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= -0.11 K(o=-0.11,f=-1.9!) USER MOD Single : A 708 GLN : amide:sc= -0.484 K(o=-0.48,f=-1.3) 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= -0.0839 K(o=-0.084,f=-0.78) 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 180:sc= 0 USER MOD Single : A 730 SER OG : rot 180:sc= 0 USER MOD Single : A 731 THR OG1 : rot 180:sc= -0.931 USER MOD Single : A 737 HIS : no HE2:sc= -1.3 K(o=-1.3,f=-4.9!) USER MOD Single : A 738 SER OG : rot 180:sc= 0 USER MOD Single : A 739 THR OG1 : rot -75:sc= -1.99 USER MOD Single : A 740 CYS SG : rot 44:sc= 0.755 USER MOD Single : A 741 GLN : amide:sc= -7.22! C(o=-7.2!,f=-9.2!) USER MOD Single : A 742 THR OG1 : rot 180:sc= 0 USER MOD Single : A 744 SER OG : rot 27:sc= 0.637 USER MOD Single : A 748 GLN : amide:sc= -0.149 X(o=-0.15,f=-0.0057) USER MOD Single : A 751 THR OG1 : rot 180:sc= 0 USER MOD Single : A 752 THR OG1 : rot 47:sc= 0.0554 USER MOD ----------------------------------------------------------------- ATOM 216 N ASN A 703 9.984 -1.132 3.174 1.00 0.00 N ATOM 217 CA ASN A 703 9.176 -0.706 2.037 1.00 0.00 C ATOM 218 C ASN A 703 9.160 -1.776 0.950 1.00 0.00 C ATOM 219 O ASN A 703 9.019 -1.469 -0.234 1.00 0.00 O ATOM 220 CB ASN A 703 9.713 0.608 1.467 1.00 0.00 C ATOM 221 CG ASN A 703 11.219 0.590 1.291 1.00 0.00 C ATOM 222 OD1 ASN A 703 11.778 -0.354 0.731 1.00 0.00 O ATOM 223 ND2 ASN A 703 11.884 1.635 1.770 1.00 0.00 N ATOM 0 HA ASN A 703 8.155 -0.552 2.386 1.00 0.00 H new ATOM 0 HB2 ASN A 703 9.240 0.803 0.505 1.00 0.00 H new ATOM 0 HB3 ASN A 703 9.437 1.428 2.130 1.00 0.00 H new ATOM 0 HD21 ASN A 703 12.899 1.678 1.681 1.00 0.00 H new ATOM 0 HD22 ASN A 703 11.380 2.395 2.227 1.00 0.00 H new ATOM 230 N GLU A 704 9.305 -3.032 1.360 1.00 0.00 N ATOM 231 CA GLU A 704 9.308 -4.147 0.420 1.00 0.00 C ATOM 232 C GLU A 704 7.900 -4.420 -0.103 1.00 0.00 C ATOM 233 O GLU A 704 7.715 -4.752 -1.274 1.00 0.00 O ATOM 234 CB GLU A 704 9.869 -5.404 1.087 1.00 0.00 C ATOM 235 CG GLU A 704 9.575 -5.486 2.576 1.00 0.00 C ATOM 236 CD GLU A 704 9.726 -6.892 3.124 1.00 0.00 C ATOM 237 OE1 GLU A 704 10.876 -7.306 3.384 1.00 0.00 O ATOM 238 OE2 GLU A 704 8.697 -7.578 3.291 1.00 0.00 O ATOM 0 H GLU A 704 9.422 -3.303 2.336 1.00 0.00 H new ATOM 0 HA GLU A 704 9.945 -3.877 -0.423 1.00 0.00 H new ATOM 0 HB2 GLU A 704 9.453 -6.283 0.594 1.00 0.00 H new ATOM 0 HB3 GLU A 704 10.948 -5.434 0.936 1.00 0.00 H new ATOM 0 HG2 GLU A 704 10.247 -4.817 3.113 1.00 0.00 H new ATOM 0 HG3 GLU A 704 8.560 -5.135 2.762 1.00 0.00 H new ATOM 245 N LEU A 705 6.912 -4.280 0.774 1.00 0.00 N ATOM 246 CA LEU A 705 5.521 -4.512 0.402 1.00 0.00 C ATOM 247 C LEU A 705 4.915 -3.270 -0.243 1.00 0.00 C ATOM 248 O LEU A 705 3.856 -3.337 -0.869 1.00 0.00 O ATOM 249 CB LEU A 705 4.704 -4.912 1.632 1.00 0.00 C ATOM 250 CG LEU A 705 3.201 -5.089 1.411 1.00 0.00 C ATOM 251 CD1 LEU A 705 2.929 -6.308 0.542 1.00 0.00 C ATOM 252 CD2 LEU A 705 2.476 -5.209 2.743 1.00 0.00 C ATOM 0 H LEU A 705 7.048 -4.007 1.747 1.00 0.00 H new ATOM 0 HA LEU A 705 5.495 -5.325 -0.324 1.00 0.00 H new ATOM 0 HB2 LEU A 705 5.106 -5.847 2.022 1.00 0.00 H new ATOM 0 HB3 LEU A 705 4.851 -4.155 2.403 1.00 0.00 H new ATOM 0 HG LEU A 705 2.823 -4.207 0.893 1.00 0.00 H new ATOM 0 HD11 LEU A 705 1.854 -6.418 0.396 1.00 0.00 H new ATOM 0 HD12 LEU A 705 3.416 -6.181 -0.425 1.00 0.00 H new ATOM 0 HD13 LEU A 705 3.321 -7.199 1.032 1.00 0.00 H new ATOM 0 HD21 LEU A 705 1.408 -5.334 2.566 1.00 0.00 H new ATOM 0 HD22 LEU A 705 2.857 -6.072 3.288 1.00 0.00 H new ATOM 0 HD23 LEU A 705 2.643 -4.306 3.331 1.00 0.00 H new ATOM 264 N ILE A 706 5.594 -2.138 -0.088 1.00 0.00 N ATOM 265 CA ILE A 706 5.124 -0.881 -0.658 1.00 0.00 C ATOM 266 C ILE A 706 5.097 -0.945 -2.181 1.00 0.00 C ATOM 267 O ILE A 706 6.142 -0.944 -2.832 1.00 0.00 O ATOM 268 CB ILE A 706 6.008 0.301 -0.220 1.00 0.00 C ATOM 269 CG1 ILE A 706 5.742 0.650 1.246 1.00 0.00 C ATOM 270 CG2 ILE A 706 5.757 1.508 -1.111 1.00 0.00 C ATOM 271 CD1 ILE A 706 5.432 -0.555 2.107 1.00 0.00 C ATOM 0 H ILE A 706 6.471 -2.066 0.427 1.00 0.00 H new ATOM 0 HA ILE A 706 4.112 -0.724 -0.285 1.00 0.00 H new ATOM 0 HB ILE A 706 7.054 0.010 -0.321 1.00 0.00 H new ATOM 0 HG12 ILE A 706 6.613 1.163 1.653 1.00 0.00 H new ATOM 0 HG13 ILE A 706 4.907 1.349 1.299 1.00 0.00 H new ATOM 0 HG21 ILE A 706 6.389 2.336 -0.789 1.00 0.00 H new ATOM 0 HG22 ILE A 706 5.992 1.253 -2.144 1.00 0.00 H new ATOM 0 HG23 ILE A 706 4.710 1.802 -1.039 1.00 0.00 H new ATOM 0 HD11 ILE A 706 5.254 -0.233 3.133 1.00 0.00 H new ATOM 0 HD12 ILE A 706 4.543 -1.056 1.725 1.00 0.00 H new ATOM 0 HD13 ILE A 706 6.275 -1.245 2.084 1.00 0.00 H new ATOM 283 N GLY A 707 3.894 -0.999 -2.746 1.00 0.00 N ATOM 284 CA GLY A 707 3.754 -1.060 -4.189 1.00 0.00 C ATOM 285 C GLY A 707 3.072 -2.333 -4.651 1.00 0.00 C ATOM 286 O GLY A 707 2.635 -2.427 -5.797 1.00 0.00 O ATOM 0 H GLY A 707 3.014 -1.002 -2.230 1.00 0.00 H new ATOM 0 HA2 GLY A 707 3.181 -0.199 -4.532 1.00 0.00 H new ATOM 0 HA3 GLY A 707 4.739 -0.991 -4.650 1.00 0.00 H new ATOM 290 N GLN A 708 2.984 -3.313 -3.758 1.00 0.00 N ATOM 291 CA GLN A 708 2.354 -4.587 -4.083 1.00 0.00 C ATOM 292 C GLN A 708 0.838 -4.438 -4.169 1.00 0.00 C ATOM 293 O GLN A 708 0.270 -3.464 -3.673 1.00 0.00 O ATOM 294 CB GLN A 708 2.715 -5.641 -3.035 1.00 0.00 C ATOM 295 CG GLN A 708 4.213 -5.833 -2.857 1.00 0.00 C ATOM 296 CD GLN A 708 4.969 -5.770 -4.169 1.00 0.00 C ATOM 297 OE1 GLN A 708 4.547 -6.348 -5.171 1.00 0.00 O ATOM 298 NE2 GLN A 708 6.095 -5.065 -4.170 1.00 0.00 N ATOM 0 H GLN A 708 3.341 -3.249 -2.805 1.00 0.00 H new ATOM 0 HA GLN A 708 2.726 -4.909 -5.056 1.00 0.00 H new ATOM 0 HB2 GLN A 708 2.277 -5.355 -2.078 1.00 