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 713 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 751 THR OG1 : rot 180:sc= 0 USER MOD Single : A 703 ASN : amide:sc= -0.389 K(o=-0.39,f=-1.7!) USER MOD Single : A 708 GLN : amide:sc= -0.777 K(o=-0.78,f=-1.9!) USER MOD Single : A 709 THR OG1 : rot 180:sc= 0 USER MOD Single : A 714 GLN : amide:sc= -3.25 K(o=-3.3,f=-6.8!) 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+ 136:sc= -1.57! (180deg=-3.39!) USER MOD Single : A 728 THR OG1 : rot 180:sc= 0 USER MOD Single : A 730 SER OG : rot 180:sc= 0 USER MOD Single : A 731 THR OG1 : rot 180:sc= -0.935 USER MOD Single : A 737 HIS : no HE2:sc= -0.545 K(o=-0.54,f=-3.1!) USER MOD Single : A 738 SER OG : rot 180:sc= 0 USER MOD Single : A 739 THR OG1 : rot 110:sc= -1.66 USER MOD Single : A 740 CYS SG : rot 180:sc= -0.0572 USER MOD Single : A 741 GLN : amide:sc= -0.133 K(o=-0.13,f=-2.1!) USER MOD Single : A 742 THR OG1 : rot 180:sc= 0 USER MOD Single : A 744 SER OG : rot 21:sc= 0.236 USER MOD Single : A 748 GLN : amide:sc= -0.413 X(o=-0.41,f=0) USER MOD Single : A 752 THR OG1 : rot 48:sc= 0.0915 USER MOD ----------------------------------------------------------------- ATOM 216 N ASN A 703 9.896 -1.031 3.520 1.00 0.00 N ATOM 217 CA ASN A 703 9.270 -0.434 2.346 1.00 0.00 C ATOM 218 C ASN A 703 9.288 -1.403 1.167 1.00 0.00 C ATOM 219 O ASN A 703 9.301 -0.986 0.009 1.00 0.00 O ATOM 220 CB ASN A 703 9.987 0.863 1.965 1.00 0.00 C ATOM 221 CG ASN A 703 11.490 0.766 2.139 1.00 0.00 C ATOM 222 OD1 ASN A 703 12.053 -0.329 2.168 1.00 0.00 O ATOM 223 ND2 ASN A 703 12.148 1.914 2.255 1.00 0.00 N ATOM 0 HA ASN A 703 8.232 -0.210 2.593 1.00 0.00 H new ATOM 0 HB2 ASN A 703 9.759 1.109 0.928 1.00 0.00 H new ATOM 0 HB3 ASN A 703 9.605 1.679 2.578 1.00 0.00 H new ATOM 0 HD21 ASN A 703 13.161 1.911 2.374 1.00 0.00 H new ATOM 0 HD22 ASN A 703 11.640 2.798 2.225 1.00 0.00 H new ATOM 230 N GLU A 704 9.288 -2.697 1.472 1.00 0.00 N ATOM 231 CA GLU A 704 9.305 -3.724 0.437 1.00 0.00 C ATOM 232 C GLU A 704 7.910 -3.930 -0.148 1.00 0.00 C ATOM 233 O GLU A 704 7.702 -3.781 -1.352 1.00 0.00 O ATOM 234 CB GLU A 704 9.830 -5.044 1.006 1.00 0.00 C ATOM 235 CG GLU A 704 9.960 -6.146 -0.032 1.00 0.00 C ATOM 236 CD GLU A 704 10.628 -5.670 -1.307 1.00 0.00 C ATOM 237 OE1 GLU A 704 11.801 -5.245 -1.238 1.00 0.00 O ATOM 238 OE2 GLU A 704 9.980 -5.723 -2.373 1.00 0.00 O ATOM 0 H GLU A 704 9.276 -3.058 2.426 1.00 0.00 H new ATOM 0 HA GLU A 704 9.969 -3.390 -0.360 1.00 0.00 H new ATOM 0 HB2 GLU A 704 10.804 -4.871 1.463 1.00 0.00 H new ATOM 0 HB3 GLU A 704 9.161 -5.380 1.798 1.00 0.00 H new ATOM 0 HG2 GLU A 704 10.535 -6.971 0.389 1.00 0.00 H new ATOM 0 HG3 GLU A 704 8.970 -6.536 -0.269 1.00 0.00 H new ATOM 245 N LEU A 705 6.959 -4.273 0.714 1.00 0.00 N ATOM 246 CA LEU A 705 5.583 -4.500 0.284 1.00 0.00 C ATOM 247 C LEU A 705 4.999 -3.245 -0.357 1.00 0.00 C ATOM 248 O LEU A 705 3.970 -3.302 -1.031 1.00 0.00 O ATOM 249 CB LEU A 705 4.721 -4.928 1.472 1.00 0.00 C ATOM 250 CG LEU A 705 3.214 -4.992 1.219 1.00 0.00 C ATOM 251 CD1 LEU A 705 2.890 -6.065 0.191 1.00 0.00 C ATOM 252 CD2 LEU A 705 2.466 -5.254 2.519 1.00 0.00 C ATOM 0 H LEU A 705 7.115 -4.400 1.714 1.00 0.00 H new ATOM 0 HA LEU A 705 5.587 -5.297 -0.460 1.00 0.00 H new ATOM 0 HB2 LEU A 705 5.056 -5.911 1.803 1.00 0.00 H new ATOM 0 HB3 LEU A 705 4.902 -4.236 2.295 1.00 0.00 H new ATOM 0 HG LEU A 705 2.890 -4.029 0.823 1.00 0.00 H new ATOM 0 HD11 LEU A 705 1.813 -6.096 0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 705 3.396 -5.835 -0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 705 3.228 -7.034 0.558 1.00 0.00 H new ATOM 0 HD21 LEU A 705 1.395 -5.296 2.320 1.00 0.00 H new ATOM 0 HD22 LEU A 705 2.794 -6.203 2.943 1.00 0.00 H new ATOM 0 HD23 LEU A 705 2.672 -4.450 3.226 1.00 0.00 H new ATOM 264 N ILE A 706 5.663 -2.114 -0.144 1.00 0.00 N ATOM 265 CA ILE A 706 5.211 -0.847 -0.704 1.00 0.00 C ATOM 266 C ILE A 706 5.211 -0.888 -2.228 1.00 0.00 C ATOM 267 O ILE A 706 6.266 -0.892 -2.860 1.00 0.00 O ATOM 268 CB ILE A 706 6.095 0.324 -0.233 1.00 0.00 C ATOM 269 CG1 ILE A 706 5.798 0.660 1.230 1.00 0.00 C ATOM 270 CG2 ILE A 706 5.876 1.542 -1.118 1.00 0.00 C ATOM 271 CD1 ILE A 706 5.457 -0.550 2.071 1.00 0.00 C ATOM 0 H ILE A 706 6.516 -2.049 0.412 1.00 0.00 H new ATOM 0 HA ILE A 706 4.193 -0.690 -0.347 1.00 0.00 H new ATOM 0 HB ILE A 706 7.140 0.026 -0.312 1.00 0.00 H new ATOM 0 HG12 ILE A 706 6.664 1.160 1.662 1.00 0.00 H new ATOM 0 HG13 ILE A 706 4.969 1.366 1.271 1.00 0.00 H new ATOM 0 HG21 ILE A 706 6.507 2.361 -0.773 1.00 0.00 H new ATOM 0 HG22 ILE A 706 6.134 1.295 -2.148 1.00 0.00 H new ATOM 0 HG23 ILE A 706 4.830 1.844 -1.068 1.00 0.00 H new ATOM 0 HD11 ILE A 706 5.258 -0.237 3.096 1.00 0.00 H new ATOM 0 HD12 ILE A 706 4.572 -1.039 1.663 1.00 0.00 H new ATOM 0 HD13 ILE A 706 6.294 -1.248 2.061 1.00 0.00 H new ATOM 283 N GLY A 707 4.017 -0.916 -2.813 1.00 0.00 N ATOM 284 CA GLY A 707 3.901 -0.955 -4.260 1.00 0.00 C ATOM 285 C GLY A 707 3.167 -2.187 -4.750 1.00 0.00 C ATOM 286 O GLY A 707 2.724 -2.237 -5.897 1.00 0.00 O ATOM 0 H GLY A 707 3.129 -0.912 -2.312 1.00 0.00 H new ATOM 0 HA2 GLY A 707 3.377 -0.063 -4.603 1.00 0.00 H new ATOM 0 HA3 GLY A 707 4.897 -0.930 -4.702 1.00 0.00 H new ATOM 290 N GLN A 708 3.040 -3.183 -3.879 1.00 0.00 N ATOM 291 CA GLN A 708 2.357 -4.422 -4.232 1.00 0.00 C ATOM 292 C GLN A 708 0.848 -4.213 -4.295 1.00 0.00 C ATOM 293 O GLN A 708 0.325 -3.220 -3.785 1.00 0.00 O ATOM 294 CB GLN A 708 2.690 -5.519 -3.219 1.00 0.00 C ATOM 295 CG GLN A 708 4.182 -5.734 -3.023 1.00 0.00 C ATOM 296 CD GLN A 708 4.949 -5.730 -4.330 1.00 0.00 C ATOM 297 OE1 GLN A 708 4.441 -6.169 -5.363 1.00 0.00 O ATOM 298 NE2 GLN