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 Set 1.1: A 728 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 731 THR OG1 : rot 180:sc= -0.524 USER MOD Single : A 703 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 708 GLN : amide:sc= -0.396 K(o=-0.4,f=-1.2) 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= -1.27 K(o=-1.3,f=-6.1!) 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 730 SER OG : rot 180:sc= 0 USER MOD Single : A 737 HIS : no HE2:sc= -0.678 K(o=-0.68,f=-4!) USER MOD Single : A 738 SER OG : rot 180:sc= 0 USER MOD Single : A 739 THR OG1 : rot 66:sc= -2.09 USER MOD Single : A 740 CYS SG : rot -8:sc= -0.0298 USER MOD Single : A 741 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 742 THR OG1 : rot 180:sc= 0 USER MOD Single : A 744 SER OG : rot 180:sc= -1.25 USER MOD Single : A 748 GLN : amide:sc= -0.029 K(o=-0.029,f=-1.2!) USER MOD Single : A 751 THR OG1 : rot -160:sc= 0 USER MOD Single : A 752 THR OG1 : rot 43:sc= 0.00223 USER MOD ----------------------------------------------------------------- ATOM 216 N ASN A 703 9.539 -0.571 4.129 1.00 0.00 N ATOM 217 CA ASN A 703 8.929 -0.043 2.914 1.00 0.00 C ATOM 218 C ASN A 703 9.032 -1.049 1.772 1.00 0.00 C ATOM 219 O ASN A 703 8.941 -0.683 0.601 1.00 0.00 O ATOM 220 CB ASN A 703 9.599 1.273 2.512 1.00 0.00 C ATOM 221 CG ASN A 703 9.926 2.145 3.709 1.00 0.00 C ATOM 222 OD1 ASN A 703 11.070 2.196 4.161 1.00 0.00 O ATOM 223 ND2 ASN A 703 8.918 2.836 4.230 1.00 0.00 N ATOM 0 HA ASN A 703 7.874 0.142 3.118 1.00 0.00 H new ATOM 0 HB2 ASN A 703 10.515 1.058 1.962 1.00 0.00 H new ATOM 0 HB3 ASN A 703 8.942 1.820 1.836 1.00 0.00 H new ATOM 0 HD21 ASN A 703 9.076 3.439 5.037 1.00 0.00 H new ATOM 0 HD22 ASN A 703 7.986 2.763 3.823 1.00 0.00 H new ATOM 230 N GLU A 704 9.222 -2.317 2.123 1.00 0.00 N ATOM 231 CA GLU A 704 9.337 -3.375 1.127 1.00 0.00 C ATOM 232 C GLU A 704 7.982 -3.677 0.494 1.00 0.00 C ATOM 233 O GLU A 704 7.840 -3.672 -0.729 1.00 0.00 O ATOM 234 CB GLU A 704 9.910 -4.644 1.762 1.00 0.00 C ATOM 235 CG GLU A 704 10.138 -5.772 0.771 1.00 0.00 C ATOM 236 CD GLU A 704 11.177 -5.426 -0.278 1.00 0.00 C ATOM 237 OE1 GLU A 704 12.377 -5.393 0.065 1.00 0.00 O ATOM 238 OE2 GLU A 704 10.790 -5.186 -1.441 1.00 0.00 O ATOM 0 H GLU A 704 9.299 -2.636 3.089 1.00 0.00 H new ATOM 0 HA GLU A 704 10.014 -3.031 0.346 1.00 0.00 H new ATOM 0 HB2 GLU A 704 10.855 -4.402 2.248 1.00 0.00 H new ATOM 0 HB3 GLU A 704 9.230 -4.989 2.541 1.00 0.00 H new ATOM 0 HG2 GLU A 704 10.454 -6.665 1.310 1.00 0.00 H new ATOM 0 HG3 GLU A 704 9.196 -6.014 0.278 1.00 0.00 H new ATOM 245 N LEU A 705 6.989 -3.941 1.336 1.00 0.00 N ATOM 246 CA LEU A 705 5.644 -4.246 0.860 1.00 0.00 C ATOM 247 C LEU A 705 5.025 -3.038 0.164 1.00 0.00 C ATOM 248 O LEU A 705 4.000 -3.154 -0.508 1.00 0.00 O ATOM 249 CB LEU A 705 4.757 -4.687 2.026 1.00 0.00 C ATOM 250 CG LEU A 705 3.264 -4.818 1.722 1.00 0.00 C ATOM 251 CD1 LEU A 705 3.014 -5.965 0.756 1.00 0.00 C ATOM 252 CD2 LEU A 705 2.474 -5.018 3.007 1.00 0.00 C ATOM 0 H LEU A 705 7.090 -3.950 2.351 1.00 0.00 H new ATOM 0 HA LEU A 705 5.717 -5.060 0.138 1.00 0.00 H new ATOM 0 HB2 LEU A 705 5.119 -5.649 2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 705 4.880 -3.973 2.840 1.00 0.00 H new ATOM 0 HG LEU A 705 2.926 -3.895 1.251 1.00 0.00 H new ATOM 0 HD11 LEU A 705 1.946 -6.042 0.552 1.00 0.00 H new ATOM 0 HD12 LEU A 705 3.549 -5.779 -0.175 1.00 0.00 H new ATOM 0 HD13 LEU A 705 3.367 -6.897 1.198 1.00 0.00 H new ATOM 0 HD21 LEU A 705 1.414 -5.109 2.772 1.00 0.00 H new ATOM 0 HD22 LEU A 705 2.814 -5.925 3.506 1.00 0.00 H new ATOM 0 HD23 LEU A 705 2.627 -4.163 3.665 1.00 0.00 H new ATOM 264 N ILE A 706 5.655 -1.880 0.329 1.00 0.00 N ATOM 265 CA ILE A 706 5.169 -0.652 -0.287 1.00 0.00 C ATOM 266 C ILE A 706 5.261 -0.724 -1.807 1.00 0.00 C ATOM 267 O ILE A 706 6.350 -0.672 -2.376 1.00 0.00 O ATOM 268 CB ILE A 706 5.957 0.576 0.206 1.00 0.00 C ATOM 269 CG1 ILE A 706 5.560 0.921 1.643 1.00 0.00 C ATOM 270 CG2 ILE A 706 5.719 1.763 -0.715 1.00 0.00 C ATOM 271 CD1 ILE A 706 5.239 -0.291 2.489 1.00 0.00 C ATOM 0 H ILE A 706 6.503 -1.767 0.884 1.00 0.00 H new ATOM 0 HA ILE A 706 4.125 -0.545 0.006 1.00 0.00 H new ATOM 0 HB ILE A 706 7.020 0.337 0.191 1.00 0.00 H new ATOM 0 HG12 ILE A 706 6.372 1.477 2.112 1.00 0.00 H new ATOM 0 HG13 ILE A 706 4.692 1.580 1.623 1.00 0.00 H new ATOM 0 HG21 ILE A 706 6.283 2.623 -0.353 1.00 0.00 H new ATOM 0 HG22 ILE A 706 6.047 1.512 -1.724 1.00 0.00 H new ATOM 0 HG23 ILE A 706 4.656 2.005 -0.729 1.00 0.00 H new ATOM 0 HD11 ILE A 706 4.966 0.029 3.495 1.00 0.00 H new ATOM 0 HD12 ILE A 706 4.407 -0.836 2.043 1.00 0.00 H new ATOM 0 HD13 ILE A 706 6.113 -0.941 2.540 1.00 0.00 H new ATOM 283 N GLY A 707 4.108 -0.843 -2.459 1.00 0.00 N ATOM 284 CA GLY A 707 4.081 -0.919 -3.908 1.00 0.00 C ATOM 285 C GLY A 707 3.398 -2.175 -4.410 1.00 0.00 C ATOM 286 O GLY A 707 3.003 -2.252 -5.573 1.00 0.00 O ATOM 0 H GLY A 707 3.193 -0.888 -2.010 1.00 0.00 H new ATOM 0 HA2 GLY A 707 3.565 -0.045 -4.305 1.00 0.00 H new ATOM 0 HA3 GLY A 707 5.102 -0.887 -4.289 1.00 0.00 H new ATOM 290 N GLN A 708 3.260 -3.163 -3.532 1.00 0.00 N ATOM 291 CA GLN A 708 2.623 -4.424 -3.894 1.00 0.00 C ATOM 292 C GLN A 708 1.105 -4.277 -3.924 1.00 0.00 C ATOM 293 O GLN A 708 0.541 -3.405 -3.261 1.00 0.00 O ATOM 294 CB GLN A 708 3.021 -5.523 -2.908 1.00 0.00 C ATOM 295 CG GLN A 708 4.509 -5.550 -2.596 1.00 0.00 C ATOM 296 CD GLN A 708 5.368 -5.352 -3.829 1.00 0.00 C ATOM 297 