOM 796 O GLN A 741 -6.967 5.170 -0.731 1.00 0.00 O ATOM 797 CB GLN A 741 -8.899 7.712 -0.976 1.00 0.00 C ATOM 798 CG GLN A 741 -9.730 6.547 -0.462 1.00 0.00 C ATOM 799 CD GLN A 741 -11.158 6.943 -0.146 1.00 0.00 C ATOM 800 OE1 GLN A 741 -11.576 8.071 -0.412 1.00 0.00 O ATOM 801 NE2 GLN A 741 -11.917 6.016 0.427 1.00 0.00 N ATOM 0 H GLN A 741 -8.328 5.672 -2.811 1.00 0.00 H new ATOM 0 HA GLN A 741 -7.019 8.169 -1.911 1.00 0.00 H new ATOM 0 HB2 GLN A 741 -8.649 8.365 -0.140 1.00 0.00 H new ATOM 0 HB3 GLN A 741 -9.501 8.298 -1.670 1.00 0.00 H new ATOM 0 HG2 GLN A 741 -9.734 5.752 -1.208 1.00 0.00 H new ATOM 0 HG3 GLN A 741 -9.263 6.140 0.435 1.00 0.00 H new ATOM 0 HE21 GLN A 741 -11.530 5.094 0.630 1.00 0.00 H new ATOM 0 HE22 GLN A 741 -12.887 6.226 0.664 1.00 0.00 H new ATOM 810 N THR A 742 -5.888 7.001 0.010 1.00 0.00 N ATOM 811 CA THR A 742 -5.039 6.260 0.934 1.00 0.00 C ATOM 812 C THR A 742 -5.743 6.035 2.268 1.00 0.00 C ATOM 813 O THR A 742 -6.327 6.959 2.835 1.00 0.00 O ATOM 814 CB THR A 742 -3.709 6.995 1.187 1.00 0.00 C ATOM 815 OG1 THR A 742 -3.111 7.367 -0.060 1.00 0.00 O ATOM 816 CG2 THR A 742 -2.747 6.118 1.974 1.00 0.00 C ATOM 0 H THR A 742 -5.728 8.008 0.006 1.00 0.00 H new ATOM 0 HA THR A 742 -4.831 5.297 0.469 1.00 0.00 H new ATOM 0 HB THR A 742 -3.920 7.891 1.771 1.00 0.00 H new ATOM 0 HG1 THR A 742 -2.267 7.835 0.109 1.00 0.00 H new ATOM 0 HG21 THR A 742 -1.815 6.658 2.140 1.00 0.00 H new ATOM 0 HG22 THR A 742 -3.193 5.860 2.934 1.00 0.00 H new ATOM 0 HG23 THR A 742 -2.543 5.207 1.412 1.00 0.00 H new ATOM 824 N ILE A 743 -5.684 4.804 2.762 1.00 0.00 N ATOM 825 CA ILE A 743 -6.314 4.459 4.030 1.00 0.00 C ATOM 826 C ILE A 743 -5.453 3.485 4.826 1.00 0.00 C ATOM 827 O ILE A 743 -4.724 2.674 4.254 1.00 0.00 O ATOM 828 CB ILE A 743 -7.707 3.837 3.816 1.00 0.00 C ATOM 829 CG1 ILE A 743 -7.603 2.593 2.931 1.00 0.00 C ATOM 830 CG2 ILE A 743 -8.652 4.856 3.197 1.00 0.00 C ATOM 831 CD1 ILE A 743 -8.687 1.572 3.196 1.00 0.00 C ATOM 0 H ILE A 743 -5.206 4.028 2.303 1.00 0.00 H new ATOM 0 HA ILE A 743 -6.421 5.388 4.591 1.00 0.00 H new ATOM 0 HB ILE A 743 -8.109 3.539 4.784 1.00 0.00 H new ATOM 0 HG12 ILE A 743 -7.648 2.896 1.885 1.00 0.00 H new ATOM 0 HG13 ILE A 743 -6.630 2.127 3.086 1.00 0.00 H new ATOM 0 HG21 ILE A 743 -9.632 4.402 3.052 1.00 0.00 H new ATOM 0 HG22 ILE A 743 -8.745 5.716 3.860 1.00 0.00 H new ATOM 0 HG23 ILE A 743 -8.257 5.181 2.235 1.00 0.00 H new ATOM 0 HD11 ILE A 743 -8.551 0.717 2.533 1.00 0.00 H new ATOM 0 HD12 ILE A 743 -8.629 1.240 4.233 1.00 0.00 H new ATOM 0 HD13 ILE A 743 -9.663 2.022 3.013 1.00 0.00 H new ATOM 843 N SER A 744 -5.542 3.570 6.150 1.00 0.00 N ATOM 844 CA SER A 744 -4.769 2.697 7.026 1.00 0.00 C ATOM 845 C SER A 744 -5.557 1.438 7.372 1.00 0.00 C ATOM 846 O SER A 744 -6.622 1.507 7.985 1.00 0.00 O ATOM 847 CB SER A 744 -4.382 3.438 8.307 1.00 0.00 C ATOM 848 OG SER A 744 -5.526 3.739 9.087 1.00 0.00 O ATOM 0 H SER A 744 -6.142 4.234 6.639 1.00 0.00 H new ATOM 0 HA SER A 744 -3.863 2.403 6.497 1.00 0.00 H new ATOM 0 HB2 SER A 744 -3.691 2.828 8.889 1.00 0.00 H new ATOM 0 HB3 SER A 744 -3.858 4.360 8.054 1.00 0.00 H new ATOM 0 HG SER A 744 -6.206 3.046 8.952 1.00 0.00 H new ATOM 854 N VAL A 745 -5.026 0.286 6.973 1.00 0.00 N ATOM 855 CA VAL A 745 -5.678 -0.990 7.241 1.00 0.00 C ATOM 856 C VAL A 745 -4.701 -1.990 7.849 1.00 0.00 C ATOM 857 O VAL A 745 -3.528 -2.030 7.479 1.00 0.00 O ATOM 858 CB VAL A 745 -6.280 -1.593 5.958 1.00 0.00 C ATOM 859 CG1 VAL A 745 -7.124 -2.815 6.287 1.00 0.00 C ATOM 860 CG2 VAL A 745 -7.103 -0.551 5.215 1.00 0.00 C ATOM 0 H VAL A 745 -4.146 0.211 6.463 1.00 0.00 H new ATOM 0 HA VAL A 745 -6.480 -0.792 7.952 1.00 0.00 H new ATOM 0 HB VAL A 745 -5.464 -1.909 5.308 1.00 0.00 H new ATOM 0 HG11 VAL A 745 -7.541 -3.227 5.368 1.00 0.00 H new ATOM 0 HG12 VAL A 745 -6.502 -3.567 6.773 1.00 0.00 H new ATOM 0 HG13 VAL A 745 -7.935 -2.528 6.956 1.00 0.00 H new ATOM 0 HG21 VAL A 745 -7.521 -0.994 4.311 1.00 0.00 H new ATOM 0 HG22 VAL A 745 -7.913 -0.202 5.856 1.00 0.00 H new ATOM 0 HG23 VAL A 745 -6.466 0.291 4.945 1.00 0.00 H new ATOM 870 N ASP A 746 -5.193 -2.795 8.784 1.00 0.00 N ATOM 871 CA ASP A 746 -4.363 -3.797 9.444 1.00 0.00 C ATOM 872 C ASP A 746 -3.547 -4.583 8.423 1.00 0.00 C ATOM 873 O ASP A 746 -4.094 -5.137 7.469 1.00 0.00 O ATOM 874 CB ASP A 746 -5.234 -4.751 10.263 1.00 0.00 C ATOM 875 CG ASP A 746 -4.483 -5.998 10.689 1.00 0.00 C ATOM 876 OD1 ASP A 746 -3.244 -5.926 10.829 1.00 0.00 O ATOM 877 OD2 ASP A 746 -5.135 -7.045 10.882 1.00 0.00 O ATOM 0 H ASP A 746 -6.162 -2.774 9.102 1.00 0.00 H new ATOM 0 HA ASP A 746 -3.675 -3.281 10.113 1.00 0.00 H new ATOM 0 HB2 ASP A 746 -5.603 -4.232 11.148 1.00 0.00 H new ATOM 0 HB3 ASP A 746 -6.106 -5.038 9.675 1.00 0.00 H new ATOM 882 N ARG A 747 -2.234 -4.627 8.630 1.00 0.00 N ATOM 883 CA ARG A 747 -1.342 -5.343 7.727 1.00 0.00 C ATOM 884 C ARG A 747 -1.865 -6.749 7.447 1.00 0.00 C ATOM 885 O ARG A 747 -1.713 -7.269 6.342 1.00 0.00 O ATOM 886 CB ARG A 747 0.066 -5.420 8.321 1.00 0.00 C ATOM 887 CG ARG A 747 0.709 -4.060 8.540 1.00 0.00 C ATOM 888 CD ARG A 747 2.227 -4.151 8.515 1.00 0.00 C ATOM 889 NE ARG A 747 2.765 -4.672 9.769 1.00 0.00 N ATOM 890 CZ ARG A 747 4.041 -4.566 10.121 1.00 0.00 C ATOM 891 NH1 ARG A 747 4.906 -3.962 9.318 1.00 0.00 N ATOM 892 NH2 ARG A 747 4.454 -5.066 11.279 1.00 0.00 N ATOM 0 H ARG A 747 -1.765 -4.175 9.415 1.00 0.00 H new ATOM 0 HA ARG A 747 -1.302 -4.795 6.786 1.00 0.00 H new ATOM 0 HB2 ARG A 747 0.021 -5.949 9.273 1.00 0.00 H new ATOM 0 HB3 ARG A 747 0.699 -6.010 7.658 1.00 0.00 H new ATOM 0 HG2 ARG A 747 0.372 -3.368 7.768 1.00 0.00 H new ATOM 0 HG3 ARG A 747 0.384 -3.652 9.497 1.00 0.00 H new ATOM 0 HD2 ARG A 747 2.538 -4.795 7.692 1.00 0.00 H new ATOM 0 HD3 ARG A 747 2.646 -3.163 8.323 1.00 0.00 H new ATOM 0 HE ARG A 747 2.126 -5.143 10.409 1.00 0.00 H new ATOM 0 HH11 ARG A 747 4.592 -3.577 8.427 1.00 0.00 H new ATOM 0 HH12 ARG A 747 5.885 -3.882 9.591 1.00 0.00 H new ATOM 0 HH21 ARG A 747 3.791 -5.532 11.899 1.00 0.00 H new ATOM 0 HH22 ARG A 747 5.434 -4.984 11.549 1.00 0.00 H new ATOM 906 N GLN A 748 -2.480 -7.357 8.456 1.00 0.00 N ATOM 907 CA GLN A 748 -3.024 -8.703 8.319 1.00 0.00 C ATOM 908 C GLN A 748 -4.338 -8.683 7.545 1.00 0.00 C ATOM 909 O GLN A 748 -4.581 -9.539 6.694 1.00 0.00 O ATOM 910 CB GLN A 748 -3.240 -9.332 9.697 1.00 0.00 C ATOM 911 CG GLN A 748 -1.999 -10.004 10.260 1.00 0.00 C ATOM 912 CD GLN A 748 -1.848 -11.438 9.790 1.00 0.00 C ATOM 913 OE1 GLN A 748 -2.283 -12.373 10.463 1.00 0.00 O ATOM 914 NE2 GLN A 748 -1.230 -11.618 8.629 1.00 0.00 N ATOM 0 H GLN A 748 -2.614 -6.939 9.377 1.00 0.00 H new ATOM 0 HA GLN A 748 -2.304 -9.303 7.762 1.00 0.00 H new ATOM 0 HB2 GLN A 748 -3.572 -8.560 10.391 1.00 0.00 H new ATOM 0 HB3 GLN A 748 -4.042 -10.067 9.630 1.00 0.00 H new ATOM 0 HG2 GLN A 748 -1.117 -9.435 9.966 1.00 0.00 H new ATOM 0 HG3 GLN A 748 -2.043 -9.985 11.349 1.00 0.00 H new ATOM 0 HE21 GLN A 748 -0.885 -10.814 8.105 1.00 0.00 H new ATOM 0 HE22 GLN A 748 -1.100 -12.560 8.261 1.00 0.00 H new ATOM 923 N ARG A 749 -5.181 -7.701 7.845 1.00 0.00 N ATOM 924 CA ARG A 749 -6.471 -7.570 7.178 1.00 0.00 C ATOM 925 C ARG A 749 -6.293 -7.459 5.667 1.00 0.00 C ATOM 926 O ARG A 749 -7.233 -7.677 4.902 1.00 0.00 O ATOM 927 CB ARG A 749 -7.221 -6.346 7.706 1.00 0.00 C ATOM 928 CG ARG A 749 -7.850 -6.559 9.073 1.00 0.00 C ATOM 929 CD ARG A 749 -8.601 -5.322 9.539 1.00 0.00 C ATOM 930 NE ARG A 749 -8.852 -5.344 10.978 1.00 0.00 N ATOM 931 CZ ARG A 749 -9.663 -4.493 11.596 1.00 0.00 C ATOM 932 NH1 ARG A 749 -10.299 -3.558 10.904 1.00 0.00 N ATOM 933 NH2 ARG A 749 -9.841 -4.577 12.908 1.00 0.00 N ATOM 0 H ARG A 749 -4.994 -6.984 8.546 1.00 0.00 H new ATOM 0 HA ARG A 749 -7.055 -8.465 7.393 1.00 0.00 H new ATOM 0 HB2 ARG A 749 -6.531 -5.504 7.760 1.00 0.00 H new ATOM 0 HB3 ARG A 749 -8.001 -6.074 6.995 1.00 0.00 H new ATOM 0 HG2 ARG A 749 -8.533 -7.407 9.032 1.00 0.00 H new ATOM 0 HG3 ARG A 749 -7.074 -6.809 9.797 1.00 0.00 H new ATOM 0 HD2 ARG A 749 -8.026 -4.432 9.285 1.00 0.00 H new ATOM 0 HD3 ARG A 749 -9.549 -5.252 9.007 1.00 0.00 H new ATOM 0 HE ARG A 749 -8.378 -6.052 11.539 1.00 0.00 H new ATOM 0 HH11 ARG A 749 -10.166 -3.491 9.895 1.00 0.00 H new ATOM 0 HH12 ARG A 749 -10.921 -2.905 11.381 1.00 0.00 H new ATOM 0 HH21 ARG A 749 -9.355 -5.296 13.444 1.00 0.00 H new ATOM 0 HH22 ARG A 749 -10.464 -3.923 13.381 1.00 0.00 H new ATOM 947 N LEU A 750 -5.081 -7.117 5.243 1.00 0.00 N ATOM 948 CA LEU A 750 -4.778 -6.976 3.823 1.00 0.00 C ATOM 949 C LEU A 750 -4.319 -8.303 3.229 1.00 0.00 C ATOM 950 O LEU A 750 -3.404 -8.945 3.747 1.00 0.00 O ATOM 951 CB LEU A 750 -3.700 -5.911 3.614 1.00 0.00 C ATOM 952 CG LEU A 750 -4.030 -4.511 4.134 1.00 0.00 C ATOM 953 CD1 LEU A 750 -2.759 -3.693 4.308 1.00 0.00 C ATOM 954 CD2 LEU A 750 -4.996 -3.806 3.193 1.00 0.00 C ATOM 0 H LEU A 750 -4.292 -6.932 5.863 1.00 0.00 H new ATOM 0 HA LEU A 750 -5.690 -6.667 3.312 1.00 0.00 H new ATOM 0 HB2 LEU A 750 -2.784 -6.250 4.098 1.00 0.00 H new ATOM 0 HB3 LEU A 750 -3.489 -5.840 2.547 1.00 0.00 H new ATOM 0 HG LEU A 750 -4.510 -4.610 5.108 1.00 0.00 H new ATOM 0 HD11 LEU A 750 -3.013 -2.700 4.679 1.00 0.00 H new ATOM 0 HD12 LEU A 750 -2.102 -4.189 5.022 1.00 0.00 H new ATOM 0 HD13 LEU A 750 -2.250 -3.603 3.348 1.00 0.00 H new ATOM 0 HD21 LEU A 750 -5.219 -2.811 3.579 1.00 0.00 H new ATOM 0 HD22 LEU A 750 -4.543 -3.719 2.205 1.00 0.00 H new ATOM 0 HD23 LEU A 750 -5.918 -4.382 3.120 1.00 0.00 H new ATOM 966 N THR A 751 -4.959 -8.710 2.137 1.00 0.00 N ATOM 967 CA THR A 751 -4.616 -9.961 1.472 1.00 0.00 