A 708 6.179 -5.232 -4.294 1.00 0.00 N ATOM 0 H GLN A 708 3.401 -3.156 -2.925 1.00 0.00 H new ATOM 0 HA GLN A 708 2.704 -4.730 -5.218 1.00 0.00 H new ATOM 0 HB2 GLN A 708 2.239 -5.265 -2.260 1.00 0.00 H new ATOM 0 HB3 GLN A 708 2.237 -6.454 -3.547 1.00 0.00 H new ATOM 0 HG2 GLN A 708 4.575 -4.952 -2.373 1.00 0.00 H new ATOM 0 HG3 GLN A 708 4.344 -6.684 -2.514 1.00 0.00 H new ATOM 0 HE21 GLN A 708 6.561 -4.879 -3.417 1.00 0.00 H new ATOM 0 HE22 GLN A 708 6.742 -5.202 -5.144 1.00 0.00 H new ATOM 307 N THR A 709 0.150 -5.153 -4.924 1.00 0.00 N ATOM 308 CA THR A 709 -1.299 -5.071 -5.055 1.00 0.00 C ATOM 309 C THR A 709 -1.996 -5.941 -4.014 1.00 0.00 C ATOM 310 O THR A 709 -1.946 -7.169 -4.083 1.00 0.00 O ATOM 311 CB THR A 709 -1.762 -5.502 -6.459 1.00 0.00 C ATOM 312 OG1 THR A 709 -1.298 -4.564 -7.437 1.00 0.00 O ATOM 313 CG2 THR A 709 -3.279 -5.600 -6.523 1.00 0.00 C ATOM 0 H THR A 709 0.566 -5.981 -5.351 1.00 0.00 H new ATOM 0 HA THR A 709 -1.571 -4.028 -4.895 1.00 0.00 H new ATOM 0 HB THR A 709 -1.341 -6.485 -6.670 1.00 0.00 H new ATOM 0 HG1 THR A 709 -1.595 -4.846 -8.327 1.00 0.00 H new ATOM 0 HG21 THR A 709 -3.582 -5.906 -7.524 1.00 0.00 H new ATOM 0 HG22 THR A 709 -3.627 -6.336 -5.798 1.00 0.00 H new ATOM 0 HG23 THR A 709 -3.716 -4.629 -6.293 1.00 0.00 H new ATOM 321 N VAL A 710 -2.646 -5.296 -3.050 1.00 0.00 N ATOM 322 CA VAL A 710 -3.354 -6.012 -1.996 1.00 0.00 C ATOM 323 C VAL A 710 -4.859 -5.790 -2.097 1.00 0.00 C ATOM 324 O VAL A 710 -5.315 -4.805 -2.678 1.00 0.00 O ATOM 325 CB VAL A 710 -2.875 -5.572 -0.599 1.00 0.00 C ATOM 326 CG1 VAL A 710 -1.393 -5.866 -0.426 1.00 0.00 C ATOM 327 CG2 VAL A 710 -3.163 -4.095 -0.378 1.00 0.00 C ATOM 0 H VAL A 710 -2.697 -4.280 -2.978 1.00 0.00 H new ATOM 0 HA VAL A 710 -3.135 -7.071 -2.131 1.00 0.00 H new ATOM 0 HB VAL A 710 -3.424 -6.142 0.151 1.00 0.00 H new ATOM 0 HG11 VAL A 710 -1.073 -5.549 0.566 1.00 0.00 H new ATOM 0 HG12 VAL A 710 -1.219 -6.936 -0.539 1.00 0.00 H new ATOM 0 HG13 VAL A 710 -0.824 -5.324 -1.182 1.00 0.00 H new ATOM 0 HG21 VAL A 710 -2.818 -3.801 0.613 1.00 0.00 H new ATOM 0 HG22 VAL A 710 -2.642 -3.506 -1.133 1.00 0.00 H new ATOM 0 HG23 VAL A 710 -4.236 -3.918 -0.456 1.00 0.00 H new ATOM 337 N ARG A 711 -5.627 -6.714 -1.527 1.00 0.00 N ATOM 338 CA ARG A 711 -7.082 -6.620 -1.554 1.00 0.00 C ATOM 339 C ARG A 711 -7.660 -6.733 -0.147 1.00 0.00 C ATOM 340 O ARG A 711 -7.619 -7.799 0.468 1.00 0.00 O ATOM 341 CB ARG A 711 -7.668 -7.715 -2.447 1.00 0.00 C ATOM 342 CG ARG A 711 -9.186 -7.694 -2.520 1.00 0.00 C ATOM 343 CD ARG A 711 -9.738 -9.016 -3.030 1.00 0.00 C ATOM 344 NE ARG A 711 -9.569 -9.160 -4.473 1.00 0.00 N ATOM 345 CZ ARG A 711 -10.425 -8.672 -5.365 1.00 0.00 C ATOM 346 NH1 ARG A 711 -11.502 -8.013 -4.963 1.00 0.00 N ATOM 347 NH2 ARG A 711 -10.202 -8.843 -6.662 1.00 0.00 N ATOM 0 H ARG A 711 -5.266 -7.535 -1.042 1.00 0.00 H new ATOM 0 HA ARG A 711 -7.351 -5.645 -1.961 1.00 0.00 H new ATOM 0 HB2 ARG A 711 -7.263 -7.607 -3.453 1.00 0.00 H new ATOM 0 HB3 ARG A 711 -7.344 -8.687 -2.075 1.00 0.00 H new ATOM 0 HG2 ARG A 711 -9.596 -7.484 -1.532 1.00 0.00 H new ATOM 0 HG3 ARG A 711 -9.509 -6.886 -3.177 1.00 0.00 H new ATOM 0 HD2 ARG A 711 -9.235 -9.839 -2.522 1.00 0.00 H new ATOM 0 HD3 ARG A 711 -10.797 -9.087 -2.780 1.00 0.00 H new ATOM 0 HE ARG A 711 -8.750 -9.662 -4.815 1.00 0.00 H new ATOM 0 HH11 ARG A 711 -11.676 -7.879 -3.967 1.00 0.00 H new ATOM 0 HH12 ARG A 711 -12.157 -7.640 -5.650 1.00 0.00 H new ATOM 0 HH21 ARG A 711 -9.373 -9.349 -6.975 1.00 0.00 H new ATOM 0 HH22 ARG A 711 -10.859 -8.468 -7.346 1.00 0.00 H new ATOM 361 N ILE A 712 -8.197 -5.627 0.357 1.00 0.00 N ATOM 362 CA ILE A 712 -8.783 -5.603 1.692 1.00 0.00 C ATOM 363 C ILE A 712 -9.945 -6.585 1.800 1.00 0.00 C ATOM 364 O ILE A 712 -11.032 -6.335 1.280 1.00 0.00 O ATOM 365 CB ILE A 712 -9.281 -4.193 2.062 1.00 0.00 C ATOM 366 CG1 ILE A 712 -8.134 -3.185 1.979 1.00 0.00 C ATOM 367 CG2 ILE A 712 -9.892 -4.196 3.455 1.00 0.00 C ATOM 368 CD1 ILE A 712 -8.597 -1.753 1.824 1.00 0.00 C ATOM 0 H ILE A 712 -8.239 -4.736 -0.138 1.00 0.00 H new ATOM 0 HA ILE A 712 -7.997 -5.896 2.388 1.00 0.00 H new ATOM 0 HB ILE A 712 -10.051 -3.897 1.350 1.00 0.00 H new ATOM 0 HG12 ILE A 712 -7.524 -3.266 2.879 1.00 0.00 H new ATOM 0 HG13 ILE A 712 -7.494 -3.444 1.136 1.00 0.00 H new ATOM 0 HG21 ILE A 712 -10.239 -3.193 3.702 1.00 0.00 H new ATOM 0 HG22 ILE A 712 -10.734 -4.888 3.482 1.00 0.00 H new ATOM 0 HG23 ILE A 712 -9.142 -4.509 4.181 1.00 0.00 H new ATOM 0 HD11 ILE A 712 -7.730 -1.094 1.772 1.00 0.00 H new ATOM 0 HD12 ILE A 712 -9.182 -1.657 0.909 1.00 0.00 H new ATOM 0 HD13 ILE A 712 -9.213 -1.475 2.679 1.00 0.00 H new ATOM 380 N SER A 713 -9.707 -7.702 2.480 1.00 0.00 N ATOM 381 CA SER A 713 -10.733 -8.723 2.655 1.00 0.00 C ATOM 382 C SER A 713 -11.322 -8.666 4.061 1.00 0.00 C ATOM 383 O SER A 713 -11.846 -9.658 4.566 1.00 0.00 O ATOM 384 CB SER A 713 -10.149 -10.113 2.391 1.00 0.00 C ATOM 385 OG SER A 713 -9.853 -10.288 1.016 1.00 0.00 O ATOM 0 H SER A 713 -8.813 -7.923 2.919 1.00 0.00 H new ATOM 0 HA SER A 713 -11.530 -8.529 1.938 1.00 0.00 H new ATOM 0 HB2 SER A 713 -9.243 -10.249 2.982 1.00 0.00 H new ATOM 0 HB3 SER A 713 -10.857 -10.876 2.714 1.00 0.00 H new ATOM 0 HG SER A 713 -9.480 -11.183 0.873 1.00 0.00 H new ATOM 391 N GLN A 714 -11.232 -7.496 4.686 1.00 0.00 N ATOM 392 CA GLN A 714 -11.755 -7.309 6.034 1.00 0.00 C ATOM 393 C GLN A 714 -12.147 -5.854 6.268 1.00 0.00 C ATOM 394 O GLN A 714 -11.529 -4.939 5.727 1.00 0.00 O ATOM 395 CB GLN A 714 -10.718 -7.744 7.072 1.00 0.00 C ATOM 396 CG GLN A 714 -10.751 -9.232 7.378 1.00 0.00 C ATOM 397 CD GLN A 714 -9.878 -10.041 6.440 1.00 0.00 C ATOM 398 OE1 GLN A 714 -9.213 -9.490 5.562 1.00 0.00 