OE1 GLN A 708 5.049 -5.850 -4.908 1.00 0.00 O ATOM 298 NE2 GLN A 708 6.465 -4.620 -3.674 1.00 0.00 N ATOM 0 H GLN A 708 3.581 -3.115 -2.565 1.00 0.00 H new ATOM 0 HA GLN A 708 2.964 -4.701 -4.892 1.00 0.00 H new ATOM 0 HB2 GLN A 708 2.466 -5.386 -1.980 1.00 0.00 H new ATOM 0 HB3 GLN A 708 2.726 -6.490 -3.316 1.00 0.00 H new ATOM 0 HG2 GLN A 708 4.738 -4.770 -1.869 1.00 0.00 H new ATOM 0 HG3 GLN A 708 4.762 -6.503 -2.131 1.00 0.00 H new ATOM 0 HE21 GLN A 708 6.691 -4.226 -2.760 1.00 0.00 H new ATOM 0 HE22 GLN A 708 7.082 -4.451 -4.468 1.00 0.00 H new ATOM 307 N THR A 709 0.447 -5.135 -4.697 1.00 0.00 N ATOM 308 CA THR A 709 -1.005 -5.100 -4.815 1.00 0.00 C ATOM 309 C THR A 709 -1.667 -5.901 -3.699 1.00 0.00 C ATOM 310 O THR A 709 -1.553 -7.126 -3.649 1.00 0.00 O ATOM 311 CB THR A 709 -1.472 -5.654 -6.175 1.00 0.00 C ATOM 312 OG1 THR A 709 -0.987 -4.823 -7.235 1.00 0.00 O ATOM 313 CG2 THR A 709 -2.990 -5.728 -6.236 1.00 0.00 C ATOM 0 H THR A 709 0.897 -5.863 -5.251 1.00 0.00 H new ATOM 0 HA THR A 709 -1.303 -4.055 -4.735 1.00 0.00 H new ATOM 0 HB THR A 709 -1.070 -6.661 -6.290 1.00 0.00 H new ATOM 0 HG1 THR A 709 -1.287 -5.183 -8.096 1.00 0.00 H new ATOM 0 HG21 THR A 709 -3.296 -6.122 -7.205 1.00 0.00 H new ATOM 0 HG22 THR A 709 -3.354 -6.384 -5.446 1.00 0.00 H new ATOM 0 HG23 THR A 709 -3.409 -4.731 -6.101 1.00 0.00 H new ATOM 321 N VAL A 710 -2.359 -5.202 -2.806 1.00 0.00 N ATOM 322 CA VAL A 710 -3.041 -5.848 -1.691 1.00 0.00 C ATOM 323 C VAL A 710 -4.554 -5.729 -1.829 1.00 0.00 C ATOM 324 O VAL A 710 -5.065 -4.726 -2.327 1.00 0.00 O ATOM 325 CB VAL A 710 -2.610 -5.242 -0.342 1.00 0.00 C ATOM 326 CG1 VAL A 710 -1.115 -5.421 -0.129 1.00 0.00 C ATOM 327 CG2 VAL A 710 -2.994 -3.771 -0.272 1.00 0.00 C ATOM 0 H VAL A 710 -2.462 -4.188 -2.833 1.00 0.00 H new ATOM 0 HA VAL A 710 -2.759 -6.901 -1.715 1.00 0.00 H new ATOM 0 HB VAL A 710 -3.132 -5.769 0.456 1.00 0.00 H new ATOM 0 HG11 VAL A 710 -0.829 -4.987 0.829 1.00 0.00 H new ATOM 0 HG12 VAL A 710 -0.872 -6.483 -0.133 1.00 0.00 H new ATOM 0 HG13 VAL A 710 -0.571 -4.921 -0.930 1.00 0.00 H new ATOM 0 HG21 VAL A 710 -2.682 -3.359 0.688 1.00 0.00 H new ATOM 0 HG22 VAL A 710 -2.501 -3.227 -1.078 1.00 0.00 H new ATOM 0 HG23 VAL A 710 -4.075 -3.672 -0.376 1.00 0.00 H new ATOM 337 N ARG A 711 -5.266 -6.759 -1.383 1.00 0.00 N ATOM 338 CA ARG A 711 -6.722 -6.770 -1.457 1.00 0.00 C ATOM 339 C ARG A 711 -7.337 -6.887 -0.066 1.00 0.00 C ATOM 340 O ARG A 711 -7.213 -7.919 0.594 1.00 0.00 O ATOM 341 CB ARG A 711 -7.200 -7.928 -2.336 1.00 0.00 C ATOM 342 CG ARG A 711 -8.705 -8.138 -2.301 1.00 0.00 C ATOM 343 CD ARG A 711 -9.071 -9.592 -2.557 1.00 0.00 C ATOM 344 NE ARG A 711 -8.922 -10.413 -1.359 1.00 0.00 N ATOM 345 CZ ARG A 711 -9.841 -10.491 -0.403 1.00 0.00 C ATOM 346 NH1 ARG A 711 -10.969 -9.802 -0.505 1.00 0.00 N ATOM 347 NH2 ARG A 711 -9.632 -11.261 0.658 1.00 0.00 N ATOM 0 H ARG A 711 -4.858 -7.596 -0.967 1.00 0.00 H new ATOM 0 HA ARG A 711 -7.045 -5.828 -1.900 1.00 0.00 H new ATOM 0 HB2 ARG A 711 -6.891 -7.743 -3.365 1.00 0.00 H new ATOM 0 HB3 ARG A 711 -6.706 -8.845 -2.015 1.00 0.00 H new ATOM 0 HG2 ARG A 711 -9.094 -7.829 -1.331 1.00 0.00 H new ATOM 0 HG3 ARG A 711 -9.179 -7.505 -3.051 1.00 0.00 H new ATOM 0 HD2 ARG A 711 -10.101 -9.650 -2.910 1.00 0.00 H new ATOM 0 HD3 ARG A 711 -8.439 -9.991 -3.351 1.00 0.00 H new ATOM 0 HE ARG A 711 -8.066 -10.956 -1.250 1.00 0.00 H new ATOM 0 HH11 ARG A 711 -11.133 -9.210 -1.319 1.00 0.00 H new ATOM 0 HH12 ARG A 711 -11.673 -9.864 0.231 1.00 0.00 H new ATOM 0 HH21 ARG A 711 -8.766 -11.793 0.739 1.00 0.00 H new ATOM 0 HH22 ARG A 711 -10.338 -11.321 1.392 1.00 0.00 H new ATOM 361 N ILE A 712 -7.999 -5.822 0.374 1.00 0.00 N ATOM 362 CA ILE A 712 -8.633 -5.805 1.686 1.00 0.00 C ATOM 363 C ILE A 712 -9.646 -6.936 1.822 1.00 0.00 C ATOM 364 O ILE A 712 -10.408 -7.215 0.896 1.00 0.00 O ATOM 365 CB ILE A 712 -9.339 -4.463 1.953 1.00 0.00 C ATOM 366 CG1 ILE A 712 -8.314 -3.331 2.047 1.00 0.00 C ATOM 367 CG2 ILE A 712 -10.166 -4.543 3.228 1.00 0.00 C ATOM 368 CD1 ILE A 712 -8.850 -1.990 1.597 1.00 0.00 C ATOM 0 H ILE A 712 -8.110 -4.960 -0.159 1.00 0.00 H new ATOM 0 HA ILE A 712 -7.840 -5.941 2.421 1.00 0.00 H new ATOM 0 HB ILE A 712 -10.010 -4.252 1.120 1.00 0.00 H new ATOM 0 HG12 ILE A 712 -7.970 -3.248 3.078 1.00 0.00 H new ATOM 0 HG13 ILE A 712 -7.445 -3.588 1.441 1.00 0.00 H new ATOM 0 HG21 ILE A 712 -10.659 -3.587 3.403 1.00 0.00 H new ATOM 0 HG22 ILE A 712 -10.918 -5.325 3.125 1.00 0.00 H new ATOM 0 HG23 ILE A 712 -9.514 -4.775 4.070 1.00 0.00 H new ATOM 0 HD11 ILE A 712 -8.069 -1.236 1.691 1.00 0.00 H new ATOM 0 HD12 ILE A 712 -9.167 -2.056 0.556 1.00 0.00 H new ATOM 0 HD13 ILE A 712 -9.701 -1.711 2.219 1.00 0.00 H new ATOM 380 N SER A 713 -9.651 -7.583 2.983 1.00 0.00 N ATOM 381 CA SER A 713 -10.570 -8.686 3.239 1.00 0.00 C ATOM 382 C SER A 713 -11.563 -8.321 4.339 1.00 0.00 C ATOM 383 O SER A 713 -12.685 -8.825 4.367 1.00 0.00 O ATOM 384 CB SER A 713 -9.793 -9.944 3.635 1.00 0.00 C ATOM 385 OG SER A 713 -10.655 -10.923 4.188 1.00 0.00 O ATOM 0 H SER A 713 -9.029 -7.363 3.761 1.00 0.00 H new ATOM 0 HA SER A 713 -11.125 -8.884 2.322 1.00 0.00 H new ATOM 0 HB2 SER A 713 -9.287 -10.353 2.761 1.00 0.00 H new ATOM 0 HB3 SER A 713 -9.020 -9.685 4.359 1.00 0.00 H new ATOM 0 HG SER A 713 -10.135 -11.717 4.431 1.00 0.00 H new ATOM 391 N GLN A 714 -11.139 -7.442 5.242 1.00 0.00 N ATOM 392 CA GLN A 714 -11.991 -7.010 6.344 1.00 0.00 C ATOM 393 C GLN A 714 -12.340 -5.531 