0.00 H new ATOM 0 HB3 GLN A 708 2.266 -6.593 -3.319 1.00 0.00 H new ATOM 0 HG2 GLN A 708 4.596 -5.066 -2.184 1.00 0.00 H new ATOM 0 HG3 GLN A 708 4.398 -6.796 -2.381 1.00 0.00 H new ATOM 0 HE21 GLN A 708 6.408 -4.602 -3.317 1.00 0.00 H new ATOM 0 HE22 GLN A 708 6.647 -4.987 -5.024 1.00 0.00 H new ATOM 307 N THR A 709 0.188 -5.408 -4.803 1.00 0.00 N ATOM 308 CA THR A 709 -1.261 -5.384 -4.956 1.00 0.00 C ATOM 309 C THR A 709 -1.942 -6.220 -3.878 1.00 0.00 C ATOM 310 O THR A 709 -1.855 -7.448 -3.882 1.00 0.00 O ATOM 311 CB THR A 709 -1.689 -5.907 -6.340 1.00 0.00 C ATOM 312 OG1 THR A 709 -1.151 -5.068 -7.369 1.00 0.00 O ATOM 313 CG2 THR A 709 -3.205 -5.954 -6.457 1.00 0.00 C ATOM 0 H THR A 709 0.642 -6.221 -5.219 1.00 0.00 H new ATOM 0 HA THR A 709 -1.571 -4.344 -4.856 1.00 0.00 H new ATOM 0 HB THR A 709 -1.301 -6.919 -6.457 1.00 0.00 H new ATOM 0 HG1 THR A 709 -1.426 -5.408 -8.246 1.00 0.00 H new ATOM 0 HG21 THR A 709 -3.482 -6.327 -7.443 1.00 0.00 H new ATOM 0 HG22 THR A 709 -3.609 -6.617 -5.692 1.00 0.00 H new ATOM 0 HG23 THR A 709 -3.612 -4.952 -6.320 1.00 0.00 H new ATOM 321 N VAL A 710 -2.620 -5.546 -2.954 1.00 0.00 N ATOM 322 CA VAL A 710 -3.318 -6.227 -1.870 1.00 0.00 C ATOM 323 C VAL A 710 -4.827 -6.044 -1.987 1.00 0.00 C ATOM 324 O VAL A 710 -5.301 -5.084 -2.595 1.00 0.00 O ATOM 325 CB VAL A 710 -2.855 -5.712 -0.494 1.00 0.00 C ATOM 326 CG1 VAL A 710 -1.369 -5.974 -0.298 1.00 0.00 C ATOM 327 CG2 VAL A 710 -3.166 -4.230 -0.348 1.00 0.00 C ATOM 0 H VAL A 710 -2.701 -4.529 -2.935 1.00 0.00 H new ATOM 0 HA VAL A 710 -3.076 -7.286 -1.954 1.00 0.00 H new ATOM 0 HB VAL A 710 -3.401 -6.253 0.279 1.00 0.00 H new ATOM 0 HG11 VAL A 710 -1.060 -5.603 0.679 1.00 0.00 H new ATOM 0 HG12 VAL A 710 -1.178 -7.045 -0.357 1.00 0.00 H new ATOM 0 HG13 VAL A 710 -0.803 -5.461 -1.076 1.00 0.00 H new ATOM 0 HG21 VAL A 710 -2.832 -3.883 0.630 1.00 0.00 H new ATOM 0 HG22 VAL A 710 -2.648 -3.671 -1.128 1.00 0.00 H new ATOM 0 HG23 VAL A 710 -4.241 -4.073 -0.441 1.00 0.00 H new ATOM 337 N ARG A 711 -5.577 -6.971 -1.400 1.00 0.00 N ATOM 338 CA ARG A 711 -7.033 -6.912 -1.439 1.00 0.00 C ATOM 339 C ARG A 711 -7.616 -6.929 -0.029 1.00 0.00 C ATOM 340 O ARG A 711 -7.444 -7.897 0.713 1.00 0.00 O ATOM 341 CB ARG A 711 -7.590 -8.086 -2.247 1.00 0.00 C ATOM 342 CG ARG A 711 -9.105 -8.197 -2.194 1.00 0.00 C ATOM 343 CD ARG A 711 -9.566 -9.633 -2.388 1.00 0.00 C ATOM 344 NE ARG A 711 -9.670 -10.351 -1.120 1.00 0.00 N ATOM 345 CZ ARG A 711 -10.112 -11.599 -1.016 1.00 0.00 C ATOM 346 NH1 ARG A 711 -10.488 -12.265 -2.099 1.00 0.00 N ATOM 347 NH2 ARG A 711 -10.177 -12.184 0.173 1.00 0.00 N ATOM 0 H ARG A 711 -5.200 -7.771 -0.892 1.00 0.00 H new ATOM 0 HA ARG A 711 -7.321 -5.978 -1.921 1.00 0.00 H new ATOM 0 HB2 ARG A 711 -7.278 -7.982 -3.286 1.00 0.00 H new ATOM 0 HB3 ARG A 711 -7.153 -9.012 -1.874 1.00 0.00 H new ATOM 0 HG2 ARG A 711 -9.465 -7.825 -1.235 1.00 0.00 H new ATOM 0 HG3 ARG A 711 -9.544 -7.565 -2.966 1.00 0.00 H new ATOM 0 HD2 ARG A 711 -10.535 -9.638 -2.888 1.00 0.00 H new ATOM 0 HD3 ARG A 711 -8.867 -10.153 -3.043 1.00 0.00 H new ATOM 0 HE ARG A 711 -9.388 -9.867 -0.268 1.00 0.00 H new ATOM 0 HH11 ARG A 711 -10.438 -11.819 -3.015 1.00 0.00 H new ATOM 0 HH12 ARG A 711 -10.827 -13.223 -2.016 1.00 0.00 H new ATOM 0 HH21 ARG A 711 -9.887 -11.675 1.008 1.00 0.00 H new ATOM 0 HH22 ARG A 711 -10.517 -13.143 0.252 1.00 0.00 H new ATOM 361 N ILE A 712 -8.305 -5.853 0.334 1.00 0.00 N ATOM 362 CA ILE A 712 -8.913 -5.745 1.655 1.00 0.00 C ATOM 363 C ILE A 712 -9.932 -6.856 1.883 1.00 0.00 C ATOM 364 O ILE A 712 -10.644 -7.258 0.963 1.00 0.00 O ATOM 365 CB ILE A 712 -9.605 -4.382 1.846 1.00 0.00 C ATOM 366 CG1 ILE A 712 -8.573 -3.252 1.811 1.00 0.00 C ATOM 367 CG2 ILE A 712 -10.378 -4.360 3.156 1.00 0.00 C ATOM 368 CD1 ILE A 712 -9.131 -1.940 1.306 1.00 0.00 C ATOM 0 H ILE A 712 -8.456 -5.043 -0.268 1.00 0.00 H new ATOM 0 HA ILE A 712 -8.107 -5.839 2.383 1.00 0.00 H new ATOM 0 HB ILE A 712 -10.309 -4.231 1.028 1.00 0.00 H new ATOM 0 HG12 ILE A 712 -8.173 -3.105 2.814 1.00 0.00 H new ATOM 0 HG13 ILE A 712 -7.739 -3.552 1.176 1.00 0.00 H new ATOM 0 HG21 ILE A 712 -10.861 -3.391 3.277 1.00 0.00 H new ATOM 0 HG22 ILE A 712 -11.135 -5.144 3.145 1.00 0.00 H new ATOM 0 HG23 ILE A 712 -9.692 -4.529 3.986 1.00 0.00 H new ATOM 0 HD11 ILE A 712 -8.345 -1.185 1.308 1.00 0.00 H new ATOM 0 HD12 ILE A 712 -9.506 -2.071 0.291 1.00 0.00 H new ATOM 0 HD13 ILE A 712 -9.945 -1.617 1.955 1.00 0.00 H new ATOM 380 N SER A 713 -9.997 -7.347 3.117 1.00 0.00 N ATOM 381 CA SER A 713 -10.927 -8.414 3.467 1.00 0.00 C ATOM 382 C SER A 713 -11.964 -7.922 4.471 1.00 0.00 C ATOM 383 O SER A 713 -13.122 -8.339 4.439 1.00 0.00 O ATOM 384 CB SER A 713 -10.170 -9.611 4.043 1.00 0.00 C ATOM 385 OG SER A 713 -11.063 -10.643 4.427 1.00 0.00 O ATOM 0 H SER A 713 -9.417 -7.023 3.891 1.00 0.00 H new ATOM 0 HA SER A 713 -11.444 -8.724 2.559 1.00 0.00 H new ATOM 0 HB2 SER A 713 -9.467 -9.991 3.302 1.00 0.00 H new ATOM 0 HB3 SER A 713 -9.584 -9.294 4.905 1.00 0.00 H new ATOM 0 HG SER A 713 -10.554 -11.397 4.791 1.00 0.00 H new ATOM 391 N GLN A 714 -11.540 -7.032 5.363 1.00 0.00 N ATOM 392 CA GLN A 714 -12.432 -6.483 6.378 1.00 0.00 C ATOM 393 C GLN A 714 -12.668 -4.994 6.147 1.00 0.00 C ATOM 394 O GLN A 714 -12.136 -4.409 5.204 1.00 0.00 O ATOM 395 CB GLN A 714 -11.850 -6.709 7.774 1.00 0.00 C ATOM 396 CG GLN A 714 -11.613 -8.174 8.104 1.00 0.00 C ATOM 397 CD GLN A 714 -12.821 -8.831 8.743 1.00 0.00 C ATOM 398 OE1 GLN A 714 -13.498 -8.232 9.580 1.00 0.00 O ATOM 399 NE2 GLN A 714 -13.100 -10.068 8.350 1.00 0.00 N ATOM 0 H GLN A 714 -10.585 -6.676 5.403 1.00 0.00 H new ATOM 0 HA GLN A 714 -13.389 -7.000 6.303 1.00 0.00 