O ATOM 399 NE2 GLN A 714 -9.873 -11.356 6.621 1.00 0.00 N ATOM 0 H GLN A 714 -10.802 -6.664 4.281 1.00 0.00 H new ATOM 0 HA GLN A 714 -12.646 -7.928 6.140 1.00 0.00 H new ATOM 0 HB2 GLN A 714 -9.724 -7.477 6.714 1.00 0.00 H new ATOM 0 HB3 GLN A 714 -10.884 -7.188 7.995 1.00 0.00 H new ATOM 0 HG2 GLN A 714 -10.423 -9.395 8.405 1.00 0.00 H new ATOM 0 HG3 GLN A 714 -11.778 -9.590 7.311 1.00 0.00 H new ATOM 0 HE21 GLN A 714 -10.439 -11.771 7.361 1.00 0.00 H new ATOM 0 HE22 GLN A 714 -9.303 -11.951 6.020 1.00 0.00 H new ATOM 408 N GLY A 715 -13.181 -5.648 7.080 1.00 0.00 N ATOM 409 CA GLY A 715 -13.638 -4.302 7.371 1.00 0.00 C ATOM 410 C GLY A 715 -14.700 -3.827 6.399 1.00 0.00 C ATOM 411 O GLY A 715 -15.271 -4.610 5.639 1.00 0.00 O ATOM 0 H GLY A 715 -13.709 -6.389 7.541 1.00 0.00 H new ATOM 0 HA2 GLY A 715 -14.037 -4.268 8.385 1.00 0.00 H new ATOM 0 HA3 GLY A 715 -12.789 -3.619 7.339 1.00 0.00 H new ATOM 415 N PRO A 716 -14.980 -2.516 6.416 1.00 0.00 N ATOM 416 CA PRO A 716 -15.983 -1.909 5.536 1.00 0.00 C ATOM 417 C PRO A 716 -15.542 -1.895 4.077 1.00 0.00 C ATOM 418 O PRO A 716 -16.370 -1.956 3.167 1.00 0.00 O ATOM 419 CB PRO A 716 -16.106 -0.480 6.071 1.00 0.00 C ATOM 420 CG PRO A 716 -14.798 -0.208 6.731 1.00 0.00 C ATOM 421 CD PRO A 716 -14.339 -1.524 7.296 1.00 0.00 C ATOM 0 HA PRO A 716 -16.921 -2.464 5.544 1.00 0.00 H new ATOM 0 HB2 PRO A 716 -16.298 0.229 5.266 1.00 0.00 H new ATOM 0 HB3 PRO A 716 -16.932 -0.391 6.777 1.00 0.00 H new ATOM 0 HG2 PRO A 716 -14.074 0.184 6.016 1.00 0.00 H new ATOM 0 HG3 PRO A 716 -14.905 0.539 7.518 1.00 0.00 H new ATOM 0 HD2 PRO A 716 -13.253 -1.612 7.277 1.00 0.00 H new ATOM 0 HD3 PRO A 716 -14.651 -1.646 8.333 1.00 0.00 H new ATOM 429 N TYR A 717 -14.234 -1.815 3.860 1.00 0.00 N ATOM 430 CA TYR A 717 -13.683 -1.792 2.510 1.00 0.00 C ATOM 431 C TYR A 717 -13.316 -3.198 2.047 1.00 0.00 C ATOM 432 O TYR A 717 -12.241 -3.421 1.489 1.00 0.00 O ATOM 433 CB TYR A 717 -12.451 -0.887 2.455 1.00 0.00 C ATOM 434 CG TYR A 717 -12.700 0.508 2.983 1.00 0.00 C ATOM 435 CD1 TYR A 717 -12.534 0.802 4.331 1.00 0.00 C ATOM 436 CD2 TYR A 717 -13.103 1.532 2.134 1.00 0.00 C ATOM 437 CE1 TYR A 717 -12.761 2.075 4.817 1.00 0.00 C ATOM 438 CE2 TYR A 717 -13.330 2.808 2.611 1.00 0.00 C ATOM 439 CZ TYR A 717 -13.158 3.074 3.954 1.00 0.00 C ATOM 440 OH TYR A 717 -13.386 4.344 4.434 1.00 0.00 O ATOM 0 H TYR A 717 -13.535 -1.765 4.602 1.00 0.00 H new ATOM 0 HA TYR A 717 -14.447 -1.397 1.840 1.00 0.00 H new ATOM 0 HB2 TYR A 717 -11.647 -1.346 3.031 1.00 0.00 H new ATOM 0 HB3 TYR A 717 -12.106 -0.820 1.423 1.00 0.00 H new ATOM 0 HD1 TYR A 717 -12.222 0.022 5.010 1.00 0.00 H new ATOM 0 HD2 TYR A 717 -13.241 1.326 1.083 1.00 0.00 H new ATOM 0 HE1 TYR A 717 -12.628 2.287 5.868 1.00 0.00 H new ATOM 0 HE2 TYR A 717 -13.640 3.593 1.937 1.00 0.00 H new ATOM 0 HH TYR A 717 -13.658 4.929 3.696 1.00 0.00 H new ATOM 450 N LYS A 718 -14.218 -4.145 2.281 1.00 0.00 N ATOM 451 CA LYS A 718 -13.993 -5.531 1.888 1.00 0.00 C ATOM 452 C LYS A 718 -14.162 -5.703 0.381 1.00 0.00 C ATOM 453 O LYS A 718 -15.105 -5.180 -0.211 1.00 0.00 O ATOM 454 CB LYS A 718 -14.961 -6.457 2.629 1.00 0.00 C ATOM 455 CG LYS A 718 -14.935 -7.890 2.127 1.00 0.00 C ATOM 456 CD LYS A 718 -15.477 -8.855 3.169 1.00 0.00 C ATOM 457 CE LYS A 718 -16.998 -8.868 3.178 1.00 0.00 C ATOM 458 NZ LYS A 718 -17.540 -9.554 4.383 1.00 0.00 N ATOM 0 H LYS A 718 -15.113 -3.978 2.741 1.00 0.00 H new ATOM 0 HA LYS A 718 -12.970 -5.797 2.155 1.00 0.00 H new ATOM 0 HB2 LYS A 718 -14.717 -6.448 3.691 1.00 0.00 H new ATOM 0 HB3 LYS A 718 -15.973 -6.065 2.531 1.00 0.00 H new ATOM 0 HG2 LYS A 718 -15.527 -7.968 1.215 1.00 0.00 H new ATOM 0 HG3 LYS A 718 -13.913 -8.168 1.869 1.00 0.00 H new ATOM 0 HD2 LYS A 718 -15.105 -9.859 2.965 1.00 0.00 H new ATOM 0 HD3 LYS A 718 -15.109 -8.572 4.155 1.00 0.00 H new ATOM 0 HE2 LYS A 718 -17.370 -7.844 3.145 1.00 0.00 H new ATOM 0 HE3 LYS A 718 -17.362 -9.368 2.281 1.00 0.00 H new ATOM 0 HZ1 LYS A 718 -18.579 -9.542 4.351 1.00 0.00 H new ATOM 0 HZ2 LYS A 718 -17.206 -10.539 4.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 718 -17.214 -9.062 5.239 1.00 0.00 H new ATOM 472 N GLY A 719 -13.241 -6.440 -0.232 1.00 0.00 N ATOM 473 CA GLY A 719 -13.307 -6.669 -1.664 1.00 0.00 C ATOM 474 C GLY A 719 -12.867 -5.459 -2.465 1.00 0.00 C ATOM 475 O GLY A 719 -13.461 -5.139 -3.495 1.00 0.00 O ATOM 0 H GLY A 719 -12.451 -6.882 0.237 1.00 0.00 H new ATOM 0 HA2 GLY A 719 -12.677 -7.520 -1.922 1.00 0.00 H new ATOM 0 HA3 GLY A 719 -14.328 -6.932 -1.940 1.00 0.00 H new ATOM 479 N TYR A 720 -11.826 -4.785 -1.991 1.00 0.00 N ATOM 480 CA TYR A 720 -11.309 -3.601 -2.668 1.00 0.00 C ATOM 481 C TYR A 720 -9.816 -3.742 -2.949 1.00 0.00 C ATOM 482 O TYR A 720 -9.064 -4.261 -2.123 1.00 0.00 O ATOM 483 CB TYR A 720 -11.565 -2.352 -1.823 1.00 0.00 C ATOM 484 CG TYR A 720 -12.946 -1.766 -2.011 1.00 0.00 C ATOM 485 CD1 TYR A 720 -14.073 -2.430 -1.545 1.00 0.00 C ATOM 486 CD2 TYR A 720 -13.122 -0.547 -2.653 1.00 0.00 C ATOM 487 CE1 TYR A 720 -15.337 -1.899 -1.716 1.00 0.00 C ATOM 488 CE2 TYR A 720 -14.382 -0.007 -2.827 1.00 0.00 C ATOM 489 CZ TYR A 720 -15.486 -0.687 -2.357 1.00 0.00 C ATOM 490 OH TYR A 720 -16.743 -0.153 -2.527 1.00 0.00 O ATOM 0 H TYR A 720 -11.323 -5.038 -1.140 1.00 0.00 H new ATOM 0 HA TYR A 720 -11.831 -3.501 -3.620 1.00 0.00 H new ATOM 0 HB2 TYR A 720 -11.425 -2.600 -0.771 1.00 0.00 H new ATOM 0 HB3 TYR A 720 -10.821 -1.595 -2.073 1.00 0.00 H new ATOM 0 HD1 TYR A 720 -13.960 -3.378 -1.040 1.00 0.00 H new ATOM 0 HD2 TYR A 720 -12.260 -0.012 -3.022 1.00 0.00 H new ATOM 0 HE1 TYR A 720 -16.203 -2.430 -1.350 1.00 0.00 H new ATOM 0 HE2 TYR A 720 -14.502 0.942 -3.328 1.00 0.00 H new ATOM 