6.214 1.00 0.00 C ATOM 394 O GLN A 714 -11.875 -4.851 5.301 1.00 0.00 O ATOM 395 CB GLN A 714 -11.297 -7.267 7.683 1.00 0.00 C ATOM 396 CG GLN A 714 -10.866 -8.712 7.877 1.00 0.00 C ATOM 397 CD GLN A 714 -10.831 -9.118 9.337 1.00 0.00 C ATOM 398 OE1 GLN A 714 -9.895 -8.784 10.064 1.00 0.00 O ATOM 399 NE2 GLN A 714 -11.853 -9.844 9.775 1.00 0.00 N ATOM 0 H GLN A 714 -10.212 -7.016 5.232 1.00 0.00 H new ATOM 0 HA GLN A 714 -12.915 -7.587 6.305 1.00 0.00 H new ATOM 0 HB2 GLN A 714 -10.422 -6.622 7.759 1.00 0.00 H new ATOM 0 HB3 GLN A 714 -11.971 -6.986 8.492 1.00 0.00 H new ATOM 0 HG2 GLN A 714 -11.550 -9.367 7.338 1.00 0.00 H new ATOM 0 HG3 GLN A 714 -9.878 -8.854 7.440 1.00 0.00 H new ATOM 0 HE21 GLN A 714 -12.608 -10.098 9.138 1.00 0.00 H new ATOM 0 HE22 GLN A 714 -11.883 -10.147 10.748 1.00 0.00 H new ATOM 408 N GLY A 715 -13.164 -5.040 7.135 1.00 0.00 N ATOM 409 CA GLY A 715 -13.562 -3.644 7.105 1.00 0.00 C ATOM 410 C GLY A 715 -14.586 -3.357 6.025 1.00 0.00 C ATOM 411 O GLY A 715 -14.995 -4.244 5.276 1.00 0.00 O ATOM 0 H GLY A 715 -13.563 -5.583 7.901 1.00 0.00 H new ATOM 0 HA2 GLY A 715 -13.974 -3.366 8.075 1.00 0.00 H new ATOM 0 HA3 GLY A 715 -12.682 -3.022 6.942 1.00 0.00 H new ATOM 415 N PRO A 716 -15.016 -2.089 5.934 1.00 0.00 N ATOM 416 CA PRO A 716 -16.005 -1.658 4.942 1.00 0.00 C ATOM 417 C PRO A 716 -15.446 -1.672 3.523 1.00 0.00 C ATOM 418 O PRO A 716 -16.168 -1.421 2.558 1.00 0.00 O ATOM 419 CB PRO A 716 -16.338 -0.227 5.371 1.00 0.00 C ATOM 420 CG PRO A 716 -15.131 0.237 6.111 1.00 0.00 C ATOM 421 CD PRO A 716 -14.571 -0.980 6.794 1.00 0.00 C ATOM 0 HA PRO A 716 -16.870 -2.321 4.914 1.00 0.00 H new ATOM 0 HB2 PRO A 716 -16.542 0.408 4.509 1.00 0.00 H new ATOM 0 HB3 PRO A 716 -17.225 -0.200 6.004 1.00 0.00 H new ATOM 0 HG2 PRO A 716 -14.400 0.674 5.431 1.00 0.00 H new ATOM 0 HG3 PRO A 716 -15.391 1.007 6.837 1.00 0.00 H new ATOM 0 HD2 PRO A 716 -13.484 -0.937 6.864 1.00 0.00 H new ATOM 0 HD3 PRO A 716 -14.952 -1.082 7.810 1.00 0.00 H new ATOM 429 N TYR A 717 -14.156 -1.967 3.403 1.00 0.00 N ATOM 430 CA TYR A 717 -13.500 -2.012 2.102 1.00 0.00 C ATOM 431 C TYR A 717 -13.153 -3.447 1.716 1.00 0.00 C ATOM 432 O TYR A 717 -12.182 -3.693 1.001 1.00 0.00 O ATOM 433 CB TYR A 717 -12.233 -1.156 2.117 1.00 0.00 C ATOM 434 CG TYR A 717 -12.492 0.304 2.413 1.00 0.00 C ATOM 435 CD1 TYR A 717 -12.733 0.737 3.711 1.00 0.00 C ATOM 436 CD2 TYR A 717 -12.497 1.250 1.396 1.00 0.00 C ATOM 437 CE1 TYR A 717 -12.971 2.069 3.987 1.00 0.00 C ATOM 438 CE2 TYR A 717 -12.733 2.585 1.662 1.00 0.00 C ATOM 439 CZ TYR A 717 -12.969 2.990 2.960 1.00 0.00 C ATOM 440 OH TYR A 717 -13.206 4.318 3.229 1.00 0.00 O ATOM 0 H TYR A 717 -13.544 -2.178 4.191 1.00 0.00 H new ATOM 0 HA TYR A 717 -14.192 -1.613 1.360 1.00 0.00 H new ATOM 0 HB2 TYR A 717 -11.545 -1.553 2.864 1.00 0.00 H new ATOM 0 HB3 TYR A 717 -11.737 -1.240 1.150 1.00 0.00 H new ATOM 0 HD1 TYR A 717 -12.734 0.019 4.518 1.00 0.00 H new ATOM 0 HD2 TYR A 717 -12.313 0.936 0.379 1.00 0.00 H new ATOM 0 HE1 TYR A 717 -13.158 2.388 5.002 1.00 0.00 H new ATOM 0 HE2 TYR A 717 -12.733 3.307 0.859 1.00 0.00 H new ATOM 0 HH TYR A 717 -13.168 4.832 2.396 1.00 0.00 H new ATOM 450 N LYS A 718 -13.956 -4.392 2.194 1.00 0.00 N ATOM 451 CA LYS A 718 -13.738 -5.803 1.899 1.00 0.00 C ATOM 452 C LYS A 718 -13.916 -6.082 0.410 1.00 0.00 C ATOM 453 O LYS A 718 -14.959 -5.779 -0.167 1.00 0.00 O ATOM 454 CB LYS A 718 -14.704 -6.670 2.710 1.00 0.00 C ATOM 455 CG LYS A 718 -14.766 -8.113 2.241 1.00 0.00 C ATOM 456 CD LYS A 718 -15.676 -8.948 3.126 1.00 0.00 C ATOM 457 CE LYS A 718 -17.118 -8.903 2.644 1.00 0.00 C ATOM 458 NZ LYS A 718 -18.014 -9.734 3.495 1.00 0.00 N ATOM 0 H LYS A 718 -14.764 -4.206 2.788 1.00 0.00 H new ATOM 0 HA LYS A 718 -12.714 -6.052 2.177 1.00 0.00 H new ATOM 0 HB2 LYS A 718 -14.405 -6.650 3.758 1.00 0.00 H new ATOM 0 HB3 LYS A 718 -15.702 -6.236 2.655 1.00 0.00 H new ATOM 0 HG2 LYS A 718 -15.126 -8.147 1.213 1.00 0.00 H new ATOM 0 HG3 LYS A 718 -13.763 -8.540 2.242 1.00 0.00 H new ATOM 0 HD2 LYS A 718 -15.327 -9.981 3.137 1.00 0.00 H new ATOM 0 HD3 LYS A 718 -15.623 -8.583 4.152 1.00 0.00 H new ATOM 0 HE2 LYS A 718 -17.469 -7.871 2.646 1.00 0.00 H new ATOM 0 HE3 LYS A 718 -17.167 -9.254 1.613 1.00 0.00 H new ATOM 0 HZ1 LYS A 718 -18.987 -9.677 3.134 1.00 0.00 H new ATOM 0 HZ2 LYS A 718 -17.694 -10.723 3.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 718 -17.987 -9.383 4.474 1.00 0.00 H new ATOM 472 N GLY A 719 -12.890 -6.662 -0.205 1.00 0.00 N ATOM 473 CA GLY A 719 -12.954 -6.973 -1.621 1.00 0.00 C ATOM 474 C GLY A 719 -12.467 -5.829 -2.489 1.00 0.00 C ATOM 475 O GLY A 719 -12.777 -5.768 -3.679 1.00 0.00 O ATOM 0 H GLY A 719 -12.016 -6.922 0.252 1.00 0.00 H new ATOM 0 HA2 GLY A 719 -12.353 -7.859 -1.823 1.00 0.00 H new ATOM 0 HA3 GLY A 719 -13.982 -7.217 -1.890 1.00 0.00 H new ATOM 479 N TYR A 720 -11.704 -4.920 -1.893 1.00 0.00 N ATOM 480 CA TYR A 720 -11.177 -3.771 -2.618 1.00 0.00 C ATOM 481 C TYR A 720 -9.674 -3.909 -2.839 1.00 0.00 C ATOM 482 O TYR A 720 -8.952 -4.409 -1.976 1.00 0.00 O ATOM 483 CB TYR A 720 -11.475 -2.479 -1.854 1.00 0.00 C ATOM 484 CG TYR A 720 -12.867 -1.941 -2.096 1.00 0.00 C ATOM 485 CD1 TYR A 720 -13.985 -2.607 -1.610 1.00 0.00 C ATOM 486 CD2 TYR A 720 -13.064 -0.765 -2.810 1.00 0.00 C ATOM 487 CE1 TYR A 720 -15.259 -2.119 -1.829 1.00 0.00 C ATOM 488 CE2 TYR A 720 -14.334 -0.269 -3.032 1.00 0.00 C ATOM 489 CZ TYR A 720 -15.428 -0.950 -2.540 1.00 0.00 C ATOM 490 