H new ATOM 0 HB2 GLN A 714 -10.907 -6.169 7.857 1.00 0.00 H new ATOM 0 HB3 GLN A 714 -12.527 -6.283 8.514 1.00 0.00 H new ATOM 0 HG2 GLN A 714 -11.352 -8.711 7.192 1.00 0.00 H new ATOM 0 HG3 GLN A 714 -10.760 -8.257 8.777 1.00 0.00 H new ATOM 0 HE21 GLN A 714 -12.512 -10.527 7.654 1.00 0.00 H new ATOM 0 HE22 GLN A 714 -13.902 -10.560 8.744 1.00 0.00 H new ATOM 408 N GLY A 715 -13.470 -4.385 7.016 1.00 0.00 N ATOM 409 CA GLY A 715 -13.763 -2.970 6.889 1.00 0.00 C ATOM 410 C GLY A 715 -14.796 -2.685 5.818 1.00 0.00 C ATOM 411 O GLY A 715 -15.264 -3.586 5.121 1.00 0.00 O ATOM 0 H GLY A 715 -13.922 -4.847 7.805 1.00 0.00 H new ATOM 0 HA2 GLY A 715 -14.121 -2.589 7.845 1.00 0.00 H new ATOM 0 HA3 GLY A 715 -12.844 -2.432 6.656 1.00 0.00 H new ATOM 415 N PRO A 716 -15.170 -1.405 5.676 1.00 0.00 N ATOM 416 CA PRO A 716 -16.161 -0.974 4.685 1.00 0.00 C ATOM 417 C PRO A 716 -15.636 -1.081 3.257 1.00 0.00 C ATOM 418 O PRO A 716 -16.329 -0.728 2.303 1.00 0.00 O ATOM 419 CB PRO A 716 -16.417 0.489 5.052 1.00 0.00 C ATOM 420 CG PRO A 716 -15.173 0.930 5.744 1.00 0.00 C ATOM 421 CD PRO A 716 -14.655 -0.279 6.473 1.00 0.00 C ATOM 0 HA PRO A 716 -17.056 -1.596 4.707 1.00 0.00 H new ATOM 0 HB2 PRO A 716 -16.611 1.091 4.165 1.00 0.00 H new ATOM 0 HB3 PRO A 716 -17.287 0.588 5.701 1.00 0.00 H new ATOM 0 HG2 PRO A 716 -14.438 1.299 5.029 1.00 0.00 H new ATOM 0 HG3 PRO A 716 -15.380 1.745 6.437 1.00 0.00 H new ATOM 0 HD2 PRO A 716 -13.566 -0.284 6.519 1.00 0.00 H new ATOM 0 HD3 PRO A 716 -15.018 -0.315 7.500 1.00 0.00 H new ATOM 429 N TYR A 717 -14.408 -1.570 3.118 1.00 0.00 N ATOM 430 CA TYR A 717 -13.790 -1.721 1.806 1.00 0.00 C ATOM 431 C TYR A 717 -13.429 -3.179 1.540 1.00 0.00 C ATOM 432 O TYR A 717 -12.411 -3.475 0.912 1.00 0.00 O ATOM 433 CB TYR A 717 -12.539 -0.847 1.705 1.00 0.00 C ATOM 434 CG TYR A 717 -12.806 0.622 1.941 1.00 0.00 C ATOM 435 CD1 TYR A 717 -13.175 1.458 0.894 1.00 0.00 C ATOM 436 CD2 TYR A 717 -12.691 1.174 3.211 1.00 0.00 C ATOM 437 CE1 TYR A 717 -13.419 2.802 1.105 1.00 0.00 C ATOM 438 CE2 TYR A 717 -12.934 2.516 3.431 1.00 0.00 C ATOM 439 CZ TYR A 717 -13.298 3.326 2.375 1.00 0.00 C ATOM 440 OH TYR A 717 -13.542 4.663 2.590 1.00 0.00 O ATOM 0 H TYR A 717 -13.822 -1.868 3.897 1.00 0.00 H new ATOM 0 HA TYR A 717 -14.510 -1.400 1.053 1.00 0.00 H new ATOM 0 HB2 TYR A 717 -11.803 -1.195 2.430 1.00 0.00 H new ATOM 0 HB3 TYR A 717 -12.097 -0.973 0.717 1.00 0.00 H new ATOM 0 HD1 TYR A 717 -13.273 1.051 -0.101 1.00 0.00 H new ATOM 0 HD2 TYR A 717 -12.407 0.543 4.040 1.00 0.00 H new ATOM 0 HE1 TYR A 717 -13.703 3.438 0.280 1.00 0.00 H new ATOM 0 HE2 TYR A 717 -12.840 2.929 4.424 1.00 0.00 H new ATOM 0 HH TYR A 717 -13.414 4.870 3.539 1.00 0.00 H new ATOM 450 N LYS A 718 -14.270 -4.088 2.020 1.00 0.00 N ATOM 451 CA LYS A 718 -14.043 -5.516 1.834 1.00 0.00 C ATOM 452 C LYS A 718 -14.183 -5.902 0.365 1.00 0.00 C ATOM 453 O LYS A 718 -15.074 -5.419 -0.332 1.00 0.00 O ATOM 454 CB LYS A 718 -15.028 -6.325 2.681 1.00 0.00 C ATOM 455 CG LYS A 718 -15.082 -7.797 2.311 1.00 0.00 C ATOM 456 CD LYS A 718 -15.841 -8.606 3.350 1.00 0.00 C ATOM 457 CE LYS A 718 -15.558 -10.094 3.214 1.00 0.00 C ATOM 458 NZ LYS A 718 -16.009 -10.856 4.411 1.00 0.00 N ATOM 0 H LYS A 718 -15.117 -3.861 2.542 1.00 0.00 H new ATOM 0 HA LYS A 718 -13.026 -5.742 2.156 1.00 0.00 H new ATOM 0 HB2 LYS A 718 -14.752 -6.233 3.731 1.00 0.00 H new ATOM 0 HB3 LYS A 718 -16.024 -5.895 2.574 1.00 0.00 H new ATOM 0 HG2 LYS A 718 -15.561 -7.911 1.339 1.00 0.00 H new ATOM 0 HG3 LYS A 718 -14.068 -8.186 2.215 1.00 0.00 H new ATOM 0 HD2 LYS A 718 -15.561 -8.271 4.349 1.00 0.00 H new ATOM 0 HD3 LYS A 718 -16.911 -8.427 3.242 1.00 0.00 H new ATOM 0 HE2 LYS A 718 -16.061 -10.480 2.327 1.00 0.00 H new ATOM 0 HE3 LYS A 718 -14.489 -10.248 3.067 1.00 0.00 H new ATOM 0 HZ1 LYS A 718 -15.798 -11.866 4.279 1.00 0.00 H new ATOM 0 HZ2 LYS A 718 -15.511 -10.505 5.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 718 -17.034 -10.730 4.537 1.00 0.00 H new ATOM 472 N GLY A 719 -13.296 -6.777 -0.100 1.00 0.00 N ATOM 473 CA GLY A 719 -13.340 -7.214 -1.483 1.00 0.00 C ATOM 474 C GLY A 719 -12.898 -6.131 -2.447 1.00 0.00 C ATOM 475 O GLY A 719 -13.396 -6.048 -3.570 1.00 0.00 O ATOM 0 H GLY A 719 -12.548 -7.191 0.457 1.00 0.00 H new ATOM 0 HA2 GLY A 719 -12.700 -8.088 -1.605 1.00 0.00 H new ATOM 0 HA3 GLY A 719 -14.355 -7.525 -1.731 1.00 0.00 H new ATOM 479 N TYR A 720 -11.961 -5.297 -2.008 1.00 0.00 N ATOM 480 CA TYR A 720 -11.455 -4.211 -2.839 1.00 0.00 C ATOM 481 C TYR A 720 -9.958 -4.365 -3.085 1.00 0.00 C ATOM 482 O TYR A 720 -9.260 -5.043 -2.329 1.00 0.00 O ATOM 483 CB TYR A 720 -11.738 -2.861 -2.178 1.00 0.00 C ATOM 484 CG TYR A 720 -13.097 -2.292 -2.520 1.00 0.00 C ATOM 485 CD1 TYR A 720 -14.261 -2.977 -2.194 1.00 0.00 C ATOM 486 CD2 TYR A 720 -13.216 -1.068 -3.167 1.00 0.00 C ATOM 487 CE1 TYR A 720 -15.504 -2.462 -2.506 1.00 0.00 C ATOM 488 CE2 TYR A 720 -14.456 -0.544 -3.481 1.00 0.00 C ATOM 489 CZ TYR A 720 -15.596 -1.245 -3.149 1.00 0.00 C ATOM 490 OH TYR A 720 -16.833 -0.727 -3.459 1.00 0.00 O ATOM 0 H TYR A 720 -11.537 -5.352 -1.082 1.00 0.00 H new ATOM 0 HA TYR A 720 -11.969 -4.253 -3.799 1.00 0.00 H new ATOM 0 HB2 TYR A 720 -11.662 -2.973 -1.096 1.00 0.00 H new ATOM 0 HB3 TYR A 720 -10.969 -2.150 -2.480 1.00 0.00 H new ATOM 0 HD1 TYR A 720 -14.193 -3.929 -1.688 1.00 0.00 H new ATOM 0 HD2 TYR A 720 -12.325 -0.517 -3.429 1.00 0.00 H new ATOM 0 HE1 TYR A 720 -16.399 -3.009 -2.248 1.00 0.00 H new ATOM 0 HE2 TYR A 720 -14.531 0.409 -3.983 1.00 0.00 H new ATOM 0 HH TYR A 720 -16.723 0.137 -3.909 1.00 0.00 H new ATOM 500 N ILE A 721 -9.471 -3.732 -4.146 1.00 0.00 N ATOM 501 CA ILE A 721 -8.056 -3.797 -4.492 1.00 0.00 C ATOM 502 C ILE A 721 -7.359 -2.471 -4.207 1.00 0.00 C ATOM 503 O ILE A 721 -7.960 -1.404 -4.324 1.00 0.00 O ATOM 504 CB ILE A 721 -7.854 -4.162 -5.974 1.00 0.00 C ATOM 505 CG1 ILE A 721 -8.673 -5.404 -6.332 1.00 0.00 C ATOM 506 CG2 ILE A 721 -6.379 -4.390 -6.268 1.00 0.00 C ATOM 507 CD1 ILE A 721 -8.186 -6.665 -5.653 1.00 0.00 C ATOM 0 H ILE A 721 -10.035 -3.168 -4.782 1.00 0.00 H new ATOM 0 HA ILE A 721 -7.616 -4.577 -3.871 1.00 0.00 H new ATOM 0 HB ILE A 721 -8.202 -3.331 -6.588 1.00 0.00 H new ATOM 0 HG12 ILE A 721 -9.715 -5.233 -6.060 1.00 0.00 H new ATOM 0 HG13 ILE A 721 -8.645 -5.549 -7.412 1.00 0.00 H new ATOM 0 HG21 ILE A 721 -6.253 -4.647 -7.320 1.00 0.00 H new ATOM 0 HG22 ILE A 721 -5.819 -3.481 -6.047 1.00 0.00 H new ATOM 0 HG23 ILE A 721 -6.006 -5.205 -5.648 1.00 0.00 H new ATOM 0 HD11 ILE A 721 -8.813 -7.505 -5.953 1.00 0.00 H new ATOM 0 HD12 ILE A 721 -7.154 -6.860 -5.945 1.00 0.00 H new ATOM 0 HD13 ILE A 721 -8.240 -6.540 -4.572 1.00 0.00 H new ATOM 519 N GLY A 722 -6.085 -2.546 -3.833 1.00 0.00 N ATOM 520 CA GLY A 722 -5.326 -1.344 -3.539 1.00 0.00 C ATOM 521 C GLY A 722 -3.831 -1.590 -3.531 1.00 0.00 C ATOM 522 O GLY A 722 -3.383 -2.733 -3.433 1.00 0.00 O ATOM 0 H GLY A 722 -5.565 -3.417 -3.728 1.00 0.00 H new ATOM 0 HA2 GLY A 722 -5.561 -0.579 -4.279 1.00 0.00 H new ATOM 0 HA3 GLY A 722 -5.632 -0.953 -2.569 1.00 0.00 H new ATOM 526 N VAL A 723 -3.055 -0.516 -3.637 1.00 0.00 N ATOM 527 CA VAL A 723 -1.601 -0.621 -3.642 1.00 0.00 C ATOM 528 C VAL A 723 -1.010 -0.139 -2.322 1.00 0.00 C ATOM 529 O VAL A 723 -1.333 0.949 -1.845 1.00 0.00 O ATOM 530 CB VAL A 723 -0.984 0.193 -4.795 1.00 0.00 C ATOM 531 CG1 VAL A 723 0.512 0.369 -4.584 1.00 0.00 C ATOM 532 CG2 VAL A 723 -1.267 -0.477 -6.131 1.00 0.00 C ATOM 0 H VAL A 723 -3.409 0.437 -3.721 1.00 0.00 H new ATOM 0 HA VAL A 723 -1.360 -1.675 -3.781 1.00 0.00 H new ATOM 0 HB VAL A 723 -1.444 1.181 -4.805 1.00 0.00 H new ATOM 0 HG11 VAL A 723 0.930 0.946 -5.408 1.00 0.00 H new ATOM 0 HG12 VAL A 723 0.688 0.896 -3.646 1.00 0.00 H new ATOM 0 HG13 VAL A 723 0.992 -0.609 -4.546 1.00 0.00 H new ATOM 0 HG21 VAL A 723 -0.824 0.112 -6.934 1.00 0.00 H new ATOM 0 HG22 VAL A 723 -0.836 -1.478 -6.134 1.00 0.00 H new ATOM 0 HG23 VAL A 723 -2.344 -0.545 -6.283 1.00 0.00 H new ATOM 542 N VAL A 724 -0.142 -0.957 -1.735 1.00 0.00 N ATOM 543 CA VAL A 724 0.496 -0.614 -0.469 1.00 0.00 C ATOM 544 C VAL A 724 1.431 0.580 -0.631 1.00 0.00 C ATOM 545 O VAL A 724 2.499 0.469 -1.232 1.00 0.00 O ATOM 546 CB VAL A 724 1.294 -1.804 0.097 1.00 0.00 C ATOM 547 CG1 VAL A 724 1.857 -1.464 1.469 1.00 0.00 C ATOM 548 CG2 VAL A 724 0.421 -3.047 0.163 1.00 0.00 C ATOM 0 H VAL A 724 0.136 -1.862 -2.116 1.00 0.00 H new ATOM 0 HA VAL A 724 -0.301 -0.356 0.228 1.00 0.00 H new ATOM 0 HB VAL A 724 2.130 -2.010 -0.572 1.00 0.00 H new ATOM 0 HG11 VAL A 724 2.418 -2.316 1.854 1.00 0.00 H new ATOM 0 HG12 VAL A 724 2.518 -0.601 1.387 1.00 0.00 H new ATOM 0 HG13 VAL A 724 1.039 -1.231 2.150 1.00 0.00 H new ATOM 0 HG21 VAL A 724 1.001 -3.878 0.565 1.00 0.00 H new ATOM 0 HG22 VAL A 724 -0.436 -2.856 0.809 1.00 0.00 H new ATOM 0 HG23 VAL A 724 0.071 -3.300 -0.838 1.00 0.00 H new ATOM 558 N LYS A 725 1.021 1.722 -0.089 1.00 0.00 N ATOM 559 CA LYS A 725 1.821 2.938 -0.170 1.00 0.00 C ATOM 560 C LYS A 725 2.850 2.989 0.955 1.00 0.00 C ATOM 561 O LYS A 725 3.997 3.380 0.743 1.00 0.00 O ATOM 562 CB LYS A 725 0.919 4.172 -0.106 1.00 0.00 C ATOM 563 CG LYS A 725 -0.173 4.183 -1.163 1.00 0.00 C ATOM 564 CD LYS A 725 0.299 4.848 -2.445 1.00 0.00 C ATOM 565 CE LYS A 725 0.930 3.841 -3.395 1.00 0.00 C ATOM 566 NZ LYS A 725 0.855 4.294 -4.812 1.00 0.00 N ATOM 0 H LYS A 725 0.139 1.831 0.411 1.00 0.00 H new ATOM 0 HA LYS A 725 2.350 2.931 -1.123 1.00 0.00 H new ATOM 0 HB2 LYS A 725 0.459 4.224 0.881 1.00 0.00 H new ATOM 0 HB3 LYS A 725 1.532 5.066 -0.220 1.00 0.00 H new ATOM 0 HG2 LYS A 725 -0.485 3.161 -1.376 1.00 0.00 H new ATOM 0 HG3 LYS A 725 -1.047 4.710 -0.779 1.00 0.00 H new ATOM 0 HD2 LYS A 725 -0.544 5.334 -2.936 1.00 0.00 H new ATOM 0 HD3 LYS A 725 1.022 5.628 -2.207 1.00 0.00 H new ATOM 0 HE2 LYS A 725 1.973 3.684 -3.118 1.00 0.00 H new ATOM 0 HE3 LYS A 725 0.425 2.880 -3.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 725 1.295 3.581 -5.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 725 -0.141 4.419 -5.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 725 1.358 5.198 -4.914 1.00 0.00 H new ATOM 580 N ASP A 726 2.431 2.589 2.151 1.00 0.00 N ATOM 581 CA ASP A 726 3.317 2.586 3.309 1.00 0.00 C ATOM 582 C ASP A 726 3.039 1.382 4.204 1.00 0.00 C ATOM 583 O ASP A 726 1.917 0.879 4.253 1.00 0.00 O ATOM 584 CB ASP A 726 3.151 3.880 4.108 1.00 0.00 C ATOM 585 CG ASP A 726 4.412 4.265 4.856 1.00 0.00 C ATOM 586 OD1 ASP A 726 5.247 4.990 4.275 1.00 0.00 O ATOM 587 OD2 ASP A 726 4.565 3.841 6.021 1.00 0.00 O ATOM 0 H ASP A 726 1.484 2.263 2.344 1.00 0.00 H new ATOM 0 HA ASP A 726 4.344 2.519 2.949 1.00 0.00 H new ATOM 0 HB2 ASP A 726 2.873 4.688 3.431 1.00 0.00 H new ATOM 0 HB3 ASP A 726 2.332 3.762 4.818 1.00 0.00 H new ATOM 592 N ALA A 727 4.069 0.924 4.908 1.00 0.00 N ATOM 593 CA ALA A 727 3.935 -0.220 5.801 1.00 0.00 C ATOM 594 C ALA A 727 4.081 0.201 7.259 1.00 0.00 C ATOM 595 O ALA A 727 5.135 0.682 7.675 1.00 0.00 O ATOM 596 CB ALA A 727 4.964 -1.285 5.452 1.00 0.00 C ATOM 0 H ALA A 727 5.005 1.328 4.877 1.00 0.00 H new ATOM 0 HA ALA A 727 2.937 -0.637 5.669 1.00 0.00 H new ATOM 0 HB1 ALA A 727 4.853 -2.134 6.127 1.00 0.00 H new ATOM 0 HB2 ALA A 727 4.811 -1.616 4.425 1.00 0.00 H new ATOM 0 HB3 ALA A 727 5.967 -0.870 5.554 1.00 0.00 H new ATOM 602 N THR A 728 3.015 0.019 8.032 1.00 0.00 N ATOM 603 CA