0 HH TYR A 720 -16.673 0.705 -2.996 1.00 0.00 H new ATOM 500 N ILE A 721 -9.395 -3.276 -4.120 1.00 0.00 N ATOM 501 CA ILE A 721 -7.992 -3.348 -4.510 1.00 0.00 C ATOM 502 C ILE A 721 -7.271 -2.036 -4.214 1.00 0.00 C ATOM 503 O ILE A 721 -7.871 -0.963 -4.259 1.00 0.00 O ATOM 504 CB ILE A 721 -7.840 -3.678 -6.006 1.00 0.00 C ATOM 505 CG1 ILE A 721 -8.601 -4.961 -6.347 1.00 0.00 C ATOM 506 CG2 ILE A 721 -6.370 -3.815 -6.372 1.00 0.00 C ATOM 507 CD1 ILE A 721 -8.020 -6.198 -5.699 1.00 0.00 C ATOM 0 H ILE A 721 -10.005 -2.845 -4.815 1.00 0.00 H new ATOM 0 HA ILE A 721 -7.542 -4.148 -3.922 1.00 0.00 H new ATOM 0 HB ILE A 721 -8.264 -2.860 -6.588 1.00 0.00 H new ATOM 0 HG12 ILE A 721 -9.640 -4.851 -6.036 1.00 0.00 H new ATOM 0 HG13 ILE A 721 -8.605 -5.095 -7.429 1.00 0.00 H new ATOM 0 HG21 ILE A 721 -6.279 -4.048 -7.433 1.00 0.00 H new ATOM 0 HG22 ILE A 721 -5.854 -2.878 -6.161 1.00 0.00 H new ATOM 0 HG23 ILE A 721 -5.922 -4.617 -5.785 1.00 0.00 H new ATOM 0 HD11 ILE A 721 -8.609 -7.069 -5.985 1.00 0.00 H new ATOM 0 HD12 ILE A 721 -6.990 -6.332 -6.030 1.00 0.00 H new ATOM 0 HD13 ILE A 721 -8.041 -6.085 -4.615 1.00 0.00 H new ATOM 519 N GLY A 722 -5.980 -2.132 -3.914 1.00 0.00 N ATOM 520 CA GLY A 722 -5.198 -0.946 -3.618 1.00 0.00 C ATOM 521 C GLY A 722 -3.710 -1.231 -3.563 1.00 0.00 C ATOM 522 O GLY A 722 -3.296 -2.374 -3.368 1.00 0.00 O ATOM 0 H GLY A 722 -5.462 -3.009 -3.871 1.00 0.00 H new ATOM 0 HA2 GLY A 722 -5.392 -0.188 -4.377 1.00 0.00 H new ATOM 0 HA3 GLY A 722 -5.521 -0.531 -2.663 1.00 0.00 H new ATOM 526 N VAL A 723 -2.902 -0.190 -3.736 1.00 0.00 N ATOM 527 CA VAL A 723 -1.452 -0.334 -3.706 1.00 0.00 C ATOM 528 C VAL A 723 -0.881 0.131 -2.371 1.00 0.00 C ATOM 529 O VAL A 723 -1.203 1.217 -1.890 1.00 0.00 O ATOM 530 CB VAL A 723 -0.784 0.463 -4.843 1.00 0.00 C ATOM 531 CG1 VAL A 723 0.720 0.538 -4.631 1.00 0.00 C ATOM 532 CG2 VAL A 723 -1.111 -0.160 -6.192 1.00 0.00 C ATOM 0 H VAL A 723 -3.228 0.763 -3.898 1.00 0.00 H new ATOM 0 HA VAL A 723 -1.237 -1.394 -3.841 1.00 0.00 H new ATOM 0 HB VAL A 723 -1.178 1.479 -4.832 1.00 0.00 H new ATOM 0 HG11 VAL A 723 1.174 1.105 -5.444 1.00 0.00 H new ATOM 0 HG12 VAL A 723 0.930 1.033 -3.683 1.00 0.00 H new ATOM 0 HG13 VAL A 723 1.136 -0.469 -4.614 1.00 0.00 H new ATOM 0 HG21 VAL A 723 -0.632 0.415 -6.984 1.00 0.00 H new ATOM 0 HG22 VAL A 723 -0.746 -1.187 -6.217 1.00 0.00 H new ATOM 0 HG23 VAL A 723 -2.191 -0.155 -6.343 1.00 0.00 H new ATOM 542 N VAL A 724 -0.030 -0.699 -1.776 1.00 0.00 N ATOM 543 CA VAL A 724 0.588 -0.373 -0.496 1.00 0.00 C ATOM 544 C VAL A 724 1.551 0.802 -0.635 1.00 0.00 C ATOM 545 O VAL A 724 2.634 0.667 -1.203 1.00 0.00 O ATOM 546 CB VAL A 724 1.348 -1.580 0.084 1.00 0.00 C ATOM 547 CG1 VAL A 724 1.897 -1.252 1.465 1.00 0.00 C ATOM 548 CG2 VAL A 724 0.445 -2.803 0.137 1.00 0.00 C ATOM 0 H VAL A 724 0.247 -1.602 -2.160 1.00 0.00 H new ATOM 0 HA VAL A 724 -0.218 -0.100 0.185 1.00 0.00 H new ATOM 0 HB VAL A 724 2.189 -1.806 -0.571 1.00 0.00 H new ATOM 0 HG11 VAL A 724 2.431 -2.117 1.859 1.00 0.00 H new ATOM 0 HG12 VAL A 724 2.580 -0.406 1.393 1.00 0.00 H new ATOM 0 HG13 VAL A 724 1.074 -0.999 2.133 1.00 0.00 H new ATOM 0 HG21 VAL A 724 0.999 -3.646 0.549 1.00 0.00 H new ATOM 0 HG22 VAL A 724 -0.418 -2.591 0.769 1.00 0.00 H new ATOM 0 HG23 VAL A 724 0.106 -3.049 -0.869 1.00 0.00 H new ATOM 558 N LYS A 725 1.148 1.954 -0.110 1.00 0.00 N ATOM 559 CA LYS A 725 1.975 3.154 -0.173 1.00 0.00 C ATOM 560 C LYS A 725 2.983 3.180 0.972 1.00 0.00 C ATOM 561 O LYS A 725 4.131 3.586 0.792 1.00 0.00 O ATOM 562 CB LYS A 725 1.097 4.406 -0.122 1.00 0.00 C ATOM 563 CG LYS A 725 0.109 4.503 -1.272 1.00 0.00 C ATOM 564 CD LYS A 725 0.687 5.287 -2.439 1.00 0.00 C ATOM 565 CE LYS A 725 1.731 4.477 -3.192 1.00 0.00 C ATOM 566 NZ LYS A 725 3.103 4.714 -2.663 1.00 0.00 N ATOM 0 H LYS A 725 0.254 2.082 0.364 1.00 0.00 H new ATOM 0 HA LYS A 725 2.522 3.140 -1.116 1.00 0.00 H new ATOM 0 HB2 LYS A 725 0.548 4.417 0.820 1.00 0.00 H new ATOM 0 HB3 LYS A 725 1.737 5.289 -0.128 1.00 0.00 H new ATOM 0 HG2 LYS A 725 -0.163 3.501 -1.605 1.00 0.00 H new ATOM 0 HG3 LYS A 725 -0.806 4.984 -0.927 1.00 0.00 H new ATOM 0 HD2 LYS A 725 -0.115 5.572 -3.120 1.00 0.00 H new ATOM 0 HD3 LYS A 725 1.136 6.210 -2.072 1.00 0.00 H new ATOM 0 HE2 LYS A 725 1.491 3.416 -3.118 1.00 0.00 H new ATOM 0 HE3 LYS A 725 1.699 4.738 -4.250 1.00 0.00 H new ATOM 0 HZ1 LYS A 725 3.603 3.806 -2.576 1.00 0.00 H new ATOM 0 HZ2 LYS A 725 3.624 5.335 -3.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 725 3.041 5.166 -1.728 1.00 0.00 H new ATOM 580 N ASP A 726 2.546 2.743 2.148 1.00 0.00 N ATOM 581 CA ASP A 726 3.411 2.714 3.322 1.00 0.00 C ATOM 582 C ASP A 726 3.060 1.537 4.227 1.00 0.00 C ATOM 583 O ASP A 726 1.896 1.156 4.342 1.00 0.00 O ATOM 584 CB ASP A 726 3.294 4.025 4.101 1.00 0.00 C ATOM 585 CG ASP A 726 4.575 4.383 4.829 1.00 0.00 C ATOM 586 OD1 ASP A 726 5.616 4.535 4.157 1.00 0.00 O ATOM 587 OD2 ASP A 726 4.536 4.510 6.071 1.00 0.00 O ATOM 0 H ASP A 726 1.598 2.404 2.314 1.00 0.00 H new ATOM 0 HA ASP A 726 4.439 2.593 2.982 1.00 0.00 H new ATOM 0 HB2 ASP A 726 3.033 4.830 3.414 1.00 0.00 H new ATOM 0 HB3 ASP A 726 2.480 3.944 4.822 1.00 0.00 H new ATOM 592 N ALA A 727 4.076 0.966 4.867 1.00 0.00 N ATOM 593 CA ALA A 727 3.874 -0.167 5.762 1.00 0.00 C ATOM 594 C ALA A 727 3.978 0.262 7.221 1.00 0.00 C ATOM 595 O ALA A 727 5.004 0.790 7.653 1.00 0.00 O ATOM 596 CB ALA A 727 4.883 -1.265 5.459 1.00 0.00 C ATOM 0 H ALA A 727 5.046 1.269 4.782 1.00 0.00 H new ATOM 0 HA ALA A 727 2.870 -0.556 5.596 1.00 0.00 H new ATOM 0 HB1 ALA A 727 4.721 -2.105 6.135 1.00 0.00 H new ATOM 0 HB2 ALA A 727 4.759 -1.599 4.429 1.00 0.00 H new ATOM 0 HB3 ALA A 727 5.893 -0.879 