OH TYR A 720 -16.695 -0.459 -2.759 1.00 0.00 O ATOM 0 H TYR A 720 -11.437 -4.957 -0.909 1.00 0.00 H new ATOM 0 HA TYR A 720 -11.667 -3.731 -3.591 1.00 0.00 H new ATOM 0 HB2 TYR A 720 -11.344 -2.659 -0.787 1.00 0.00 H new ATOM 0 HB3 TYR A 720 -10.746 -1.721 -2.141 1.00 0.00 H new ATOM 0 HD1 TYR A 720 -13.856 -3.522 -1.051 1.00 0.00 H new ATOM 0 HD2 TYR A 720 -12.210 -0.230 -3.198 1.00 0.00 H new ATOM 0 HE1 TYR A 720 -16.117 -2.650 -1.445 1.00 0.00 H new ATOM 0 HE2 TYR A 720 -14.470 0.647 -3.588 1.00 0.00 H new ATOM 0 HH TYR A 720 -16.639 0.372 -3.275 1.00 0.00 H new ATOM 500 N ILE A 721 -9.209 -3.460 -4.000 1.00 0.00 N ATOM 501 CA ILE A 721 -7.792 -3.531 -4.335 1.00 0.00 C ATOM 502 C ILE A 721 -7.097 -2.201 -4.068 1.00 0.00 C ATOM 503 O ILE A 721 -7.725 -1.144 -4.095 1.00 0.00 O ATOM 504 CB ILE A 721 -7.581 -3.922 -5.809 1.00 0.00 C ATOM 505 CG1 ILE A 721 -8.336 -5.213 -6.131 1.00 0.00 C ATOM 506 CG2 ILE A 721 -6.098 -4.081 -6.108 1.00 0.00 C ATOM 507 CD1 ILE A 721 -7.782 -6.430 -5.423 1.00 0.00 C ATOM 0 H ILE A 721 -9.793 -3.043 -4.725 1.00 0.00 H new ATOM 0 HA ILE A 721 -7.355 -4.300 -3.698 1.00 0.00 H new ATOM 0 HB ILE A 721 -7.976 -3.126 -6.440 1.00 0.00 H new ATOM 0 HG12 ILE A 721 -9.384 -5.089 -5.858 1.00 0.00 H new ATOM 0 HG13 ILE A 721 -8.305 -5.383 -7.207 1.00 0.00 H new ATOM 0 HG21 ILE A 721 -5.965 -4.358 -7.154 1.00 0.00 H new ATOM 0 HG22 ILE A 721 -5.585 -3.139 -5.914 1.00 0.00 H new ATOM 0 HG23 ILE A 721 -5.680 -4.860 -5.471 1.00 0.00 H new ATOM 0 HD11 ILE A 721 -8.366 -7.308 -5.698 1.00 0.00 H new ATOM 0 HD12 ILE A 721 -6.743 -6.579 -5.715 1.00 0.00 H new ATOM 0 HD13 ILE A 721 -7.838 -6.280 -4.345 1.00 0.00 H new ATOM 519 N GLY A 722 -5.794 -2.261 -3.811 1.00 0.00 N ATOM 520 CA GLY A 722 -5.033 -1.054 -3.545 1.00 0.00 C ATOM 521 C GLY A 722 -3.545 -1.319 -3.434 1.00 0.00 C ATOM 522 O GLY A 722 -3.125 -2.447 -3.174 1.00 0.00 O ATOM 0 H GLY A 722 -5.252 -3.124 -3.782 1.00 0.00 H new ATOM 0 HA2 GLY A 722 -5.212 -0.332 -4.342 1.00 0.00 H new ATOM 0 HA3 GLY A 722 -5.388 -0.601 -2.619 1.00 0.00 H new ATOM 526 N VAL A 723 -2.744 -0.277 -3.633 1.00 0.00 N ATOM 527 CA VAL A 723 -1.293 -0.403 -3.554 1.00 0.00 C ATOM 528 C VAL A 723 -0.767 0.126 -2.225 1.00 0.00 C ATOM 529 O VAL A 723 -1.031 1.268 -1.850 1.00 0.00 O ATOM 530 CB VAL A 723 -0.601 0.353 -4.705 1.00 0.00 C ATOM 531 CG1 VAL A 723 0.889 0.491 -4.433 1.00 0.00 C ATOM 532 CG2 VAL A 723 -0.848 -0.353 -6.029 1.00 0.00 C ATOM 0 H VAL A 723 -3.075 0.663 -3.850 1.00 0.00 H new ATOM 0 HA VAL A 723 -1.062 -1.465 -3.636 1.00 0.00 H new ATOM 0 HB VAL A 723 -1.028 1.354 -4.769 1.00 0.00 H new ATOM 0 HG11 VAL A 723 1.361 1.027 -5.256 1.00 0.00 H new ATOM 0 HG12 VAL A 723 1.040 1.044 -3.506 1.00 0.00 H new ATOM 0 HG13 VAL A 723 1.335 -0.499 -4.342 1.00 0.00 H new ATOM 0 HG21 VAL A 723 -0.352 0.194 -6.831 1.00 0.00 H new ATOM 0 HG22 VAL A 723 -0.450 -1.366 -5.981 1.00 0.00 H new ATOM 0 HG23 VAL A 723 -1.919 -0.393 -6.225 1.00 0.00 H new ATOM 542 N VAL A 724 -0.020 -0.714 -1.514 1.00 0.00 N ATOM 543 CA VAL A 724 0.545 -0.331 -0.226 1.00 0.00 C ATOM 544 C VAL A 724 1.497 0.851 -0.373 1.00 0.00 C ATOM 545 O VAL A 724 2.576 0.725 -0.953 1.00 0.00 O ATOM 546 CB VAL A 724 1.298 -1.505 0.427 1.00 0.00 C ATOM 547 CG1 VAL A 724 1.743 -1.137 1.835 1.00 0.00 C ATOM 548 CG2 VAL A 724 0.429 -2.753 0.443 1.00 0.00 C ATOM 0 H VAL A 724 0.207 -1.664 -1.809 1.00 0.00 H new ATOM 0 HA VAL A 724 -0.290 -0.044 0.413 1.00 0.00 H new ATOM 0 HB VAL A 724 2.188 -1.718 -0.166 1.00 0.00 H new ATOM 0 HG11 VAL A 724 2.273 -1.979 2.281 1.00 0.00 H new ATOM 0 HG12 VAL A 724 2.405 -0.272 1.793 1.00 0.00 H new ATOM 0 HG13 VAL A 724 0.870 -0.896 2.441 1.00 0.00 H new ATOM 0 HG21 VAL A 724 0.977 -3.572 0.908 1.00 0.00 H new ATOM 0 HG22 VAL A 724 -0.480 -2.556 1.011 1.00 0.00 H new ATOM 0 HG23 VAL A 724 0.166 -3.026 -0.579 1.00 0.00 H new ATOM 558 N LYS A 725 1.091 2.000 0.156 1.00 0.00 N ATOM 559 CA LYS A 725 1.908 3.205 0.087 1.00 0.00 C ATOM 560 C LYS A 725 2.825 3.312 1.301 1.00 0.00 C ATOM 561 O LYS A 725 3.969 3.754 1.190 1.00 0.00 O ATOM 562 CB LYS A 725 1.016 4.446 -0.003 1.00 0.00 C ATOM 563 CG LYS A 725 0.037 4.409 -1.164 1.00 0.00 C ATOM 564 CD LYS A 725 0.646 4.998 -2.425 1.00 0.00 C ATOM 565 CE LYS A 725 1.430 3.954 -3.206 1.00 0.00 C ATOM 566 NZ LYS A 725 1.484 4.274 -4.659 1.00 0.00 N ATOM 0 H LYS A 725 0.200 2.122 0.638 1.00 0.00 H new ATOM 0 HA LYS A 725 2.527 3.143 -0.808 1.00 0.00 H new ATOM 0 HB2 LYS A 725 0.459 4.551 0.928 1.00 0.00 H new ATOM 0 HB3 LYS A 725 1.646 5.330 -0.098 1.00 0.00 H new ATOM 0 HG2 LYS A 725 -0.267 3.379 -1.352 1.00 0.00 H new ATOM 0 HG3 LYS A 725 -0.863 4.964 -0.900 1.00 0.00 H new ATOM 0 HD2 LYS A 725 -0.144 5.408 -3.055 1.00 0.00 H new ATOM 0 HD3 LYS A 725 1.304 5.826 -2.160 1.00 0.00 H new ATOM 0 HE2 LYS A 725 2.444 3.890 -2.810 1.00 0.00 H new ATOM 0 HE3 LYS A 725 0.971 2.975 -3.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 725 2.027 3.539 -5.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 725 0.518 4.310 -5.