THR A 728 3.023 0.382 9.444 1.00 0.00 C ATOM 604 C THR A 728 3.159 -0.852 10.328 1.00 0.00 C ATOM 605 O THR A 728 2.862 -1.968 9.902 1.00 0.00 O ATOM 606 CB THR A 728 1.743 1.142 9.836 1.00 0.00 C ATOM 607 OG1 THR A 728 1.247 1.879 8.713 1.00 0.00 O ATOM 608 CG2 THR A 728 2.011 2.093 10.993 1.00 0.00 C ATOM 0 H THR A 728 2.135 -0.378 7.704 1.00 0.00 H new ATOM 0 HA THR A 728 3.884 1.032 9.598 1.00 0.00 H new ATOM 0 HB THR A 728 0.996 0.413 10.150 1.00 0.00 H new ATOM 0 HG1 THR A 728 0.432 2.358 8.970 1.00 0.00 H new ATOM 0 HG21 THR A 728 1.092 2.619 11.252 1.00 0.00 H new ATOM 0 HG22 THR A 728 2.361 1.527 11.856 1.00 0.00 H new ATOM 0 HG23 THR A 728 2.773 2.816 10.701 1.00 0.00 H new ATOM 616 N GLU A 729 3.608 -0.644 11.562 1.00 0.00 N ATOM 617 CA GLU A 729 3.782 -1.742 12.506 1.00 0.00 C ATOM 618 C GLU A 729 2.526 -2.605 12.574 1.00 0.00 C ATOM 619 O GLU A 729 2.547 -3.780 12.208 1.00 0.00 O ATOM 620 CB GLU A 729 4.118 -1.199 13.897 1.00 0.00 C ATOM 621 CG GLU A 729 4.490 -2.280 14.898 1.00 0.00 C ATOM 622 CD GLU A 729 5.396 -3.340 14.303 1.00 0.00 C ATOM 623 OE1 GLU A 729 4.899 -4.171 13.514 1.00 0.00 O ATOM 624 OE2 GLU A 729 6.602 -3.338 14.626 1.00 0.00 O ATOM 0 H GLU A 729 3.858 0.274 11.931 1.00 0.00 H new ATOM 0 HA GLU A 729 4.608 -2.361 12.156 1.00 0.00 H new ATOM 0 HB2 GLU A 729 4.945 -0.494 13.813 1.00 0.00 H new ATOM 0 HB3 GLU A 729 3.261 -0.642 14.277 1.00 0.00 H new ATOM 0 HG2 GLU A 729 4.986 -1.822 15.754 1.00 0.00 H new ATOM 0 HG3 GLU A 729 3.581 -2.752 15.271 1.00 0.00 H new ATOM 631 N SER A 730 1.433 -2.014 13.047 1.00 0.00 N ATOM 632 CA SER A 730 0.168 -2.729 13.168 1.00 0.00 C ATOM 633 C SER A 730 -0.842 -2.223 12.143 1.00 0.00 C ATOM 634 O SER A 730 -2.053 -2.345 12.334 1.00 0.00 O ATOM 635 CB SER A 730 -0.398 -2.572 14.580 1.00 0.00 C ATOM 636 OG SER A 730 0.516 -3.051 15.552 1.00 0.00 O ATOM 0 H SER A 730 1.398 -1.042 13.353 1.00 0.00 H new ATOM 0 HA SER A 730 0.356 -3.785 12.976 1.00 0.00 H new ATOM 0 HB2 SER A 730 -0.620 -1.522 14.771 1.00 0.00 H new ATOM 0 HB3 SER A 730 -1.339 -3.117 14.661 1.00 0.00 H new ATOM 0 HG SER A 730 0.132 -2.938 16.446 1.00 0.00 H new ATOM 642 N THR A 731 -0.337 -1.651 11.054 1.00 0.00 N ATOM 643 CA THR A 731 -1.193 -1.125 9.999 1.00 0.00 C ATOM 644 C THR A 731 -0.427 -0.980 8.690 1.00 0.00 C ATOM 645 O THR A 731 0.788 -1.172 8.646 1.00 0.00 O ATOM 646 CB THR A 731 -1.786 0.243 10.388 1.00 0.00 C ATOM 647 OG1 THR A 731 -0.889 0.936 11.262 1.00 0.00 O ATOM 648 CG2 THR A 731 -3.136 0.073 11.069 1.00 0.00 C ATOM 0 H THR A 731 0.662 -1.540 10.880 1.00 0.00 H new ATOM 0 HA THR A 731 -2.004 -1.840 9.864 1.00 0.00 H new ATOM 0 HB THR A 731 -1.926 0.825 9.477 1.00 0.00 H new ATOM 0 HG1 THR A 731 -1.273 1.805 11.503 1.00 0.00 H new ATOM 0 HG21 THR A 731 -3.535 1.052 11.335 1.00 0.00 H new ATOM 0 HG22 THR A 731 -3.826 -0.428 10.390 1.00 0.00 H new ATOM 0 HG23 THR A 731 -3.015 -0.527 11.971 1.00 0.00 H new ATOM 656 N ALA A 732 -1.144 -0.639 7.624 1.00 0.00 N ATOM 657 CA ALA A 732 -0.530 -0.465 6.314 1.00 0.00 C ATOM 658 C ALA A 732 -1.323 0.521 5.462 1.00 0.00 C ATOM 659 O ALA A 732 -2.508 0.315 5.200 1.00 0.00 O ATOM 660 CB ALA A 732 -0.415 -1.806 5.603 1.00 0.00 C ATOM 0 H ALA A 732 -2.151 -0.478 7.642 1.00 0.00 H new ATOM 0 HA ALA A 732 0.470 -0.056 6.460 1.00 0.00 H new ATOM 0 HB1 ALA A 732 0.045 -1.661 4.626 1.00 0.00 H new ATOM 0 HB2 ALA A 732 0.200 -2.481 6.197 1.00 0.00 H new ATOM 0 HB3 ALA A 732 -1.408 -2.237 5.476 1.00 0.00 H new ATOM 666 N ARG A 733 -0.662 1.591 5.034 1.00 0.00 N ATOM 667 CA ARG A 733 -1.306 2.610 4.214 1.00 0.00 C ATOM 668 C ARG A 733 -1.506 2.111 2.786 1.00 0.00 C ATOM 669 O ARG A 733 -0.568 2.083 1.990 1.00 0.00 O ATOM 670 CB ARG A 733 -0.471 3.892 4.206 1.00 0.00 C ATOM 671 CG ARG A 733 -0.175 4.435 5.594 1.00 0.00 C ATOM 672 CD ARG A 733 -1.412 5.052 6.226 1.00 0.00 C ATOM 673 NE ARG A 733 -1.072 6.091 7.195 1.00 0.00 N ATOM 674 CZ ARG A 733 -0.597 7.284 6.857 1.00 0.00 C ATOM 675 NH1 ARG A 733 -0.409 7.589 5.580 1.00 0.00 N ATOM 676 NH2 ARG A 733 -0.311 8.176 7.796 1.00 0.00 N ATOM 0 H ARG A 733 0.320 1.775 5.241 1.00 0.00 H new ATOM 0 HA ARG A 733 -2.283 2.825 4.646 1.00 0.00 H new ATOM 0 HB2 ARG A 733 0.471 3.699 3.692 1.00 0.00 H new ATOM 0 HB3 ARG A 733 -0.997 4.654 3.631 1.00 0.00 H new ATOM 0 HG2 ARG A 733 0.197 3.631 6.229 1.00 0.00 H new ATOM 0 HG3 ARG A 733 0.615 5.183 5.532 1.00 0.00 H new ATOM 0 HD2 ARG A 733 -2.044 5.477 5.446 1.00 0.00 H new ATOM 0 HD3 ARG A 733 -1.994 4.273 6.719 1.00 0.00 H new ATOM 0 HE ARG A 733 -1.207 5.889 8.186 1.00 0.00 H new ATOM 0 HH11 ARG A 733 -0.629 6.906 4.855 1.00 0.00 H new ATOM 0 HH12 ARG A 733 -0.044 8.506 5.323 1.00 0.00 H new ATOM 0 HH21 ARG A 733 -0.456 7.946 8.779 1.00 0.00 H new ATOM 0 HH22 ARG A 733 0.054 9.092 7.535 1.00 0.00 H new ATOM 690 N VAL A 734 -2.736 1.717 2.469 1.00 0.00 N ATOM 691 CA VAL A 734 -3.060 1.220 1.137 1.00 0.00 C ATOM 692 C VAL A 734 -3.919 2.220 0.372 1.00 0.00 C ATOM 693 O VAL A 734 -4.828 2.830 0.934 1.00 0.00 O ATOM 694 CB VAL A 734 -3.800 -0.129 1.207 1.00 0.00 C ATOM 695 CG1 VAL A 734 -4.086 -0.654 -0.192 1.00 0.00 C ATOM 696 CG2 VAL A 734 -2.992 -1.138 2.009 1.00 0.00 C ATOM 0 H VAL A 734 -3.524 1.733 3.117 1.00 0.00 H new ATOM 0 HA VAL A 734 -2.115 1.081 0.612 1.00 0.00 H new ATOM 0 HB VAL A 734 -4.753 0.024 1.714 1.00 0.00 H new ATOM 0 HG11 VAL A 734 -4.609 -1.608 -0.123 1.00 0.00 H new ATOM 0 HG12 VAL A 734 -4.707 0.062 -0.730 1.00 0.00 H new ATOM 0 HG13 VAL A 734 -3.147 -0.793 -0.727 1.00 0.00 H new ATOM 0 HG21 VAL A 734 -3.529 -2.086 2.048 1.00 0.00 H new ATOM 0 HG22 VAL A 734 -2.023 -1.290 1.533 1.00 0.00 H new ATOM 0 HG23 VAL A 734 -2.843 -0.763 3.022 1.00 0.00 H new ATOM 