C ATOM 968 C THR A 751 -3.755 -9.710 0.239 1.00 0.00 C ATOM 969 O THR A 751 -4.265 -9.386 -0.833 1.00 0.00 O ATOM 970 CB THR A 751 -5.878 -10.738 1.052 1.00 0.00 C ATOM 971 OG1 THR A 751 -6.790 -10.824 2.153 1.00 0.00 O ATOM 972 CG2 THR A 751 -5.518 -12.137 0.574 1.00 0.00 C ATOM 0 H THR A 751 -5.718 -8.191 1.695 1.00 0.00 H new ATOM 0 HA THR A 751 -4.053 -10.557 2.190 1.00 0.00 H new ATOM 0 HB THR A 751 -6.352 -10.201 0.230 1.00 0.00 H new ATOM 0 HG1 THR A 751 -7.590 -11.318 1.877 1.00 0.00 H new ATOM 0 HG21 THR A 751 -6.425 -12.667 0.283 1.00 0.00 H new ATOM 0 HG22 THR A 751 -4.848 -12.068 -0.283 1.00 0.00 H new ATOM 0 HG23 THR A 751 -5.023 -12.680 1.379 1.00 0.00 H new ATOM 980 N THR A 752 -2.444 -9.862 0.399 1.00 0.00 N ATOM 981 CA THR A 752 -1.510 -9.651 -0.701 1.00 0.00 C ATOM 982 C THR A 752 -2.027 -10.282 -1.989 1.00 0.00 C ATOM 983 O THR A 752 -2.223 -11.495 -2.063 1.00 0.00 O ATOM 984 CB THR A 752 -0.121 -10.234 -0.378 1.00 0.00 C ATOM 985 OG1 THR A 752 -0.261 -11.503 0.270 1.00 0.00 O ATOM 986 CG2 THR A 752 0.669 -9.287 0.513 1.00 0.00 C ATOM 0 H THR A 752 -2.005 -10.130 1.280 1.00 0.00 H new ATOM 0 HA THR A 752 -1.420 -8.573 -0.838 1.00 0.00 H new ATOM 0 HB THR A 752 0.422 -10.363 -1.314 1.00 0.00 H new ATOM 0 HG1 THR A 752 -0.930 -12.040 -0.204 1.00 0.00 H new ATOM 0 HG21 THR A 752 1.646 -9.720 0.728 1.00 0.00 H new ATOM 0 HG22 THR A 752 0.799 -8.332 0.004 1.00 0.00 H new ATOM 0 HG23 THR A 752 0.129 -9.130 1.447 1.00 0.00 H new ATOM 994 N VAL A 753 -2.245 -9.451 -3.003 1.00 0.00 N ATOM 995 CA VAL A 753 -2.737 -9.928 -4.290 1.00 0.00 C ATOM 996 C VAL A 753 -1.604 -10.500 -5.134 1.00 0.00 C ATOM 997 O VAL A 753 -0.429 -10.317 -4.820 1.00 0.00 O ATOM 998 CB VAL A 753 -3.431 -8.801 -5.078 1.00 0.00 C ATOM 999 CG1 VAL A 753 -4.232 -9.375 -6.237 1.00 0.00 C ATOM 1000 CG2 VAL A 753 -4.322 -7.979 -4.159 1.00 0.00 C ATOM 0 H VAL A 753 -2.089 -8.444 -2.958 1.00 0.00 H new ATOM 0 HA VAL A 753 -3.462 -10.714 -4.080 1.00 0.00 H new ATOM 0 HB VAL A 753 -2.665 -8.143 -5.488 1.00 0.00 H new ATOM 0 HG11 VAL A 753 -4.715 -8.564 -6.782 1.00 0.00 H new ATOM 0 HG12 VAL A 753 -3.565 -9.916 -6.908 1.00 0.00 H new ATOM 0 HG13 VAL A 753 -4.991 -10.057 -5.853 1.00 0.00 H new ATOM 0 HG21 VAL A 753 -4.804 -7.187 -4.732 1.00 0.00 H new ATOM 0 HG22 VAL A 753 -5.083 -8.623 -3.718 1.00 0.00 H new ATOM 0 HG23 VAL A 753 -3.718 -7.537 -3.367 1.00 0.00 H new