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 725 1.945 5.196 -4.794 1.00 0.00 H new ATOM 580 N ASP A 726 2.316 2.904 2.459 1.00 0.00 N ATOM 581 CA ASP A 726 3.091 2.952 3.693 1.00 0.00 C ATOM 582 C ASP A 726 2.802 1.732 4.563 1.00 0.00 C ATOM 583 O ASP A 726 1.696 1.193 4.545 1.00 0.00 O ATOM 584 CB ASP A 726 2.777 4.233 4.468 1.00 0.00 C ATOM 585 CG ASP A 726 3.912 4.648 5.384 1.00 0.00 C ATOM 586 OD1 ASP A 726 5.082 4.550 4.960 1.00 0.00 O ATOM 587 OD2 ASP A 726 3.629 5.069 6.526 1.00 0.00 O ATOM 0 H ASP A 726 1.371 2.537 2.568 1.00 0.00 H new ATOM 0 HA ASP A 726 4.149 2.946 3.430 1.00 0.00 H new ATOM 0 HB2 ASP A 726 2.569 5.039 3.764 1.00 0.00 H new ATOM 0 HB3 ASP A 726 1.873 4.085 5.059 1.00 0.00 H new ATOM 592 N ALA A 727 3.804 1.303 5.323 1.00 0.00 N ATOM 593 CA ALA A 727 3.658 0.149 6.201 1.00 0.00 C ATOM 594 C ALA A 727 3.774 0.554 7.666 1.00 0.00 C ATOM 595 O ALA A 727 4.808 1.063 8.100 1.00 0.00 O ATOM 596 CB ALA A 727 4.697 -0.909 5.859 1.00 0.00 C ATOM 0 H ALA A 727 4.726 1.738 5.348 1.00 0.00 H new ATOM 0 HA ALA A 727 2.664 -0.270 6.046 1.00 0.00 H new ATOM 0 HB1 ALA A 727 4.576 -1.765 6.523 1.00 0.00 H new ATOM 0 HB2 ALA A 727 4.564 -1.229 4.826 1.00 0.00 H new ATOM 0 HB3 ALA A 727 5.696 -0.491 5.984 1.00 0.00 H new ATOM 602 N THR A 728 2.707 0.326 8.425 1.00 0.00 N ATOM 603 CA THR A 728 2.690 0.669 9.842 1.00 0.00 C ATOM 604 C THR A 728 2.878 -0.570 10.710 1.00 0.00 C ATOM 605 O THR A 728 2.798 -1.697 10.224 1.00 0.00 O ATOM 606 CB THR A 728 1.372 1.363 10.235 1.00 0.00 C ATOM 607 OG1 THR A 728 0.868 2.120 9.130 1.00 0.00 O ATOM 608 CG2 THR A 728 1.579 2.278 11.432 1.00 0.00 C ATOM 0 H THR A 728 1.843 -0.095 8.082 1.00 0.00 H new ATOM 0 HA THR A 728 3.519 1.356 10.012 1.00 0.00 H new ATOM 0 HB THR A 728 0.649 0.594 10.507 1.00 0.00 H new ATOM 0 HG1 THR A 728 0.029 2.556 9.388 1.00 0.00 H new ATOM 0 HG21 THR A 728 0.635 2.757 11.691 1.00 0.00 H new ATOM 0 HG22 THR A 728 1.934 1.693 12.280 1.00 0.00 H new ATOM 0 HG23 THR A 728 2.317 3.041 11.184 1.00 0.00 H new ATOM 616 N GLU A 729 3.128 -0.352 11.998 1.00 0.00 N ATOM 617 CA GLU A 729 3.327 -1.452 12.933 1.00 0.00 C ATOM 618 C GLU A 729 2.049 -2.271 13.091 1.00 0.00 C ATOM 619 O GLU A 729 2.086 -3.501 13.119 1.00 0.00 O ATOM 620 CB GLU A 729 3.776 -0.919 14.295 1.00 0.00 C ATOM 621 CG GLU A 729 2.763 0.005 14.950 1.00 0.00 C ATOM 622 CD GLU A 729 3.286 0.632 16.228 1.00 0.00 C ATOM 623 OE1 GLU A 729 3.312 -0.064 17.264 1.00 0.00 O ATOM 624 OE2 GLU A 729 3.670 1.820 16.190 1.00 0.00 O ATOM 0 H GLU A 729 3.197 0.576 12.416 1.00 0.00 H new ATOM 0 HA GLU A 729 4.105 -2.100 12.530 1.00 0.00 H new ATOM 0 HB2 GLU A 729 3.970 -1.761 14.959 1.00 0.00 H new ATOM 0 HB3 GLU A 729 4.718 -0.384 14.174 1.00 0.00 H new ATOM 0 HG2 GLU A 729 2.489 0.793 14.249 1.00 0.00 H new ATOM 0 HG3 GLU A 729 1.855 -0.556 15.170 1.00 0.00 H new ATOM 631 N SER A 730 0.919 -1.578 13.195 1.00 0.00 N ATOM 632 CA SER A 730 -0.371 -2.239 13.355 1.00 0.00 C ATOM 633 C SER A 730 -1.351 -1.785 12.278 1.00 0.00 C ATOM 634 O SER A 730 -2.565 -1.932 12.424 1.00 0.00 O ATOM 635 CB SER A 730 -0.948 -1.949 14.742 1.00 0.00 C ATOM 636 OG SER A 730 -0.153 -2.536 15.758 1.00 0.00 O ATOM 0 H SER A 730 0.871 -0.559 13.171 1.00 0.00 H new ATOM 0 HA SER A 730 -0.217 -3.313 13.251 1.00 0.00 H new ATOM 0 HB2 SER A 730 -1.005 -0.872 14.898 1.00 0.00 H new ATOM 0 HB3 SER A 730 -1.966 -2.335 14.804 1.00 0.00 H new ATOM 0 HG SER A 730 -0.542 -2.335 16.635 1.00 0.00 H new ATOM 642 N THR A 731 -0.816 -1.231 11.194 1.00 0.00 N ATOM 643 CA THR A 731 -1.641 -0.754 10.092 1.00 0.00 C ATOM 644 C THR A 731 -0.827 -0.626 8.810 1.00 0.00 C ATOM 645 O THR A 731 0.392 -0.790 8.819 1.00 0.00 O ATOM 646 CB THR A 731 -2.280 0.609 10.419 1.00 0.00 C ATOM 647 OG1 THR A 731 -1.430 1.350 11.301 1.00 0.00 O ATOM 648 CG2 THR A 731 -3.648 0.427 11.060 1.00 0.00 C ATOM 0 H THR A 731 0.186 -1.102 11.056 1.00 0.00 H new ATOM 0 HA THR A 731 -2.430 -1.492 9.945 1.00 0.00 H new ATOM 0 HB THR A 731 -2.404 1.159 9.486 1.00 0.00 H new ATOM 0 HG1 THR A 731 -1.843 2.216 11.502 1.00 0.00 H new ATOM 0 HG21 THR A 731 -4.079 1.403 11.282 1.00 0.00 H new ATOM 0 HG22 THR A 731 -4.302 -0.111 10.374 1.00 0.00 H new ATOM 0 HG23 THR A 731 -3.544 -0.142 11.984 1.00 0.00 H new ATOM 656 N ALA A 732 -1.509 -0.333 7.708 1.00 0.00 N ATOM 657 CA ALA A 732 -0.848 -0.181 6.418 1.00 0.00 C ATOM 658 C ALA A 732 -1.607 0.794 5.524 1.00 0.00 C ATOM 659 O ALA A 732 -2.763 0.559 5.174 1.00 0.00 O ATOM 660 CB ALA A 732 -0.712 -1.532 5.732 1.00 0.00 C ATOM 0 H ALA A 732 -2.519 -0.196 7.683 1.00 0.00 H new ATOM 0 HA ALA A 732 0.147 0.227 6.594 1.00 0.00 H new ATOM 0 HB1 ALA A 732 -0.217 -1.403 4.770 1.00 0.00 H new ATOM 0 HB2 ALA A 732 -0.121 -2.200 6.358 1.00 0.00 H new ATOM 0 HB3 ALA A 732 -1.701 -1.962 5.576 1.00 0.00 H new ATOM 666 N ARG A 733 -0.948 1.889 5.158 1.00 0.00 N ATOM 667 CA ARG A 733 -1.562 2.901 4.306 1.00 0.00 C ATOM 668 C ARG A 733 -1.610 2.433 2.855 1.00 0.00 C ATOM 669 O ARG A 733 -0.607 2.480 2.142 1.00 0.00 O ATOM 670 CB ARG A 733 -0.788 4.217 4.403 1.00 0.00 C ATOM 671 CG ARG A 733 -0.528 4.666 5.832 1.00 0.00 C ATOM 672 CD ARG A 733 -1.797 5.181 6.494 1.00 0.00 C ATOM 673 NE ARG A 733 -1.509 5.964 7.693 1.00 0.00 N ATOM 674 CZ ARG A 733 -2.402 6.744 8.292 1.00 0.00 C ATOM 675 NH1 ARG A 733 -3.632 6.843 7.808 1.00 0.00 N ATOM 676 NH2 ARG A 733 -2.065 7.426 9.380 1.00 0.00 N ATOM 0 H ARG A 733 0.010 2.098 5.438 1.00 0.00 H new ATOM 0 HA ARG A 733 -2.583 3.061 4.652 1.00 0.00 H new ATOM 0 HB2 ARG A 733 0.165 4.107 3.886 1.00 0.00 H new ATOM 0 HB3 ARG A 733 -1.345 4.996 3.882 1.00 0.00 H new ATOM 0 HG2 ARG A 733 -0.128 3.833 6.409 1.00 0.00 H new ATOM 0 HG3 ARG A 733 0.230 5.450 5.836 1.00 0.00 H new ATOM 0 HD2 ARG A 733 -2.353 5.795 5.785 1.00 0.00 H new ATOM 0 HD3 ARG A 733 -2.437 4.338 6.756 1.00 0.00 H new ATOM 0 HE ARG A 733 -0.572 5.909 8.092 1.00 0.00 H new ATOM 0 HH11 ARG A 733 -3.895 6.319 6.973 1.00 