5.596 1.00 0.00 H new ATOM 602 N THR A 728 2.910 0.032 7.979 1.00 0.00 N ATOM 603 CA THR A 728 2.881 0.396 9.389 1.00 0.00 C ATOM 604 C THR A 728 2.990 -0.838 10.278 1.00 0.00 C ATOM 605 O THR A 728 2.705 -1.953 9.844 1.00 0.00 O ATOM 606 CB THR A 728 1.591 1.158 9.746 1.00 0.00 C ATOM 607 OG1 THR A 728 1.126 1.894 8.609 1.00 0.00 O ATOM 608 CG2 THR A 728 1.829 2.110 10.909 1.00 0.00 C ATOM 0 H THR A 728 2.053 -0.405 7.639 1.00 0.00 H new ATOM 0 HA THR A 728 3.739 1.045 9.565 1.00 0.00 H new ATOM 0 HB THR A 728 0.835 0.430 10.041 1.00 0.00 H new ATOM 0 HG1 THR A 728 0.305 2.374 8.844 1.00 0.00 H new ATOM 0 HG21 THR A 728 0.904 2.637 11.143 1.00 0.00 H new ATOM 0 HG22 THR A 728 2.155 1.544 11.782 1.00 0.00 H new ATOM 0 HG23 THR A 728 2.599 2.832 10.637 1.00 0.00 H new ATOM 616 N GLU A 729 3.404 -0.630 11.524 1.00 0.00 N ATOM 617 CA GLU A 729 3.550 -1.727 12.473 1.00 0.00 C ATOM 618 C GLU A 729 2.340 -2.654 12.424 1.00 0.00 C ATOM 619 O GLU A 729 2.428 -3.782 11.939 1.00 0.00 O ATOM 620 CB GLU A 729 3.732 -1.183 13.892 1.00 0.00 C ATOM 621 CG GLU A 729 3.704 -2.258 14.964 1.00 0.00 C ATOM 622 CD GLU A 729 4.399 -1.827 16.241 1.00 0.00 C ATOM 623 OE1 GLU A 729 3.748 -1.164 17.075 1.00 0.00 O ATOM 624 OE2 GLU A 729 5.593 -2.152 16.407 1.00 0.00 O ATOM 0 H GLU A 729 3.644 0.288 11.899 1.00 0.00 H new ATOM 0 HA GLU A 729 4.435 -2.298 12.194 1.00 0.00 H new ATOM 0 HB2 GLU A 729 4.681 -0.650 13.949 1.00 0.00 H new ATOM 0 HB3 GLU A 729 2.946 -0.457 14.097 1.00 0.00 H new ATOM 0 HG2 GLU A 729 2.669 -2.516 15.188 1.00 0.00 H new ATOM 0 HG3 GLU A 729 4.182 -3.160 14.581 1.00 0.00 H new ATOM 631 N SER A 730 1.210 -2.171 12.930 1.00 0.00 N ATOM 632 CA SER A 730 -0.018 -2.957 12.948 1.00 0.00 C ATOM 633 C SER A 730 -1.004 -2.449 11.901 1.00 0.00 C ATOM 634 O SER A 730 -2.201 -2.729 11.970 1.00 0.00 O ATOM 635 CB SER A 730 -0.660 -2.907 14.336 1.00 0.00 C ATOM 636 OG SER A 730 0.157 -3.550 15.299 1.00 0.00 O ATOM 0 H SER A 730 1.119 -1.238 13.333 1.00 0.00 H new ATOM 0 HA SER A 730 0.237 -3.990 12.710 1.00 0.00 H new ATOM 0 HB2 SER A 730 -0.823 -1.869 14.627 1.00 0.00 H new ATOM 0 HB3 SER A 730 -1.638 -3.387 14.305 1.00 0.00 H new ATOM 0 HG SER A 730 -0.274 -3.503 16.178 1.00 0.00 H new ATOM 642 N THR A 731 -0.492 -1.698 10.930 1.00 0.00 N ATOM 643 CA THR A 731 -1.326 -1.149 9.868 1.00 0.00 C ATOM 644 C THR A 731 -0.532 -0.981 8.578 1.00 0.00 C ATOM 645 O THR A 731 0.683 -1.175 8.555 1.00 0.00 O ATOM 646 CB THR A 731 -1.924 0.212 10.271 1.00 0.00 C ATOM 647 OG1 THR A 731 -1.046 0.883 11.181 1.00 0.00 O ATOM 648 CG2 THR A 731 -3.290 0.032 10.916 1.00 0.00 C ATOM 0 H THR A 731 0.496 -1.456 10.858 1.00 0.00 H new ATOM 0 HA THR A 731 -2.137 -1.859 9.703 1.00 0.00 H new ATOM 0 HB THR A 731 -2.041 0.814 9.370 1.00 0.00 H new ATOM 0 HG1 THR A 731 -1.433 1.748 11.431 1.00 0.00 H new ATOM 0 HG21 THR A 731 -3.693 1.006 11.192 1.00 0.00 H new ATOM 0 HG22 THR A 731 -3.965 -0.453 10.210 1.00 0.00 H new ATOM 0 HG23 THR A 731 -3.192 -0.587 11.808 1.00 0.00 H new ATOM 656 N ALA A 732 -1.227 -0.617 7.505 1.00 0.00 N ATOM 657 CA ALA A 732 -0.586 -0.419 6.210 1.00 0.00 C ATOM 658 C ALA A 732 -1.325 0.629 5.386 1.00 0.00 C ATOM 659 O ALA A 732 -2.508 0.472 5.082 1.00 0.00 O ATOM 660 CB ALA A 732 -0.513 -1.736 5.451 1.00 0.00 C ATOM 0 H ALA A 732 -2.234 -0.453 7.507 1.00 0.00 H new ATOM 0 HA ALA A 732 0.427 -0.056 6.385 1.00 0.00 H new ATOM 0 HB1 ALA A 732 -0.032 -1.574 4.486 1.00 0.00 H new ATOM 0 HB2 ALA A 732 0.066 -2.457 6.028 1.00 0.00 H new ATOM 0 HB3 ALA A 732 -1.520 -2.122 5.294 1.00 0.00 H new ATOM 666 N ARG A 733 -0.621 1.698 5.027 1.00 0.00 N ATOM 667 CA ARG A 733 -1.212 2.773 4.240 1.00 0.00 C ATOM 668 C ARG A 733 -1.358 2.359 2.778 1.00 0.00 C ATOM 669 O ARG A 733 -0.406 2.438 2.001 1.00 0.00 O ATOM 670 CB ARG A 733 -0.356 4.037 4.340 1.00 0.00 C ATOM 671 CG ARG A 733 -0.067 4.465 5.769 1.00 0.00 C ATOM 672 CD ARG A 733 -1.350 4.727 6.543 1.00 0.00 C ATOM 673 NE ARG A 733 -1.133 5.623 7.675 1.00 0.00 N ATOM 674 CZ ARG A 733 -0.821 6.908 7.545 1.00 0.00 C ATOM 675 NH1 ARG A 733 -0.691 7.444 6.339 1.00 0.00 N ATOM 676 NH2 ARG A 733 -0.640 7.660 8.623 1.00 0.00 N ATOM 0 H ARG A 733 0.359 1.842 5.269 1.00 0.00 H new ATOM 0 HA ARG A 733 -2.204 2.981 4.642 1.00 0.00 H new ATOM 0 HB2 ARG A 733 0.588 3.868 3.822 1.00 0.00 H new ATOM 0 HB3 ARG A 733 -0.863 4.851 3.821 1.00 0.00 H new ATOM 0 HG2 ARG A 733 0.511 3.690 6.272 1.00 0.00 H new ATOM 0 HG3 ARG A 733 0.546 5.366 5.763 1.00 0.00 H new ATOM 0 HD2 ARG A 733 -2.094 5.161 5.875 1.00 0.00 H new ATOM 0 HD3 ARG A 733 -1.756 3.781 6.902 1.00 0.00 H new ATOM 0 HE ARG A 733 -1.226 5.242 8.617 1.00 0.00 H new ATOM 0 HH11 ARG A 733 -0.831 6.870 5.508 1.00 0.00 H new ATOM 0 HH12 ARG A 733 -0.451 8.431 6.243 1.00 0.00 H new ATOM 0 HH21 ARG A 733 -0.740 7.252 9.552 1.00 0.00 H new ATOM 0 HH22 ARG A 733 -0.400 8.646 8.522 1.00 0.00 H new ATOM 690 N VAL A 734 -2.556 1.916 2.411 1.00 0.00 N ATOM 691 CA VAL A 734 -2.827 1.490 1.043 1.00 0.00 C ATOM 692 C VAL A 734 -3.658 2.528 0.298 1.00 0.00 C ATOM 693 O VAL A 734 -4.516 3.187 0.885 1.00 0.00 O ATOM 694 CB VAL A 734 -3.566 0.139 1.012 1.00 0.00 C ATOM 695 CG1 VAL A 734 -3.934 -0.236 -0.416 1.00 0.00 C ATOM 696 CG2 VAL A 734 -2.717 -0.947 1.655 1.00 0.00 C ATOM 0 H VAL A 734 -3.354 1.843 3.042 1.00 0.00 H new ATOM 0 HA VAL A 734 -1.862 1.380 0.549 1.00 0.00 H new ATOM 0 HB VAL A 734 -4.488 0.235 1.586 1.00 0.00 H new ATOM 0 HG11 VAL A 734 -4.455 -1.193 -0.418 1.00 0.00 H new ATOM 0 HG12 VAL A 734 -4.583 0.531 -0.838 1.00 0.00 H new ATOM 0 HG13 VAL A 734 -3.028 -0.315 -1.016 1.00 0.00 H new ATOM 0 HG21 VAL A 734 -3.254 -1.895 1.624 1.00 0.00 H new ATOM 0 HG22 VAL A 734 -1.778 -1.045 1.111 1.00 0.00 H