706 N GLU A 735 -3.625 2.382 -0.915 1.00 0.00 N ATOM 707 CA GLU A 735 -4.372 3.308 -1.758 1.00 0.00 C ATOM 708 C GLU A 735 -5.288 2.554 -2.716 1.00 0.00 C ATOM 709 O GLU A 735 -4.830 1.960 -3.694 1.00 0.00 O ATOM 710 CB GLU A 735 -3.412 4.200 -2.548 1.00 0.00 C ATOM 711 CG GLU A 735 -4.086 4.982 -3.662 1.00 0.00 C ATOM 712 CD GLU A 735 -4.115 4.222 -4.974 1.00 0.00 C ATOM 713 OE1 GLU A 735 -3.352 3.242 -5.108 1.00 0.00 O ATOM 714 OE2 GLU A 735 -4.899 4.607 -5.867 1.00 0.00 O ATOM 0 H GLU A 735 -2.876 1.884 -1.396 1.00 0.00 H new ATOM 0 HA GLU A 735 -4.988 3.933 -1.111 1.00 0.00 H new ATOM 0 HB2 GLU A 735 -2.933 4.899 -1.863 1.00 0.00 H new ATOM 0 HB3 GLU A 735 -2.623 3.581 -2.976 1.00 0.00 H new ATOM 0 HG2 GLU A 735 -5.106 5.225 -3.365 1.00 0.00 H new ATOM 0 HG3 GLU A 735 -3.562 5.927 -3.806 1.00 0.00 H new ATOM 721 N LEU A 736 -6.585 2.581 -2.430 1.00 0.00 N ATOM 722 CA LEU A 736 -7.568 1.899 -3.265 1.00 0.00 C ATOM 723 C LEU A 736 -7.435 2.329 -4.723 1.00 0.00 C ATOM 724 O LEU A 736 -6.907 3.402 -5.019 1.00 0.00 O ATOM 725 CB LEU A 736 -8.983 2.191 -2.763 1.00 0.00 C ATOM 726 CG LEU A 736 -9.443 1.385 -1.548 1.00 0.00 C ATOM 727 CD1 LEU A 736 -10.688 2.007 -0.935 1.00 0.00 C ATOM 728 CD2 LEU A 736 -9.704 -0.063 -1.936 1.00 0.00 C ATOM 0 H LEU A 736 -6.981 3.068 -1.626 1.00 0.00 H new ATOM 0 HA LEU A 736 -7.381 0.827 -3.202 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -9.048 3.251 -2.517 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -9.682 2.010 -3.580 1.00 0.00 H new ATOM 0 HG LEU A 736 -8.648 1.403 -0.802 1.00 0.00 H new ATOM 0 HD11 LEU A 736 -11.001 1.420 -0.072 1.00 0.00 H new ATOM 0 HD12 LEU A 736 -10.468 3.027 -0.620 1.00 0.00 H new ATOM 0 HD13 LEU A 736 -11.489 2.021 -1.674 1.00 0.00 H new ATOM 0 HD21 LEU A 736 -10.030 -0.622 -1.059 1.00 0.00 H new ATOM 0 HD22 LEU A 736 -10.481 -0.101 -2.700 1.00 0.00 H new ATOM 0 HD23 LEU A 736 -8.788 -0.505 -2.328 1.00 0.00 H new ATOM 740 N HIS A 737 -7.918 1.486 -5.630 1.00 0.00 N ATOM 741 CA HIS A 737 -7.856 1.780 -7.057 1.00 0.00 C ATOM 742 C HIS A 737 -9.074 2.583 -7.500 1.00 0.00 C ATOM 743 O HIS A 737 -8.970 3.470 -8.347 1.00 0.00 O ATOM 744 CB HIS A 737 -7.765 0.483 -7.862 1.00 0.00 C ATOM 745 CG HIS A 737 -6.390 -0.111 -7.889 1.00 0.00 C ATOM 746 ND1 HIS A 737 -5.955 -0.957 -8.887 1.00 0.00 N ATOM 747 CD2 HIS A 737 -5.350 0.026 -7.033 1.00 0.00 C ATOM 748 CE1 HIS A 737 -4.708 -1.317 -8.643 1.00 0.00 C ATOM 749 NE2 HIS A 737 -4.317 -0.734 -7.524 1.00 0.00 N ATOM 0 H HIS A 737 -8.357 0.594 -5.402 1.00 0.00 H new ATOM 0 HA HIS A 737 -6.963 2.377 -7.242 1.00 0.00 H new ATOM 0 HB2 HIS A 737 -8.458 -0.245 -7.441 1.00 0.00 H new ATOM 0 HB3 HIS A 737 -8.088 0.677 -8.885 1.00 0.00 H new ATOM 0 HD1 HIS A 737 -6.510 -1.258 -9.688 1.00 0.00 H new ATOM 0 HD2 HIS A 737 -5.336 0.622 -6.132 1.00 0.00 H new ATOM 0 HE1 HIS A 737 -4.110 -1.976 -9.254 1.00 0.00 H new ATOM 757 N SER A 738 -10.228 2.267 -6.922 1.00 0.00 N ATOM 758 CA SER A 738 -11.468 2.956 -7.261 1.00 0.00 C ATOM 759 C SER A 738 -11.488 4.361 -6.665 1.00 0.00 C ATOM 760 O SER A 738 -11.469 5.356 -7.390 1.00 0.00 O ATOM 761 CB SER A 738 -12.673 2.159 -6.758 1.00 0.00 C ATOM 762 OG SER A 738 -12.943 1.055 -7.604 1.00 0.00 O ATOM 0 H SER A 738 -10.331 1.538 -6.216 1.00 0.00 H new ATOM 0 HA SER A 738 -11.524 3.039 -8.346 1.00 0.00 H new ATOM 0 HB2 SER A 738 -12.482 1.806 -5.744 1.00 0.00 H new ATOM 0 HB3 SER A 738 -13.548 2.807 -6.711 1.00 0.00 H new ATOM 0 HG SER A 738 -13.716 0.561 -7.260 1.00 0.00 H new ATOM 768 N THR A 739 -11.528 4.434 -5.338 1.00 0.00 N ATOM 769 CA THR A 739 -11.552 5.714 -4.643 1.00 0.00 C ATOM 770 C THR A 739 -10.229 6.454 -4.808 1.00 0.00 C ATOM 771 O THR A 739 -10.144 7.657 -4.554 1.00 0.00 O ATOM 772 CB THR A 739 -11.843 5.534 -3.142 1.00 0.00 C ATOM 773 OG1 THR A 739 -11.001 4.509 -2.600 1.00 0.00 O ATOM 774 CG2 THR A 739 -13.302 5.172 -2.913 1.00 0.00 C ATOM 0 H THR A 739 -11.544 3.620 -4.723 1.00 0.00 H new ATOM 0 HA THR A 739 -12.353 6.302 -5.092 1.00 0.00 H new ATOM 0 HB THR A 739 -11.637 6.478 -2.638 1.00 0.00 H new ATOM 0 HG1 THR A 739 -11.331 3.631 -2.884 1.00 0.00 H new ATOM 0 HG21 THR A 739 -13.483 5.050 -1.845 1.00 0.00 H new ATOM 0 HG22 THR A 739 -13.939 5.967 -3.301 1.00 0.00 H new ATOM 0 HG23 THR A 739 -13.531 4.239 -3.429 1.00 0.00 H new ATOM 782 N CYS A 740 -9.201 5.730 -5.234 1.00 0.00 N ATOM 783 CA CYS A 740 -7.881 6.319 -5.433 1.00 0.00 C ATOM 784 C CYS A 740 -7.460 7.133 -4.214 1.00 0.00 C ATOM 785 O CYS A 740 -6.909 8.225 -4.346 1.00 0.00 O ATOM 786 CB CYS A 740 -7.878 7.205 -6.679 1.00 0.00 C ATOM 787 SG CYS A 740 -7.488 6.325 -8.210 1.00 0.00 S ATOM 0 H CYS A 740 -9.255 4.734 -5.448 1.00 0.00 H new ATOM 0 HA CYS A 740 -7.165 5.509 -5.571 1.00 0.00 H new ATOM 0 HB2 CYS A 740 -8.857 7.673 -6.781 1.00 0.00 H new ATOM 0 HB3 CYS A 740 -7.154 8.008 -6.539 1.00 0.00 H new ATOM 0 HG CYS A 740 -8.137 5.199 -8.241 1.00 0.00 H new ATOM 793 N GLN A 741 -7.724 6.593 -3.028 1.00 0.00 N ATOM 794 CA GLN A 741 -7.375 7.271 -1.786 1.00 0.00 C ATOM 795 C GLN A 741 -6.598 6.342 -0.858 1.00 0.00 C ATOM 796 O GLN A 741 -6.803 5.127 -0.864 1.00 0.00 O ATOM 797 CB GLN A 741 -8.636 7.775 -1.082 1.00 0.00 C ATOM 798 CG GLN A 741 -9.665 6.686 -0.825 1.00 0.00 C ATOM 799 CD GLN A 741 -9.472 6.006 0.516 1.00 0.00 C ATOM 800 OE1 GLN A 741 -9.663 6.617 1.568 1.00 0.00 O ATOM 801 NE2 GLN A 741 -9.093 4.734 0.486 1.00 0.00 N ATOM 0 H GLN A 741 -8.178 5.688 -2.902 1.00 0.00 H new ATOM 0 HA GLN A 741 -6.741 8.122 -2.033 1.00 0.00 H new ATOM 0 HB2 GLN A 741 -8.355 8.229 -0.132 1.00 0.00 H new ATOM 0 HB3 GLN A 741 -9.092 8.558 -1.687 1.00 0.00 H new ATOM 0 HG2 GLN A 741 -10.665 7.118 -0.868 1.00 0.00 H new ATOM 0 HG3 