0.00 H new ATOM 0 HH12 ARG A 733 -4.315 7.443 8.270 1.00 0.00 H new ATOM 0 HH21 ARG A 733 -1.120 7.351 9.756 1.00 0.00 H new ATOM 0 HH22 ARG A 733 -2.751 8.025 9.839 1.00 0.00 H new ATOM 690 N VAL A 734 -2.783 1.980 2.423 1.00 0.00 N ATOM 691 CA VAL A 734 -2.963 1.504 1.057 1.00 0.00 C ATOM 692 C VAL A 734 -3.796 2.484 0.238 1.00 0.00 C ATOM 693 O VAL A 734 -4.753 3.070 0.742 1.00 0.00 O ATOM 694 CB VAL A 734 -3.642 0.121 1.029 1.00 0.00 C ATOM 695 CG1 VAL A 734 -3.939 -0.299 -0.402 1.00 0.00 C ATOM 696 CG2 VAL A 734 -2.772 -0.913 1.728 1.00 0.00 C ATOM 0 H VAL A 734 -3.623 1.933 3.000 1.00 0.00 H new ATOM 0 HA VAL A 734 -1.969 1.421 0.617 1.00 0.00 H new ATOM 0 HB VAL A 734 -4.588 0.189 1.566 1.00 0.00 H new ATOM 0 HG11 VAL A 734 -4.418 -1.278 -0.402 1.00 0.00 H new ATOM 0 HG12 VAL A 734 -4.604 0.430 -0.865 1.00 0.00 H new ATOM 0 HG13 VAL A 734 -3.008 -0.351 -0.967 1.00 0.00 H new ATOM 0 HG21 VAL A 734 -3.266 -1.884 1.699 1.00 0.00 H new ATOM 0 HG22 VAL A 734 -1.809 -0.981 1.221 1.00 0.00 H new ATOM 0 HG23 VAL A 734 -2.616 -0.616 2.765 1.00 0.00 H new ATOM 706 N GLU A 735 -3.425 2.655 -1.027 1.00 0.00 N ATOM 707 CA GLU A 735 -4.139 3.565 -1.915 1.00 0.00 C ATOM 708 C GLU A 735 -5.045 2.793 -2.870 1.00 0.00 C ATOM 709 O GLU A 735 -4.577 2.190 -3.837 1.00 0.00 O ATOM 710 CB GLU A 735 -3.148 4.417 -2.711 1.00 0.00 C ATOM 711 CG GLU A 735 -3.795 5.214 -3.831 1.00 0.00 C ATOM 712 CD GLU A 735 -2.786 5.726 -4.841 1.00 0.00 C ATOM 713 OE1 GLU A 735 -2.254 4.905 -5.617 1.00 0.00 O ATOM 714 OE2 GLU A 735 -2.529 6.948 -4.855 1.00 0.00 O ATOM 0 H GLU A 735 -2.635 2.176 -1.459 1.00 0.00 H new ATOM 0 HA GLU A 735 -4.759 4.219 -1.302 1.00 0.00 H new ATOM 0 HB2 GLU A 735 -2.644 5.104 -2.031 1.00 0.00 H new ATOM 0 HB3 GLU A 735 -2.381 3.768 -3.134 1.00 0.00 H new ATOM 0 HG2 GLU A 735 -4.528 4.589 -4.340 1.00 0.00 H new ATOM 0 HG3 GLU A 735 -4.337 6.058 -3.405 1.00 0.00 H new ATOM 721 N LEU A 736 -6.344 2.817 -2.592 1.00 0.00 N ATOM 722 CA LEU A 736 -7.317 2.119 -3.425 1.00 0.00 C ATOM 723 C LEU A 736 -7.148 2.498 -4.893 1.00 0.00 C ATOM 724 O LEU A 736 -6.573 3.538 -5.214 1.00 0.00 O ATOM 725 CB LEU A 736 -8.739 2.444 -2.963 1.00 0.00 C ATOM 726 CG LEU A 736 -9.190 1.779 -1.662 1.00 0.00 C ATOM 727 CD1 LEU A 736 -10.426 2.471 -1.109 1.00 0.00 C ATOM 728 CD2 LEU A 736 -9.462 0.298 -1.886 1.00 0.00 C ATOM 0 H LEU A 736 -6.748 3.312 -1.797 1.00 0.00 H new ATOM 0 HA LEU A 736 -7.144 1.048 -3.323 1.00 0.00 H new ATOM 0 HB2 LEU A 736 -8.823 3.524 -2.844 1.00 0.00 H new ATOM 0 HB3 LEU A 736 -9.431 2.156 -3.754 1.00 0.00 H new ATOM 0 HG LEU A 736 -8.387 1.875 -0.931 1.00 0.00 H new ATOM 0 HD11 LEU A 736 -10.732 1.984 -0.183 1.00 0.00 H new ATOM 0 HD12 LEU A 736 -10.198 3.518 -0.910 1.00 0.00 H new ATOM 0 HD13 LEU A 736 -11.235 2.408 -1.837 1.00 0.00 H new ATOM 0 HD21 LEU A 736 -9.782 -0.159 -0.949 1.00 0.00 H new ATOM 0 HD22 LEU A 736 -10.247 0.181 -2.633 1.00 0.00 H new ATOM 0 HD23 LEU A 736 -8.552 -0.190 -2.236 1.00 0.00 H new ATOM 740 N HIS A 737 -7.655 1.648 -5.780 1.00 0.00 N ATOM 741 CA HIS A 737 -7.563 1.895 -7.215 1.00 0.00 C ATOM 742 C HIS A 737 -8.784 2.662 -7.713 1.00 0.00 C ATOM 743 O HIS A 737 -8.661 3.602 -8.498 1.00 0.00 O ATOM 744 CB HIS A 737 -7.431 0.574 -7.973 1.00 0.00 C ATOM 745 CG HIS A 737 -6.038 0.023 -7.979 1.00 0.00 C ATOM 746 ND1 HIS A 737 -5.587 -0.872 -8.925 1.00 0.00 N ATOM 747 CD2 HIS A 737 -4.994 0.248 -7.147 1.00 0.00 C ATOM 748 CE1 HIS A 737 -4.326 -1.176 -8.674 1.00 0.00 C ATOM 749 NE2 HIS A 737 -3.942 -0.510 -7.601 1.00 0.00 N ATOM 0 H HIS A 737 -8.134 0.782 -5.531 1.00 0.00 H new ATOM 0 HA HIS A 737 -6.676 2.501 -7.399 1.00 0.00 H new ATOM 0 HB2 HIS A 737 -8.101 -0.160 -7.526 1.00 0.00 H new ATOM 0 HB3 HIS A 737 -7.759 0.721 -9.002 1.00 0.00 H new ATOM 0 HD1 HIS A 737 -6.140 -1.242 -9.698 1.00 0.00 H new ATOM 0 HD2 HIS A 737 -4.989 0.901 -6.287 1.00 0.00 H new ATOM 0 HE1 HIS A 737 -3.713 -1.854 -9.249 1.00 0.00 H new ATOM 757 N SER A 738 -9.962 2.253 -7.253 1.00 0.00 N ATOM 758 CA SER A 738 -11.206 2.899 -7.656 1.00 0.00 C ATOM 759 C SER A 738 -11.346 4.268 -6.997 1.00 0.00 C ATOM 760 O SER A 738 -11.270 5.302 -7.662 1.00 0.00 O ATOM 761 CB SER A 738 -12.404 2.020 -7.291 1.00 0.00 C ATOM 762 OG SER A 738 -12.335 0.766 -7.947 1.00 0.00 O ATOM 0 H SER A 738 -10.081 1.478 -6.601 1.00 0.00 H new ATOM 0 HA SER A 738 -11.181 3.036 -8.737 1.00 0.00 H new ATOM 0 HB2 SER A 738 -12.432 1.868 -6.212 1.00 0.00 H new ATOM 0 HB3 SER A 738 -13.329 2.527 -7.566 1.00 0.00 H new ATOM 0 HG SER A 738 -13.111 0.222 -7.696 1.00 0.00 H new ATOM 768 N THR A 739 -11.551 4.267 -5.684 1.00 0.00 N ATOM 769 CA THR A 739 -11.703 5.507 -4.933 1.00 0.00 C ATOM 770 C THR A 739 -10.412 6.318 -4.943 1.00 0.00 C ATOM 771 O THR A 739 -10.381 7.459 -4.480 1.00 0.00 O ATOM 772 CB THR A 739 -12.113 5.234 -3.474 1.00 0.00 C ATOM 773 OG1 THR A 739 -11.042 4.589 -2.777 1.00 0.00 O ATOM 774 CG2 THR A 739 -13.360 4.364 -3.416 1.00 0.00 C ATOM 0 H THR A 739 -11.616 3.421 -5.118 1.00 0.00 H new ATOM 0 HA THR A 739 -12.491 6.078 -5.423 1.00 0.00 H new ATOM 0 HB THR A 739 -12.333 6.189 -2.997 1.00 0.00 H new ATOM 0 HG1 THR A 739 -10.282 5.203 -2.705 1.00 0.00 H new ATOM 0 HG21 THR A 739 -13.630 4.185 -2.375 1.00 0.00 H new ATOM 0 HG22 THR A 739 -14.181 4.871 -3.922 1.00 0.00 H new ATOM 0 HG23 THR A 739 -13.163 3.412 -3.909 1.00 0.00 H new ATOM 782 N CYS A 740 -9.350 5.722 -5.474 1.00 0.00 N ATOM 783 CA CYS A 740 -8.055 6.390 -5.544 1.00 0.00 C ATOM 784 C CYS A 740 -7.778 