new ATOM 0 HG23 VAL A 734 -2.510 -0.681 2.691 1.00 0.00 H new ATOM 706 N GLU A 735 -3.398 2.668 -0.998 1.00 0.00 N ATOM 707 CA GLU A 735 -4.123 3.628 -1.823 1.00 0.00 C ATOM 708 C GLU A 735 -5.098 2.916 -2.756 1.00 0.00 C ATOM 709 O GLU A 735 -4.702 2.369 -3.786 1.00 0.00 O ATOM 710 CB GLU A 735 -3.144 4.474 -2.639 1.00 0.00 C ATOM 711 CG GLU A 735 -3.823 5.403 -3.631 1.00 0.00 C ATOM 712 CD GLU A 735 -2.896 5.845 -4.746 1.00 0.00 C ATOM 713 OE1 GLU A 735 -2.780 5.110 -5.749 1.00 0.00 O ATOM 714 OE2 GLU A 735 -2.285 6.927 -4.616 1.00 0.00 O ATOM 0 H GLU A 735 -2.691 2.130 -1.499 1.00 0.00 H new ATOM 0 HA GLU A 735 -4.692 4.281 -1.161 1.00 0.00 H new ATOM 0 HB2 GLU A 735 -2.534 5.067 -1.958 1.00 0.00 H new ATOM 0 HB3 GLU A 735 -2.467 3.812 -3.179 1.00 0.00 H new ATOM 0 HG2 GLU A 735 -4.688 4.899 -4.062 1.00 0.00 H new ATOM 0 HG3 GLU A 735 -4.196 6.281 -3.104 1.00 0.00 H new ATOM 721 N LEU A 736 -6.375 2.926 -2.387 1.00 0.00 N ATOM 722 CA LEU A 736 -7.408 2.281 -3.190 1.00 0.00 C ATOM 723 C LEU A 736 -7.306 2.706 -4.652 1.00 0.00 C ATOM 724 O LEU A 736 -6.732 3.749 -4.968 1.00 0.00 O ATOM 725 CB LEU A 736 -8.794 2.624 -2.643 1.00 0.00 C ATOM 726 CG LEU A 736 -9.205 1.904 -1.358 1.00 0.00 C ATOM 727 CD1 LEU A 736 -10.403 2.592 -0.721 1.00 0.00 C ATOM 728 CD2 LEU A 736 -9.516 0.442 -1.642 1.00 0.00 C ATOM 0 H LEU A 736 -6.719 3.373 -1.537 1.00 0.00 H new ATOM 0 HA LEU A 736 -7.258 1.203 -3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -8.836 3.698 -2.463 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -9.532 2.400 -3.413 1.00 0.00 H new ATOM 0 HG LEU A 736 -8.372 1.948 -0.657 1.00 0.00 H new ATOM 0 HD11 LEU A 736 -10.682 2.066 0.192 1.00 0.00 H new ATOM 0 HD12 LEU A 736 -10.145 3.624 -0.481 1.00 0.00 H new ATOM 0 HD13 LEU A 736 -11.242 2.580 -1.417 1.00 0.00 H new ATOM 0 HD21 LEU A 736 -9.807 -0.055 -0.716 1.00 0.00 H new ATOM 0 HD22 LEU A 736 -10.333 0.377 -2.361 1.00 0.00 H new ATOM 0 HD23 LEU A 736 -8.632 -0.045 -2.053 1.00 0.00 H new ATOM 740 N HIS A 737 -7.870 1.893 -5.540 1.00 0.00 N ATOM 741 CA HIS A 737 -7.845 2.187 -6.968 1.00 0.00 C ATOM 742 C HIS A 737 -9.054 3.025 -7.372 1.00 0.00 C ATOM 743 O HIS A 737 -8.911 4.092 -7.968 1.00 0.00 O ATOM 744 CB HIS A 737 -7.817 0.889 -7.776 1.00 0.00 C ATOM 745 CG HIS A 737 -6.460 0.261 -7.855 1.00 0.00 C ATOM 746 ND1 HIS A 737 -6.090 -0.610 -8.858 1.00 0.00 N ATOM 747 CD2 HIS A 737 -5.379 0.385 -7.049 1.00 0.00 C ATOM 748 CE1 HIS A 737 -4.842 -0.997 -8.665 1.00 0.00 C ATOM 749 NE2 HIS A 737 -4.387 -0.407 -7.574 1.00 0.00 N ATOM 0 H HIS A 737 -8.349 1.026 -5.296 1.00 0.00 H new ATOM 0 HA HIS A 737 -6.942 2.759 -7.180 1.00 0.00 H new ATOM 0 HB2 HIS A 737 -8.512 0.178 -7.329 1.00 0.00 H new ATOM 0 HB3 HIS A 737 -8.174 1.092 -8.786 1.00 0.00 H new ATOM 0 HD1 HIS A 737 -6.687 -0.909 -9.629 1.00 0.00 H new ATOM 0 HD2 HIS A 737 -5.310 0.993 -6.159 1.00 0.00 H new ATOM 0 HE1 HIS A 737 -4.288 -1.680 -9.292 1.00 0.00 H new ATOM 757 N SER A 738 -10.245 2.534 -7.043 1.00 0.00 N ATOM 758 CA SER A 738 -11.480 3.236 -7.376 1.00 0.00 C ATOM 759 C SER A 738 -11.536 4.594 -6.683 1.00 0.00 C ATOM 760 O SER A 738 -11.471 5.639 -7.331 1.00 0.00 O ATOM 761 CB SER A 738 -12.693 2.395 -6.974 1.00 0.00 C ATOM 762 OG SER A 738 -13.813 2.695 -7.789 1.00 0.00 O ATOM 0 H SER A 738 -10.381 1.653 -6.546 1.00 0.00 H new ATOM 0 HA SER A 738 -11.499 3.397 -8.454 1.00 0.00 H new ATOM 0 HB2 SER A 738 -12.450 1.336 -7.060 1.00 0.00 H new ATOM 0 HB3 SER A 738 -12.939 2.582 -5.929 1.00 0.00 H new ATOM 0 HG SER A 738 -14.575 2.144 -7.514 1.00 0.00 H new ATOM 768 N THR A 739 -11.657 4.571 -5.359 1.00 0.00 N ATOM 769 CA THR A 739 -11.723 5.799 -4.576 1.00 0.00 C ATOM 770 C THR A 739 -10.448 6.619 -4.732 1.00 0.00 C ATOM 771 O THR A 739 -10.458 7.839 -4.562 1.00 0.00 O ATOM 772 CB THR A 739 -11.950 5.501 -3.082 1.00 0.00 C ATOM 773 OG1 THR A 739 -10.865 4.720 -2.568 1.00 0.00 O ATOM 774 CG2 THR A 739 -13.260 4.759 -2.871 1.00 0.00 C ATOM 0 H THR A 739 -11.711 3.715 -4.807 1.00 0.00 H new ATOM 0 HA THR A 739 -12.569 6.372 -4.956 1.00 0.00 H new ATOM 0 HB THR A 739 -11.999 6.450 -2.548 1.00 0.00 H new ATOM 0 HG1 THR A 739 -10.328 5.267 -1.957 1.00 0.00 H new ATOM 0 HG21 THR A 739 -13.398 4.560 -1.808 1.00 0.00 H new ATOM 0 HG22 THR A 739 -14.086 5.369 -3.236 1.00 0.00 H new ATOM 0 HG23 THR A 739 -13.236 3.816 -3.417 1.00 0.00 H new ATOM 782 N CYS A 740 -9.351 5.944 -5.056 1.00 0.00 N ATOM 783 CA CYS A 740 -8.066 6.611 -5.234 1.00 0.00 C ATOM 784 C CYS A 740 -7.697 7.420 -3.994 1.00 0.00 C ATOM 785 O CYS A 740 -7.375 8.603 -4.088 1.00 0.00 O ATOM 786 CB CYS A 740 -8.109 7.525 -6.460 1.00 0.00 C ATOM 787 SG CYS A 740 -6.482 8.069 -7.031 1.00 0.00 S ATOM 0 H CYS A 740 -9.325 4.935 -5.201 1.00 0.00 H new ATOM 0 HA CYS A 740 -7.305 5.846 -5.386 1.00 0.00 H new ATOM 0 HB2 CYS A 740 -8.611 7.001 -7.273 1.00 0.00 H new ATOM 0 HB3 CYS A 740 -8.712 8.402 -6.225 1.00 0.00 H new ATOM 0 HG CYS A 740 -6.621 8.835 -8.072 1.00 0.00 H new ATOM 793 N GLN A 741 -7.748 6.772 -2.835 1.00 0.00 N ATOM 794 CA GLN A 741 -7.421 7.432 -1.577 1.00 0.00 C ATOM 795 C GLN A 741 -6.542 6.540 -0.706 1.00 0.00 C ATOM 796 O GLN A 741 -6.683 5.316 -0.711 1.00 0.00 O ATOM 797 CB GLN A 741 -8.700 7.800 -0.822 1.00 0.00 C ATOM 798 CG GLN A 741 -9.513 8.891 -1.500 1.00 0.00 C ATOM 799 CD GLN A 741 -10.353 9.686 -0.520 1.00 0.00 C ATOM 800 OE1 GLN A 741 -10.097 9.678 0.684 1.00 0.00 O ATOM 801 NE2 GLN A 741 -11.364 10.379 -1.032 1.00 0.00 N ATOM 0 H GLN A 741 -8.012 5.791 -2.741 1.00 0.00 H new ATOM 0 HA GLN A 741 -6.868 8.343 -1.807 1.00 0.00 H new ATOM 0 HB2 GLN A 741 -9.319 6.909 -0.717 1.00 0.00 H new ATOM 0 HB3 GLN A 741 -8.437 8.126 0.184 1.00 0.00 H new ATOM 0 HG2 GLN A 741 -8.839 