GLN A 741 -9.605 5.941 -1.618 1.00 0.00 H new ATOM 0 HE21 GLN A 741 -8.946 4.267 -0.409 1.00 0.00 H new ATOM 0 HE22 GLN A 741 -8.949 4.224 1.358 1.00 0.00 H new ATOM 810 N THR A 742 -5.705 6.920 -0.062 1.00 0.00 N ATOM 811 CA THR A 742 -4.896 6.144 0.870 1.00 0.00 C ATOM 812 C THR A 742 -5.613 5.965 2.203 1.00 0.00 C ATOM 813 O THR A 742 -6.318 6.863 2.665 1.00 0.00 O ATOM 814 CB THR A 742 -3.531 6.811 1.120 1.00 0.00 C ATOM 815 OG1 THR A 742 -2.988 7.293 -0.114 1.00 0.00 O ATOM 816 CG2 THR A 742 -2.558 5.831 1.760 1.00 0.00 C ATOM 0 H THR A 742 -5.523 7.924 -0.044 1.00 0.00 H new ATOM 0 HA THR A 742 -4.736 5.168 0.412 1.00 0.00 H new ATOM 0 HB THR A 742 -3.680 7.648 1.802 1.00 0.00 H new ATOM 0 HG1 THR A 742 -2.121 7.717 0.054 1.00 0.00 H new ATOM 0 HG21 THR A 742 -1.601 6.325 1.927 1.00 0.00 H new ATOM 0 HG22 THR A 742 -2.961 5.489 2.713 1.00 0.00 H new ATOM 0 HG23 THR A 742 -2.415 4.976 1.099 1.00 0.00 H new ATOM 824 N ILE A 743 -5.429 4.801 2.818 1.00 0.00 N ATOM 825 CA ILE A 743 -6.057 4.506 4.099 1.00 0.00 C ATOM 826 C ILE A 743 -5.224 3.516 4.905 1.00 0.00 C ATOM 827 O ILE A 743 -4.602 2.612 4.346 1.00 0.00 O ATOM 828 CB ILE A 743 -7.475 3.934 3.913 1.00 0.00 C ATOM 829 CG1 ILE A 743 -7.453 2.773 2.917 1.00 0.00 C ATOM 830 CG2 ILE A 743 -8.428 5.024 3.444 1.00 0.00 C ATOM 831 CD1 ILE A 743 -8.595 1.798 3.101 1.00 0.00 C ATOM 0 H ILE A 743 -4.850 4.047 2.449 1.00 0.00 H new ATOM 0 HA ILE A 743 -6.123 5.449 4.642 1.00 0.00 H new ATOM 0 HB ILE A 743 -7.829 3.558 4.873 1.00 0.00 H new ATOM 0 HG12 ILE A 743 -7.487 3.173 1.904 1.00 0.00 H new ATOM 0 HG13 ILE A 743 -6.509 2.237 3.016 1.00 0.00 H new ATOM 0 HG21 ILE A 743 -9.426 4.605 3.317 1.00 0.00 H new ATOM 0 HG22 ILE A 743 -8.461 5.822 4.186 1.00 0.00 H new ATOM 0 HG23 ILE A 743 -8.080 5.427 2.493 1.00 0.00 H new ATOM 0 HD11 ILE A 743 -8.516 1.001 2.361 1.00 0.00 H new ATOM 0 HD12 ILE A 743 -8.550 1.369 4.102 1.00 0.00 H new ATOM 0 HD13 ILE A 743 -9.543 2.320 2.972 1.00 0.00 H new ATOM 843 N SER A 744 -5.216 3.691 6.223 1.00 0.00 N ATOM 844 CA SER A 744 -4.458 2.814 7.107 1.00 0.00 C ATOM 845 C SER A 744 -5.288 1.599 7.509 1.00 0.00 C ATOM 846 O SER A 744 -6.342 1.730 8.130 1.00 0.00 O ATOM 847 CB SER A 744 -4.011 3.576 8.356 1.00 0.00 C ATOM 848 OG SER A 744 -5.122 3.933 9.160 1.00 0.00 O ATOM 0 H SER A 744 -5.726 4.433 6.702 1.00 0.00 H new ATOM 0 HA SER A 744 -3.577 2.468 6.566 1.00 0.00 H new ATOM 0 HB2 SER A 744 -3.322 2.960 8.934 1.00 0.00 H new ATOM 0 HB3 SER A 744 -3.467 4.474 8.063 1.00 0.00 H new ATOM 0 HG SER A 744 -5.849 3.291 9.017 1.00 0.00 H new ATOM 854 N VAL A 745 -4.803 0.414 7.150 1.00 0.00 N ATOM 855 CA VAL A 745 -5.498 -0.826 7.473 1.00 0.00 C ATOM 856 C VAL A 745 -4.536 -1.863 8.042 1.00 0.00 C ATOM 857 O VAL A 745 -3.386 -1.959 7.613 1.00 0.00 O ATOM 858 CB VAL A 745 -6.198 -1.417 6.235 1.00 0.00 C ATOM 859 CG1 VAL A 745 -6.911 -2.712 6.592 1.00 0.00 C ATOM 860 CG2 VAL A 745 -7.170 -0.409 5.642 1.00 0.00 C ATOM 0 H VAL A 745 -3.932 0.287 6.635 1.00 0.00 H new ATOM 0 HA VAL A 745 -6.250 -0.581 8.223 1.00 0.00 H new ATOM 0 HB VAL A 745 -5.441 -1.643 5.484 1.00 0.00 H new ATOM 0 HG11 VAL A 745 -7.400 -3.115 5.705 1.00 0.00 H new ATOM 0 HG12 VAL A 745 -6.186 -3.435 6.967 1.00 0.00 H new ATOM 0 HG13 VAL A 745 -7.659 -2.516 7.361 1.00 0.00 H new ATOM 0 HG21 VAL A 745 -7.656 -0.843 4.768 1.00 0.00 H new ATOM 0 HG22 VAL A 745 -7.924 -0.150 6.385 1.00 0.00 H new ATOM 0 HG23 VAL A 745 -6.628 0.489 5.347 1.00 0.00 H new ATOM 870 N ASP A 746 -5.014 -2.637 9.010 1.00 0.00 N ATOM 871 CA ASP A 746 -4.196 -3.669 9.638 1.00 0.00 C ATOM 872 C ASP A 746 -3.532 -4.551 8.585 1.00 0.00 C ATOM 873 O ASP A 746 -4.192 -5.052 7.675 1.00 0.00 O ATOM 874 CB ASP A 746 -5.050 -4.526 10.574 1.00 0.00 C ATOM 875 CG ASP A 746 -5.108 -3.965 11.981 1.00 0.00 C ATOM 876 OD1 ASP A 746 -5.820 -2.960 12.190 1.00 0.00 O ATOM 877 OD2 ASP A 746 -4.442 -4.530 12.873 1.00 0.00 O ATOM 0 H ASP A 746 -5.963 -2.570 9.377 1.00 0.00 H new ATOM 0 HA ASP A 746 -3.416 -3.177 10.219 1.00 0.00 H new ATOM 0 HB2 ASP A 746 -6.061 -4.599 10.173 1.00 0.00 H new ATOM 0 HB3 ASP A 746 -4.646 -5.538 10.606 1.00 0.00 H new ATOM 882 N ARG A 747 -2.222 -4.735 8.716 1.00 0.00 N ATOM 883 CA ARG A 747 -1.468 -5.554 7.775 1.00 0.00 C ATOM 884 C ARG A 747 -2.146 -6.904 7.564 1.00 0.00 C ATOM 885 O ARG A 747 -2.140 -7.446 6.459 1.00 0.00 O ATOM 886 CB ARG A 747 -0.038 -5.762 8.279 1.00 0.00 C ATOM 887 CG ARG A 747 0.763 -4.475 8.386 1.00 0.00 C ATOM 888 CD ARG A 747 2.246 -4.757 8.571 1.00 0.00 C ATOM 889 NE ARG A 747 2.563 -5.143 9.944 1.00 0.00 N ATOM 890 CZ ARG A 747 2.488 -6.392 10.391 1.00 0.00 C ATOM 891 NH1 ARG A 747 2.110 -7.369 9.579 1.00 0.00 N ATOM 892 NH2 ARG A 747 2.792 -6.664 11.654 1.00 0.00 N ATOM 0 H ARG A 747 -1.661 -4.328 9.465 1.00 0.00 H new ATOM 0 HA ARG A 747 -1.437 -5.030 6.820 1.00 0.00 H new ATOM 0 HB2 ARG A 747 -0.073 -6.241 9.258 1.00 0.00 H new ATOM 0 HB3 ARG A 747 0.479 -6.447 7.607 1.00 0.00 H new ATOM 0 HG2 ARG A 747 0.614 -3.877 7.487 1.00 0.00 H new ATOM 0 HG3 ARG A 747 0.396 -3.885 9.226 1.00 0.00 H new ATOM 0 HD2 ARG A 747 2.551 -5.552 7.891 1.00 0.00 H new ATOM 0 HD3 ARG A 747 2.820 -3.870 8.302 1.00 0.00 H new ATOM 0 HE ARG A 747 2.858 -4.415 10.594 1.00 0.00 H new ATOM 0 HH11 ARG A 747 1.876 -7.163 8.608 1.00 0.00 H new ATOM 0 HH12 ARG A 747 2.053 -8.327 9.925 1.00 0.00 H new ATOM 0 HH21 ARG A 747 3.083 -5.914 12.281 1.00 0.00 H new ATOM 0 HH22 ARG A 747 2.734 -7.623 11.997 1.00 0.00 H new ATOM 906 N GLN A 748 -2.730 -7.440 8.631 1.00 0.00 N ATOM 907 CA GLN A 748 -3.411 -8.727 8.562 1.00 0.00 C ATOM 908 C GLN A 748 -4.708 -8.615 7.768 1.00 0.00 C ATOM 909 O GLN A 748 -5.004 -9.459 6.922 1.00 