7.175 -4.266 1.00 0.00 C ATOM 785 O CYS A 740 -7.373 8.336 -4.316 1.00 0.00 O ATOM 786 CB CYS A 740 -8.004 7.325 -6.753 1.00 0.00 C ATOM 787 SG CYS A 740 -9.142 8.727 -6.649 1.00 0.00 S ATOM 0 H CYS A 740 -9.360 4.779 -5.862 1.00 0.00 H new ATOM 0 HA CYS A 740 -7.286 5.626 -5.653 1.00 0.00 H new ATOM 0 HB2 CYS A 740 -6.988 7.703 -6.864 1.00 0.00 H new ATOM 0 HB3 CYS A 740 -8.231 6.752 -7.652 1.00 0.00 H new ATOM 0 HG CYS A 740 -9.925 8.575 -5.623 1.00 0.00 H new ATOM 793 N GLN A 741 -8.001 6.534 -3.123 1.00 0.00 N ATOM 794 CA GLN A 741 -7.778 7.174 -1.832 1.00 0.00 C ATOM 795 C GLN A 741 -6.831 6.346 -0.971 1.00 0.00 C ATOM 796 O GLN A 741 -6.798 5.118 -1.067 1.00 0.00 O ATOM 797 CB GLN A 741 -9.107 7.375 -1.102 1.00 0.00 C ATOM 798 CG GLN A 741 -9.912 8.556 -1.619 1.00 0.00 C ATOM 799 CD GLN A 741 -10.773 9.190 -0.544 1.00 0.00 C ATOM 800 OE1 GLN A 741 -10.274 9.906 0.325 1.00 0.00 O ATOM 801 NE2 GLN A 741 -12.074 8.931 -0.597 1.00 0.00 N ATOM 0 H GLN A 741 -8.336 5.572 -3.065 1.00 0.00 H new ATOM 0 HA GLN A 741 -7.320 8.147 -2.011 1.00 0.00 H new ATOM 0 HB2 GLN A 741 -9.705 6.469 -1.197 1.00 0.00 H new ATOM 0 HB3 GLN A 741 -8.911 7.517 -0.039 1.00 0.00 H new ATOM 0 HG2 GLN A 741 -9.232 9.306 -2.023 1.00 0.00 H new ATOM 0 HG3 GLN A 741 -10.548 8.226 -2.441 1.00 0.00 H new ATOM 0 HE21 GLN A 741 -12.445 8.332 -1.335 1.00 0.00 H new ATOM 0 HE22 GLN A 741 -12.702 9.331 0.100 1.00 0.00 H new ATOM 810 N THR A 742 -6.060 7.025 -0.127 1.00 0.00 N ATOM 811 CA THR A 742 -5.111 6.352 0.751 1.00 0.00 C ATOM 812 C THR A 742 -5.723 6.086 2.122 1.00 0.00 C ATOM 813 O THR A 742 -5.868 6.999 2.935 1.00 0.00 O ATOM 814 CB THR A 742 -3.824 7.181 0.928 1.00 0.00 C ATOM 815 OG1 THR A 742 -3.314 7.572 -0.351 1.00 0.00 O ATOM 816 CG2 THR A 742 -2.767 6.386 1.680 1.00 0.00 C ATOM 0 H THR A 742 -6.074 8.041 -0.033 1.00 0.00 H new ATOM 0 HA THR A 742 -4.861 5.403 0.277 1.00 0.00 H new ATOM 0 HB THR A 742 -4.068 8.070 1.509 1.00 0.00 H new ATOM 0 HG1 THR A 742 -2.497 8.100 -0.230 1.00 0.00 H new ATOM 0 HG21 THR A 742 -1.868 6.992 1.793 1.00 0.00 H new ATOM 0 HG22 THR A 742 -3.148 6.115 2.665 1.00 0.00 H new ATOM 0 HG23 THR A 742 -2.527 5.481 1.122 1.00 0.00 H new ATOM 824 N ILE A 743 -6.079 4.831 2.372 1.00 0.00 N ATOM 825 CA ILE A 743 -6.674 4.445 3.646 1.00 0.00 C ATOM 826 C ILE A 743 -5.764 3.490 4.411 1.00 0.00 C ATOM 827 O ILE A 743 -5.054 2.682 3.814 1.00 0.00 O ATOM 828 CB ILE A 743 -8.048 3.779 3.446 1.00 0.00 C ATOM 829 CG1 ILE A 743 -7.903 2.498 2.622 1.00 0.00 C ATOM 830 CG2 ILE A 743 -9.012 4.743 2.772 1.00 0.00 C ATOM 831 CD1 ILE A 743 -8.938 1.446 2.953 1.00 0.00 C ATOM 0 H ILE A 743 -5.966 4.064 1.709 1.00 0.00 H new ATOM 0 HA ILE A 743 -6.804 5.360 4.224 1.00 0.00 H new ATOM 0 HB ILE A 743 -8.453 3.516 4.423 1.00 0.00 H new ATOM 0 HG12 ILE A 743 -7.975 2.747 1.563 1.00 0.00 H new ATOM 0 HG13 ILE A 743 -6.909 2.082 2.785 1.00 0.00 H new ATOM 0 HG21 ILE A 743 -9.978 4.257 2.638 1.00 0.00 H new ATOM 0 HG22 ILE A 743 -9.135 5.629 3.394 1.00 0.00 H new ATOM 0 HG23 ILE A 743 -8.615 5.035 1.800 1.00 0.00 H new ATOM 0 HD11 ILE A 743 -8.774 0.566 2.331 1.00 0.00 H new ATOM 0 HD12 ILE A 743 -8.852 1.169 4.004 1.00 0.00 H new ATOM 0 HD13 ILE A 743 -9.935 1.844 2.763 1.00 0.00 H new ATOM 843 N SER A 744 -5.793 3.589 5.736 1.00 0.00 N ATOM 844 CA SER A 744 -4.969 2.735 6.584 1.00 0.00 C ATOM 845 C SER A 744 -5.753 1.511 7.047 1.00 0.00 C ATOM 846 O SER A 744 -6.887 1.625 7.513 1.00 0.00 O ATOM 847 CB SER A 744 -4.463 3.519 7.796 1.00 0.00 C ATOM 848 OG SER A 744 -3.274 2.948 8.313 1.00 0.00 O ATOM 0 H SER A 744 -6.378 4.252 6.246 1.00 0.00 H new ATOM 0 HA SER A 744 -4.115 2.397 5.997 1.00 0.00 H new ATOM 0 HB2 SER A 744 -4.279 4.555 7.512 1.00 0.00 H new ATOM 0 HB3 SER A 744 -5.230 3.533 8.570 1.00 0.00 H new ATOM 0 HG SER A 744 -2.970 3.469 9.086 1.00 0.00 H new ATOM 854 N VAL A 745 -5.140 0.339 6.916 1.00 0.00 N ATOM 855 CA VAL A 745 -5.779 -0.908 7.322 1.00 0.00 C ATOM 856 C VAL A 745 -4.768 -1.867 7.939 1.00 0.00 C ATOM 857 O VAL A 745 -3.599 -1.887 7.553 1.00 0.00 O ATOM 858 CB VAL A 745 -6.466 -1.600 6.130 1.00 0.00 C ATOM 859 CG1 VAL A 745 -7.227 -2.833 6.594 1.00 0.00 C ATOM 860 CG2 VAL A 745 -7.392 -0.630 5.412 1.00 0.00 C ATOM 0 H VAL A 745 -4.202 0.227 6.532 1.00 0.00 H new ATOM 0 HA VAL A 745 -6.532 -0.651 8.066 1.00 0.00 H new ATOM 0 HB VAL A 745 -5.698 -1.921 5.426 1.00 0.00 H new ATOM 0 HG11 VAL A 745 -7.706 -3.309 5.738 1.00 0.00 H new ATOM 0 HG12 VAL A 745 -6.534 -3.535 7.058 1.00 0.00 H new ATOM 0 HG13 VAL A 745 -7.987 -2.540 7.318 1.00 0.00 H new ATOM 0 HG21 VAL A 745 -7.869 -1.136 4.573 1.00 0.00 H new ATOM 0 HG22 VAL A 745 -8.156 -0.277 6.104 1.00 0.00 H new ATOM 0 HG23 VAL A 745 -6.815 0.219 5.044 1.00 0.00 H new ATOM 870 N ASP A 746 -5.226 -2.662 8.900 1.00 0.00 N ATOM 871 CA ASP A 746 -4.362 -3.627 9.571 1.00 0.00 C ATOM 872 C ASP A 746 -3.537 -4.414 8.558 1.00 0.00 C ATOM 873 O ASP A 746 -4.078 -4.983 7.610 1.00 0.00 O ATOM 874 CB ASP A 746 -5.196 -4.585 10.423 1.00 0.00 C ATOM 875 CG ASP A 746 -4.382 -5.750 10.950 1.00 0.00 C ATOM 876 OD1 ASP A 746 -3.168 -5.569 11.183 1.00 0.00 O ATOM 877 OD2 ASP A 746 -4.958 -6.843 11.129 1.00 0.00 O ATOM 0 H ASP A 746 -6.190 -2.657 9.232 1.00 0.00 H new ATOM 0 HA ASP A 746 -3.680 -3.077 10.219 1.00 0.00 H new ATOM 0 HB2 ASP A 746 -5.628 -4.039 11.262 1.00 0.00 H new ATOM 0 HB3 ASP A 746 -6.027 -4.965 9.829 1.00 0.00 H new ATOM 882 N ARG A 747 -2.224 -4.441 8.766 1.00 0.00 N ATOM 883 CA ARG A 