9.567 -2.027 1.00 0.00 H new ATOM 0 HG3 GLN A 741 -10.164 8.441 -2.250 1.00 0.00 H new ATOM 0 HE21 GLN A 741 -11.540 10.357 -2.036 1.00 0.00 H new ATOM 0 HE22 GLN A 741 -11.964 10.933 -0.421 1.00 0.00 H new ATOM 810 N THR A 742 -5.633 7.160 0.040 1.00 0.00 N ATOM 811 CA THR A 742 -4.730 6.422 0.915 1.00 0.00 C ATOM 812 C THR A 742 -5.341 6.228 2.298 1.00 0.00 C ATOM 813 O THR A 742 -5.526 7.188 3.045 1.00 0.00 O ATOM 814 CB THR A 742 -3.377 7.143 1.061 1.00 0.00 C ATOM 815 OG1 THR A 742 -2.866 7.493 -0.231 1.00 0.00 O ATOM 816 CG2 THR A 742 -2.371 6.263 1.788 1.00 0.00 C ATOM 0 H THR A 742 -5.503 8.172 0.056 1.00 0.00 H new ATOM 0 HA THR A 742 -4.567 5.448 0.453 1.00 0.00 H new ATOM 0 HB THR A 742 -3.534 8.049 1.647 1.00 0.00 H new ATOM 0 HG1 THR A 742 -2.006 7.953 -0.129 1.00 0.00 H new ATOM 0 HG21 THR A 742 -1.423 6.793 1.879 1.00 0.00 H new ATOM 0 HG22 THR A 742 -2.749 6.022 2.781 1.00 0.00 H new ATOM 0 HG23 THR A 742 -2.219 5.342 1.225 1.00 0.00 H new ATOM 824 N ILE A 743 -5.651 4.980 2.632 1.00 0.00 N ATOM 825 CA ILE A 743 -6.239 4.660 3.927 1.00 0.00 C ATOM 826 C ILE A 743 -5.371 3.670 4.696 1.00 0.00 C ATOM 827 O ILE A 743 -4.601 2.914 4.104 1.00 0.00 O ATOM 828 CB ILE A 743 -7.654 4.071 3.772 1.00 0.00 C ATOM 829 CG1 ILE A 743 -7.609 2.789 2.938 1.00 0.00 C ATOM 830 CG2 ILE A 743 -8.586 5.091 3.135 1.00 0.00 C ATOM 831 CD1 ILE A 743 -8.690 1.795 3.298 1.00 0.00 C ATOM 0 H ILE A 743 -5.505 4.174 2.024 1.00 0.00 H new ATOM 0 HA ILE A 743 -6.301 5.594 4.485 1.00 0.00 H new ATOM 0 HB ILE A 743 -8.039 3.825 4.762 1.00 0.00 H new ATOM 0 HG12 ILE A 743 -7.702 3.048 1.883 1.00 0.00 H new ATOM 0 HG13 ILE A 743 -6.635 2.316 3.066 1.00 0.00 H new ATOM 0 HG21 ILE A 743 -9.582 4.660 3.032 1.00 0.00 H new ATOM 0 HG22 ILE A 743 -8.638 5.979 3.765 1.00 0.00 H new ATOM 0 HG23 ILE A 743 -8.206 5.366 2.151 1.00 0.00 H new ATOM 0 HD11 ILE A 743 -8.597 0.911 2.667 1.00 0.00 H new ATOM 0 HD12 ILE A 743 -8.585 1.507 4.344 1.00 0.00 H new ATOM 0 HD13 ILE A 743 -9.668 2.250 3.143 1.00 0.00 H new ATOM 843 N SER A 744 -5.501 3.680 6.019 1.00 0.00 N ATOM 844 CA SER A 744 -4.726 2.785 6.870 1.00 0.00 C ATOM 845 C SER A 744 -5.540 1.550 7.242 1.00 0.00 C ATOM 846 O SER A 744 -6.638 1.657 7.789 1.00 0.00 O ATOM 847 CB SER A 744 -4.277 3.515 8.138 1.00 0.00 C ATOM 848 OG SER A 744 -5.391 3.925 8.912 1.00 0.00 O ATOM 0 H SER A 744 -6.136 4.298 6.525 1.00 0.00 H new ATOM 0 HA SER A 744 -3.846 2.464 6.313 1.00 0.00 H new ATOM 0 HB2 SER A 744 -3.639 2.860 8.732 1.00 0.00 H new ATOM 0 HB3 SER A 744 -3.678 4.385 7.868 1.00 0.00 H new ATOM 0 HG SER A 744 -6.175 3.391 8.665 1.00 0.00 H new ATOM 854 N VAL A 745 -4.994 0.376 6.941 1.00 0.00 N ATOM 855 CA VAL A 745 -5.667 -0.881 7.244 1.00 0.00 C ATOM 856 C VAL A 745 -4.705 -1.883 7.873 1.00 0.00 C ATOM 857 O VAL A 745 -3.506 -1.867 7.593 1.00 0.00 O ATOM 858 CB VAL A 745 -6.286 -1.505 5.979 1.00 0.00 C ATOM 859 CG1 VAL A 745 -7.034 -2.784 6.325 1.00 0.00 C ATOM 860 CG2 VAL A 745 -7.206 -0.509 5.289 1.00 0.00 C ATOM 0 H VAL A 745 -4.087 0.270 6.487 1.00 0.00 H new ATOM 0 HA VAL A 745 -6.462 -0.651 7.954 1.00 0.00 H new ATOM 0 HB VAL A 745 -5.481 -1.759 5.289 1.00 0.00 H new ATOM 0 HG11 VAL A 745 -7.464 -3.210 5.419 1.00 0.00 H new ATOM 0 HG12 VAL A 745 -6.344 -3.500 6.770 1.00 0.00 H new ATOM 0 HG13 VAL A 745 -7.831 -2.559 7.034 1.00 0.00 H new ATOM 0 HG21 VAL A 745 -7.634 -0.967 4.397 1.00 0.00 H new ATOM 0 HG22 VAL A 745 -8.007 -0.221 5.970 1.00 0.00 H new ATOM 0 HG23 VAL A 745 -6.636 0.376 5.005 1.00 0.00 H new ATOM 870 N ASP A 746 -5.238 -2.753 8.723 1.00 0.00 N ATOM 871 CA ASP A 746 -4.427 -3.764 9.391 1.00 0.00 C ATOM 872 C ASP A 746 -3.656 -4.601 8.375 1.00 0.00 C ATOM 873 O ASP A 746 -4.239 -5.158 7.445 1.00 0.00 O ATOM 874 CB ASP A 746 -5.309 -4.669 10.252 1.00 0.00 C ATOM 875 CG ASP A 746 -4.524 -5.382 11.336 1.00 0.00 C ATOM 876 OD1 ASP A 746 -4.121 -4.715 12.313 1.00 0.00 O ATOM 877 OD2 ASP A 746 -4.313 -6.606 11.208 1.00 0.00 O ATOM 0 H ASP A 746 -6.228 -2.779 8.966 1.00 0.00 H new ATOM 0 HA ASP A 746 -3.709 -3.253 10.033 1.00 0.00 H new ATOM 0 HB2 ASP A 746 -6.097 -4.073 10.711 1.00 0.00 H new ATOM 0 HB3 ASP A 746 -5.797 -5.407 9.616 1.00 0.00 H new ATOM 882 N ARG A 747 -2.343 -4.685 8.559 1.00 0.00 N ATOM 883 CA ARG A 747 -1.492 -5.452 7.657 1.00 0.00 C ATOM 884 C ARG A 747 -2.115 -6.810 7.346 1.00 0.00 C ATOM 885 O ARG A 747 -1.930 -7.353 6.257 1.00 0.00 O ATOM 886 CB ARG A 747 -0.104 -5.645 8.271 1.00 0.00 C ATOM 887 CG ARG A 747 0.648 -4.343 8.497 1.00 0.00 C ATOM 888 CD ARG A 747 2.153 -4.561 8.494 1.00 0.00 C ATOM 889 NE ARG A 747 2.631 -5.099 9.765 1.00 0.00 N ATOM 890 CZ ARG A 747 3.826 -5.656 9.925 1.00 0.00 C ATOM 891 NH1 ARG A 747 4.661 -5.747 8.899 1.00 0.00 N ATOM 892 NH2 ARG A 747 4.189 -6.122 11.113 1.00 0.00 N ATOM 0 H ARG A 747 -1.845 -4.231 9.325 1.00 0.00 H new ATOM 0 HA ARG A 747 -1.395 -4.893 6.726 1.00 0.00 H new ATOM 0 HB2 ARG A 747 -0.206 -6.166 9.223 1.00 0.00 H new ATOM 0 HB3 ARG A 747 0.487 -6.287 7.618 1.00 0.00 H new ATOM 0 HG2 ARG A 747 0.381 -3.628 7.719 1.00 0.00 H new ATOM 0 HG3 ARG A 747 0.344 -3.907 9.449 1.00 0.00 H new ATOM 0 HD2 ARG A 747 2.418 -5.245 7.688 1.00 0.00 H new ATOM 0 HD3 ARG A 747 2.656 -3.616 8.288 1.00 0.00 H new ATOM 0 HE ARG A 747 2.013 -5.044 10.574 1.00 0.00 H new ATOM 0 HH11 ARG A 747 4.386 -5.389 7.984 1.00 0.00 H new ATOM 0 HH12 ARG A 747 5.578 -6.175 9.024 1.00 0.00 H new ATOM 0 HH21 ARG A 747 3.550 -6.053 11.905 1.00 0.00 H new ATOM 0 HH22 ARG A 747 5.107 -6.550 11.234 1.00 0.00 H new ATOM 906 N GLN A 748 -2.852 -7.352 8.310 1.00 0.00 N ATOM 907 CA GLN A 748 -3.501 -8.647 8.139 1.00 0.00 C ATOM 908 C GLN A 748 -4.781 -8.510 7.322 1.00 0.00 C ATOM 909 O GLN A 748 -5.062 -9.330 6.448 1.00 0.00 O ATOM 910 CB GLN A 748 -3.814 -9.268 9.501 1.00 0.00 C ATOM 911 CG GLN A 748 -2.577 -9.574 10.330 1.00 0.00 C ATOM 912 CD GLN A 748 -2.033 -10.965 10.075 1.00 0.00 C ATOM 913 OE1 GLN A 748 -2.158 -11.857 10.916 1.00 0.00 O ATOM 914 NE2 GLN A 748 -1.425 -11.160 8.911 1.00 0.00 N ATOM 0 H GLN A 748 -3.015 -6.915 9.217 1.00 0.00 H new ATOM 0 HA GLN A 748 -2.816 -9.301 7.599 1.00 0.00 H new ATOM 0 HB2 GLN A 748 -4.457 -8.589 10.061 1.00 0.00 H new ATOM 0 HB3 GLN A 748 -4.377 -10.189 9.350 1.00 0.00 H new ATOM 0 HG2 GLN A 748 -1.804 -8.839 10.107 1.00 0.00 H new ATOM 0 HG3 GLN A 748 -2.819 -9.471 11.388 1.00 0.00 H new ATOM 0 HE21 GLN A 748 -1.344 -10.393 8.243 1.00 0.00 H new ATOM 0 HE22 GLN A 748 -1.039 -12.077 8.684 1.00 0.00 H new ATOM 923 N ARG A 749 -5.555 -7.470 7.613 1.00 0.00 N ATOM 924 CA ARG A 749 -6.806 -7.227 6.906 1.00 0.00 C ATOM 925 C ARG A 749 -6.574 -7.145 5.400 1.00 0.00 C ATOM 926 O ARG A 749 -7.518 -7.198 4.612 1.00 0.00 O ATOM 927 CB ARG A 749 -7.455 -5.933 7.404 1.00 0.00 C ATOM 928 CG ARG A 749 -8.257 -6.107 8.683 1.00 0.00 C ATOM 929 CD ARG A 749 -9.043 -4.850 9.023 1.00 0.00 C ATOM 930 NE ARG A 749 -9.573 -4.887 10.383 1.00 0.00 N ATOM 931 CZ ARG A 749 -10.032 -3.817 11.022 1.00 0.00 C ATOM 932 NH1 ARG A 749 -10.027 -2.632 10.427 1.00 0.00 N ATOM 933 NH2 ARG A 749 -10.499 -3.931 12.259 1.00 0.00 N ATOM 0 H ARG A 749 -5.338 -6.782 8.334 1.00 0.00 H new ATOM 0 HA ARG A 749 -7.476 -8.063 7.108 1.00 0.00 H new ATOM 0 HB2 ARG A 749 -6.678 -5.188 7.571 1.00 0.00 H new ATOM 0 HB3 ARG A 749 -8.109 -5.542 6.625 1.00 0.00 H new ATOM 0 HG2 ARG A 749 -8.942 -6.947 8.572 1.00 0.00 H new ATOM 0 HG3 ARG A 749 -7.584 -6.350 9.505 1.00 0.00 H new ATOM 0 HD2 ARG A 749 -8.399 -3.978 8.908 1.00 0.00 H new ATOM 0 HD3 ARG A 749 -9.865 -4.734 8.317 1.00 0.00 H new ATOM 0 HE ARG A 749 -9.592 -5.784 10.869 1.00 0.00 H new ATOM 0 HH11 ARG A 749 -9.670 -2.540 9.476 1.00 0.00 H new ATOM 0 HH12 ARG A 749 -10.380 -1.812 10.920 1.00 0.00 H new ATOM 0 HH21 ARG A 749 -10.506 -4.841 12.720 1.00 0.00 H new ATOM 0 HH22 ARG A 749 -10.851 -3.109 12.749 1.00 0.00 H new ATOM 947 N LEU A 750 -5.311 -7.016 5.008 1.00 0.00 N ATOM 948 CA LEU A 750 -4.954 -6.927 3.597 1.00 0.00 C ATOM 949 C LEU A 750 -4.488 -8.279 3.067 1.00 0.00 C ATOM 950 O LEU A 750 -3.577 -8.896 3.621 1.00 0.00 O ATOM 951 CB LEU A 750 -3.856 -5.881 3.394 1.00 0.00 C ATOM 952 CG LEU A 750 -4.134 -4.495 3.977 1.00 0.00 C ATOM 953 CD1 LEU A 750 -2.846 -3.692 4.081 1.00 0.00 C ATOM 954 CD2 LEU A 750 -5.159 -3.755 3.129 1.00 0.00 C ATOM 0 H LEU A 750 -4.518 -6.971 5.647 1.00 0.00 H new ATOM 0 HA LEU A 750 -5.842 -6.626 3.041 1.00 0.00 H new ATOM 0 HB2 LEU A 750 -2.934 -6.261 3.835 1.00 0.00 H new ATOM 0 HB3 LEU A 750 -3.677 -5.774 2.324 1.00 0.00 H new ATOM 0 HG LEU A 750 -4.543 -4.619 4.980 1.00 0.00 H new ATOM 0 HD11 LEU A 750 -3.063 -2.709 4.498 1.00 0.00 H new ATOM 0 HD12 LEU A 750 -2.143 -4.214 4.730 1.00 0.00 H new ATOM 0 HD13 LEU A 750 -2.408 -3.577 3.090 1.00 0.00 H new ATOM 0 HD21 LEU A 750 -5.344 -2.771 3.559 1.00 0.00 H new ATOM 0 HD22 LEU A 750 -4.778 -3.642 2.114 1.00 0.00 H new ATOM 0 HD23 LEU A 750 -6.090 -4.322 3.106 1.00 0.00 H new ATOM 966 N THR A 751 -5.116 -8.734 1.987 1.00 0.00 N ATOM 967 CA THR A 751 -4.766 -10.013 1.381 1.00 0.00 C ATOM 968 C THR A 751 -4.032 -9.812 0.060 1.00 0.00 C ATOM 969 O THR A 751 -4.654 -9.601 -0.982 1.00 0.00 O ATOM 970 CB THR A 751 -6.016 -10.879 1.135 1.00 0.00 C ATOM 971 OG1 THR A 751 -6.777 -10.995 2.342 1.00 0.00 O ATOM 972 CG2 THR A 751 -5.625 -12.264 0.641 1.00 0.00 C ATOM 0 H THR A 751 -5.870 -8.236 1.514 1.00 0.00 H new ATOM 0 HA THR A 751 -4.110 -10.527 2.083 1.00 0.00 H new ATOM 0 HB THR A 751 -6.622 -10.395 0.369 1.00 0.00 H new ATOM 0 HG1 THR A 751 -7.571 -11.546 2.177 1.00 0.00 H new ATOM 0 HG21 THR A 751 -6.524 -12.858 0.474 1.00 0.00 H new ATOM 0 HG22 THR A 751 -5.071 -12.174 -0.293 1.00 0.00 H new ATOM 0 HG23 THR A 751 -5.000 -12.754 1.388 1.00 0.00 H new ATOM 980 N THR A 752 -2.706 -9.878 0.109 1.00 0.00 N ATOM 981 CA THR A 752 -1.887 -9.703 -1.084 1.00 0.00 C ATOM 982 C THR A 752 -2.508 -10.408 -2.285 1.00 0.00 C ATOM 983 O THR A 752 -2.685 -11.626 -2.280 1.00 0.00 O ATOM 984 CB THR A 752 -0.459 -10.241 -0.870 1.00 0.00 C ATOM 985 OG1 THR A 752 -0.510 -11.535 -0.259 1.00 0.00 O ATOM 986 CG2 THR A 752 0.350 -9.294 0.004 1.00 0.00 C ATOM 0 H THR A 752 -2.176 -10.052 0.963 1.00 0.00 H new ATOM 0 HA THR A 752 -1.838 -8.632 -1.279 1.00 0.00 H new ATOM 0 HB THR A 752 0.027 -10.318 -1.843 1.00 0.00 H new ATOM 0 HG1 THR A 752 -1.161 -12.095 -0.732 1.00 0.00 H new ATOM 0 HG21 THR A 752 1.354 -9.694 0.141 1.00 0.00 H new ATOM 0 HG22 THR A 752 0.411 -8.318 -0.477 1.00 0.00 H new ATOM 0 HG23 THR A 752 -0.135 -9.191 0.975 1.00 0.00 H new ATOM 994 N VAL A 753 -2.836 -9.634 -3.315 1.00 0.00 N ATOM 995 CA VAL A 753 -3.436 -10.184 -4.524 1.00 0.00 C ATOM 996 C VAL A 753 -2.467 -11.117 -5.242 1.00 0.00 C ATOM 997 O VAL A 753 -2.748 -12.301 -5.424 1.00 0.00 O ATOM 998 CB VAL A 753 -3.870 -9.069 -5.493 1.00 0.00 C ATOM 999 CG1 VAL A 753 -4.389 -9.663 -6.794 1.00 0.00 C ATOM 1000 CG2 VAL A 753 -4.922 -8.181 -4.846 1.00 0.00 C ATOM 0 H VAL A 753 -2.696 -8.624 -3.336 1.00 0.00 H new ATOM 0 HA VAL A 753 -4.316 -10.747 -4.213 1.00 0.00 H new ATOM 0 HB VAL A 753 -3.000 -8.454 -5.724 1.00 0.00 H new ATOM 0 HG11 VAL A 753 -4.691 -8.860 -7.466 1.00 0.00 H new ATOM 0 HG12 VAL A 753 -3.602 -10.253 -7.264 1.00 0.00 H new ATOM 0 HG13 VAL A 753 -5.246 -10.303 -6.585 1.00 0.00 H new ATOM 0 HG21 VAL A 753 -5.217 -7.398 -5.545 1.00 0.00 H new ATOM 0 HG22 VAL A 753 -5.793 -8.781 -4.584 1.00 0.00 H new ATOM 0 HG23 VAL A 753 -4.510 -7.726 -3.945 1.00 0.00 H new