0.00 O ATOM 910 CB GLN A 748 -3.705 -9.249 9.970 1.00 0.00 C ATOM 911 CG GLN A 748 -3.699 -10.765 10.071 1.00 0.00 C ATOM 912 CD GLN A 748 -4.637 -11.283 11.144 1.00 0.00 C ATOM 913 OE1 GLN A 748 -4.216 -11.972 12.073 1.00 0.00 O ATOM 914 NE2 GLN A 748 -5.917 -10.952 11.021 1.00 0.00 N ATOM 0 H GLN A 748 -2.745 -7.003 9.553 1.00 0.00 H new ATOM 0 HA GLN A 748 -2.753 -9.430 8.051 1.00 0.00 H new ATOM 0 HB2 GLN A 748 -2.965 -8.844 10.660 1.00 0.00 H new ATOM 0 HB3 GLN A 748 -4.678 -8.876 10.291 1.00 0.00 H new ATOM 0 HG2 GLN A 748 -3.984 -11.190 9.109 1.00 0.00 H new ATOM 0 HG3 GLN A 748 -2.686 -11.107 10.283 1.00 0.00 H new ATOM 0 HE21 GLN A 748 -6.222 -10.379 10.235 1.00 0.00 H new ATOM 0 HE22 GLN A 748 -6.595 -11.271 11.713 1.00 0.00 H new ATOM 923 N ARG A 749 -5.478 -7.568 8.047 1.00 0.00 N ATOM 924 CA ARG A 749 -6.745 -7.347 7.359 1.00 0.00 C ATOM 925 C ARG A 749 -6.549 -7.348 5.846 1.00 0.00 C ATOM 926 O ARG A 749 -7.481 -7.627 5.089 1.00 0.00 O ATOM 927 CB ARG A 749 -7.365 -6.021 7.803 1.00 0.00 C ATOM 928 CG ARG A 749 -8.060 -6.095 9.153 1.00 0.00 C ATOM 929 CD ARG A 749 -8.859 -4.832 9.438 1.00 0.00 C ATOM 930 NE ARG A 749 -9.766 -5.003 10.569 1.00 0.00 N ATOM 931 CZ ARG A 749 -10.273 -3.991 11.265 1.00 0.00 C ATOM 932 NH1 ARG A 749 -9.961 -2.742 10.946 1.00 0.00 N ATOM 933 NH2 ARG A 749 -11.092 -4.227 12.281 1.00 0.00 N ATOM 0 H ARG A 749 -5.247 -6.860 8.744 1.00 0.00 H new ATOM 0 HA ARG A 749 -7.420 -8.162 7.621 1.00 0.00 H new ATOM 0 HB2 ARG A 749 -6.584 -5.261 7.847 1.00 0.00 H new ATOM 0 HB3 ARG A 749 -8.084 -5.696 7.051 1.00 0.00 H new ATOM 0 HG2 ARG A 749 -8.724 -6.959 9.175 1.00 0.00 H new ATOM 0 HG3 ARG A 749 -7.318 -6.243 9.938 1.00 0.00 H new ATOM 0 HD2 ARG A 749 -8.175 -4.009 9.643 1.00 0.00 H new ATOM 0 HD3 ARG A 749 -9.432 -4.558 8.552 1.00 0.00 H new ATOM 0 HE ARG A 749 -10.025 -5.952 10.840 1.00 0.00 H new ATOM 0 HH11 ARG A 749 -9.331 -2.557 10.165 1.00 0.00 H new ATOM 0 HH12 ARG A 749 -10.351 -1.966 11.481 1.00 0.00 H new ATOM 0 HH21 ARG A 749 -11.334 -5.186 12.529 1.00 0.00 H new ATOM 0 HH22 ARG A 749 -11.480 -3.449 12.814 1.00 0.00 H new ATOM 947 N LEU A 750 -5.333 -7.036 5.412 1.00 0.00 N ATOM 948 CA LEU A 750 -5.015 -7.000 3.988 1.00 0.00 C ATOM 949 C LEU A 750 -4.668 -8.394 3.473 1.00 0.00 C ATOM 950 O LEU A 750 -4.060 -9.197 4.182 1.00 0.00 O ATOM 951 CB LEU A 750 -3.850 -6.044 3.730 1.00 0.00 C ATOM 952 CG LEU A 750 -4.024 -4.618 4.253 1.00 0.00 C ATOM 953 CD1 LEU A 750 -2.683 -3.902 4.307 1.00 0.00 C ATOM 954 CD2 LEU A 750 -5.007 -3.847 3.384 1.00 0.00 C ATOM 0 H LEU A 750 -4.551 -6.804 6.025 1.00 0.00 H new ATOM 0 HA LEU A 750 -5.895 -6.643 3.453 1.00 0.00 H new ATOM 0 HB2 LEU A 750 -2.952 -6.468 4.180 1.00 0.00 H new ATOM 0 HB3 LEU A 750 -3.676 -5.997 2.655 1.00 0.00 H new ATOM 0 HG LEU A 750 -4.427 -4.669 5.265 1.00 0.00 H new ATOM 0 HD11 LEU A 750 -2.827 -2.888 4.682 1.00 0.00 H new ATOM 0 HD12 LEU A 750 -2.009 -4.442 4.971 1.00 0.00 H new ATOM 0 HD13 LEU A 750 -2.252 -3.861 3.307 1.00 0.00 H new ATOM 0 HD21 LEU A 750 -5.118 -2.834 3.771 1.00 0.00 H new ATOM 0 HD22 LEU A 750 -4.633 -3.805 2.361 1.00 0.00 H new ATOM 0 HD23 LEU A 750 -5.975 -4.349 3.396 1.00 0.00 H new ATOM 966 N THR A 751 -5.057 -8.674 2.233 1.00 0.00 N ATOM 967 CA THR A 751 -4.787 -9.969 1.622 1.00 0.00 C ATOM 968 C THR A 751 -4.033 -9.810 0.307 1.00 0.00 C ATOM 969 O THR A 751 -4.628 -9.524 -0.732 1.00 0.00 O ATOM 970 CB THR A 751 -6.089 -10.751 1.363 1.00 0.00 C ATOM 971 OG1 THR A 751 -6.949 -10.662 2.504 1.00 0.00 O ATOM 972 CG2 THR A 751 -5.791 -12.212 1.059 1.00 0.00 C ATOM 0 H THR A 751 -5.560 -8.021 1.632 1.00 0.00 H new ATOM 0 HA THR A 751 -4.170 -10.528 2.326 1.00 0.00 H new ATOM 0 HB THR A 751 -6.586 -10.310 0.499 1.00 0.00 H new ATOM 0 HG1 THR A 751 -7.775 -11.160 2.331 1.00 0.00 H new ATOM 0 HG21 THR A 751 -6.725 -12.744 0.880 1.00 0.00 H new ATOM 0 HG22 THR A 751 -5.160 -12.278 0.173 1.00 0.00 H new ATOM 0 HG23 THR A 751 -5.274 -12.662 1.907 1.00 0.00 H new ATOM 980 N THR A 752 -2.718 -9.999 0.357 1.00 0.00 N ATOM 981 CA THR A 752 -1.882 -9.875 -0.830 1.00 0.00 C ATOM 982 C THR A 752 -2.478 -10.643 -2.004 1.00 0.00 C ATOM 983 O THR A 752 -2.645 -11.861 -1.942 1.00 0.00 O ATOM 984 CB THR A 752 -0.454 -10.390 -0.568 1.00 0.00 C ATOM 985 OG1 THR A 752 -0.503 -11.624 0.157 1.00 0.00 O ATOM 986 CG2 THR A 752 0.354 -9.367 0.217 1.00 0.00 C ATOM 0 H THR A 752 -2.209 -10.239 1.208 1.00 0.00 H new ATOM 0 HA THR A 752 -1.839 -8.814 -1.076 1.00 0.00 H new ATOM 0 HB THR A 752 0.032 -10.554 -1.530 1.00 0.00 H new ATOM 0 HG1 THR A 752 -1.161 -12.221 -0.257 1.00 0.00 H new ATOM 0 HG21 THR A 752 1.359 -9.752 0.390 1.00 0.00 H new ATOM 0 HG22 THR A 752 0.414 -8.438 -0.350 1.00 0.00 H new ATOM 0 HG23 THR A 752 -0.132 -9.177 1.174 1.00 0.00 H new ATOM 994 N VAL A 753 -2.797 -9.923 -3.075 1.00 0.00 N ATOM 995 CA VAL A 753 -3.374 -10.537 -4.265 1.00 0.00 C ATOM 996 C VAL A 753 -2.412 -11.545 -4.884 1.00 0.00 C ATOM 997 O VAL A 753 -2.809 -12.647 -5.261 1.00 0.00 O ATOM 998 CB VAL A 753 -3.740 -9.478 -5.322 1.00 0.00 C ATOM 999 CG1 VAL A 753 -4.265 -10.143 -6.585 1.00 0.00 C ATOM 1000 CG2 VAL A 753 -4.760 -8.498 -4.762 1.00 0.00 C ATOM 0 H VAL A 753 -2.666 -8.914 -3.143 1.00 0.00 H new ATOM 0 HA VAL A 753 -4.281 -11.051 -3.948 1.00 0.00 H new ATOM 0 HB VAL A 753 -2.839 -8.922 -5.581 1.00 0.00 H new ATOM 0 HG11 VAL A 753 -4.518 -9.379 -7.320 1.00 0.00 H new ATOM 0 HG12 VAL A 753 -3.499 -10.801 -6.995 1.00 0.00 H new ATOM 0 HG13 VAL A 753 -5.155 -10.726 -6.346 1.00 0.00 H new ATOM 0 HG21 VAL A 753 -5.007 -7.757 -5.522 1.00 0.00 H new ATOM 0 HG22 VAL A 753 -5.662 -9.037 -4.474 1.00 0.00 H new ATOM 0 HG23 VAL A 753 -4.342 -7.997 -3.889 1.00 0.00 H new