747 -1.324 -5.157 7.869 1.00 0.00 C ATOM 884 C ARG A 747 -1.832 -6.571 7.603 1.00 0.00 C ATOM 885 O ARG A 747 -1.707 -7.086 6.492 1.00 0.00 O ATOM 886 CB ARG A 747 0.084 -5.213 8.464 1.00 0.00 C ATOM 887 CG ARG A 747 0.716 -3.845 8.664 1.00 0.00 C ATOM 888 CD ARG A 747 2.235 -3.924 8.634 1.00 0.00 C ATOM 889 NE ARG A 747 2.790 -4.290 9.934 1.00 0.00 N ATOM 890 CZ ARG A 747 4.016 -4.774 10.100 1.00 0.00 C ATOM 891 NH1 ARG A 747 4.810 -4.949 9.053 1.00 0.00 N ATOM 892 NH2 ARG A 747 4.449 -5.084 11.315 1.00 0.00 N ATOM 0 H ARG A 747 -1.760 -3.976 9.547 1.00 0.00 H new ATOM 0 HA ARG A 747 -1.290 -4.618 6.922 1.00 0.00 H new ATOM 0 HB2 ARG A 747 0.044 -5.729 9.423 1.00 0.00 H new ATOM 0 HB3 ARG A 747 0.722 -5.807 7.810 1.00 0.00 H new ATOM 0 HG2 ARG A 747 0.370 -3.166 7.885 1.00 0.00 H new ATOM 0 HG3 ARG A 747 0.391 -3.428 9.617 1.00 0.00 H new ATOM 0 HD2 ARG A 747 2.545 -4.656 7.888 1.00 0.00 H new ATOM 0 HD3 ARG A 747 2.642 -2.961 8.324 1.00 0.00 H new ATOM 0 HE ARG A 747 2.204 -4.167 10.760 1.00 0.00 H new ATOM 0 HH11 ARG A 747 4.480 -4.712 8.117 1.00 0.00 H new ATOM 0 HH12 ARG A 747 5.751 -5.321 9.183 1.00 0.00 H new ATOM 0 HH21 ARG A 747 3.840 -4.951 12.123 1.00 0.00 H new ATOM 0 HH22 ARG A 747 5.390 -5.456 11.442 1.00 0.00 H new ATOM 906 N GLN A 748 -2.405 -7.191 8.629 1.00 0.00 N ATOM 907 CA GLN A 748 -2.931 -8.545 8.506 1.00 0.00 C ATOM 908 C GLN A 748 -4.241 -8.552 7.726 1.00 0.00 C ATOM 909 O GLN A 748 -4.453 -9.396 6.855 1.00 0.00 O ATOM 910 CB GLN A 748 -3.144 -9.161 9.890 1.00 0.00 C ATOM 911 CG GLN A 748 -1.913 -9.862 10.440 1.00 0.00 C ATOM 912 CD GLN A 748 -2.222 -10.718 11.653 1.00 0.00 C ATOM 913 OE1 GLN A 748 -3.332 -11.232 11.797 1.00 0.00 O ATOM 914 NE2 GLN A 748 -1.240 -10.876 12.532 1.00 0.00 N ATOM 0 H GLN A 748 -2.517 -6.777 9.555 1.00 0.00 H new ATOM 0 HA GLN A 748 -2.201 -9.142 7.959 1.00 0.00 H new ATOM 0 HB2 GLN A 748 -3.446 -8.377 10.585 1.00 0.00 H new ATOM 0 HB3 GLN A 748 -3.966 -9.875 9.838 1.00 0.00 H new ATOM 0 HG2 GLN A 748 -1.477 -10.487 9.661 1.00 0.00 H new ATOM 0 HG3 GLN A 748 -1.164 -9.117 10.707 1.00 0.00 H new ATOM 0 HE21 GLN A 748 -0.336 -10.431 12.372 1.00 0.00 H new ATOM 0 HE22 GLN A 748 -1.389 -11.442 13.367 1.00 0.00 H new ATOM 923 N ARG A 749 -5.118 -7.605 8.044 1.00 0.00 N ATOM 924 CA ARG A 749 -6.409 -7.503 7.374 1.00 0.00 C ATOM 925 C ARG A 749 -6.231 -7.405 5.862 1.00 0.00 C ATOM 926 O ARG A 749 -7.184 -7.576 5.101 1.00 0.00 O ATOM 927 CB ARG A 749 -7.179 -6.284 7.888 1.00 0.00 C ATOM 928 CG ARG A 749 -7.799 -6.490 9.260 1.00 0.00 C ATOM 929 CD ARG A 749 -8.567 -5.258 9.714 1.00 0.00 C ATOM 930 NE ARG A 749 -9.039 -5.384 11.090 1.00 0.00 N ATOM 931 CZ ARG A 749 -10.032 -4.661 11.596 1.00 0.00 C ATOM 932 NH1 ARG A 749 -10.655 -3.765 10.842 1.00 0.00 N ATOM 933 NH2 ARG A 749 -10.404 -4.833 12.857 1.00 0.00 N ATOM 0 H ARG A 749 -4.958 -6.898 8.761 1.00 0.00 H new ATOM 0 HA ARG A 749 -6.978 -8.405 7.597 1.00 0.00 H new ATOM 0 HB2 ARG A 749 -6.504 -5.429 7.928 1.00 0.00 H new ATOM 0 HB3 ARG A 749 -7.966 -6.036 7.176 1.00 0.00 H new ATOM 0 HG2 ARG A 749 -8.470 -7.349 9.232 1.00 0.00 H new ATOM 0 HG3 ARG A 749 -7.017 -6.720 9.983 1.00 0.00 H new ATOM 0 HD2 ARG A 749 -7.927 -4.380 9.629 1.00 0.00 H new ATOM 0 HD3 ARG A 749 -9.418 -5.097 9.052 1.00 0.00 H new ATOM 0 HE ARG A 749 -8.581 -6.065 11.696 1.00 0.00 H new ATOM 0 HH11 ARG A 749 -10.372 -3.630 9.871 1.00 0.00 H new ATOM 0 HH12 ARG A 749 -11.417 -3.211 11.233 1.00 0.00 H new ATOM 0 HH21 ARG A 749 -9.928 -5.521 13.440 1.00 0.00 H new ATOM 0 HH22 ARG A 749 -11.167 -4.277 13.244 1.00 0.00 H new ATOM 947 N LEU A 750 -5.004 -7.129 5.433 1.00 0.00 N ATOM 948 CA LEU A 750 -4.700 -7.007 4.011 1.00 0.00 C ATOM 949 C LEU A 750 -4.226 -8.340 3.440 1.00 0.00 C ATOM 950 O LEU A 750 -3.325 -8.977 3.987 1.00 0.00 O ATOM 951 CB LEU A 750 -3.632 -5.935 3.788 1.00 0.00 C ATOM 952 CG LEU A 750 -3.994 -4.521 4.244 1.00 0.00 C ATOM 953 CD1 LEU A 750 -2.743 -3.669 4.386 1.00 0.00 C ATOM 954 CD2 LEU A 750 -4.970 -3.880 3.268 1.00 0.00 C ATOM 0 H LEU A 750 -4.204 -6.986 6.049 1.00 0.00 H new ATOM 0 HA LEU A 750 -5.613 -6.714 3.493 1.00 0.00 H new ATOM 0 HB2 LEU A 750 -2.724 -6.241 4.308 1.00 0.00 H new ATOM 0 HB3 LEU A 750 -3.395 -5.903 2.725 1.00 0.00 H new ATOM 0 HG LEU A 750 -4.476 -4.587 5.219 1.00 0.00 H new ATOM 0 HD11 LEU A 750 -3.021 -2.666 4.711 1.00 0.00 H new ATOM 0 HD12 LEU A 750 -2.078 -4.119 5.124 1.00 0.00 H new ATOM 0 HD13 LEU A 750 -2.232 -3.610 3.425 1.00 0.00 H new ATOM 0 HD21 LEU A 750 -5.217 -2.874 3.608 1.00 0.00 H new ATOM 0 HD22 LEU A 750 -4.514 -3.827 2.279 1.00 0.00 H new ATOM 0 HD23 LEU A 750 -5.879 -4.479 3.217 1.00 0.00 H new ATOM 966 N THR A 751 -4.838 -8.756 2.336 1.00 0.00 N ATOM 967 CA THR A 751 -4.479 -10.012 1.689 1.00 0.00 C ATOM 968 C THR A 751 -3.598 -9.770 0.469 1.00 0.00 C ATOM 969 O THR A 751 -4.096 -9.500 -0.625 1.00 0.00 O ATOM 970 CB THR A 751 -5.730 -10.800 1.258 1.00 0.00 C ATOM 971 OG1 THR A 751 -6.646 -10.903 2.354 1.00 0.00 O ATOM 972 CG2 THR A 751 -5.352 -12.191 0.772 1.00 0.00 C ATOM 0 H THR A 751 -5.585 -8.241 1.871 1.00 0.00 H new ATOM 0 HA THR A 751 -3.925 -10.598 2.422 1.00 0.00 H new ATOM 0 HB THR A 751 -6.206 -10.263 0.437 1.00 0.00 H new ATOM 0 HG1 THR A 751 -7.266 -11.645 2.193 1.00 0.00 H new ATOM 0 HG21 THR A 751 -6.252 -12.729 0.473 1.00 0.00 H new ATOM 0 HG22 THR A 751 -4.679 -12.108 -0.081 1.00 0.00 H new ATOM 0 HG23 THR A 751 -4.855 -12.734 1.575 1.00 0.00 H new ATOM 980 N THR A 752 -2.287 -9.868 0.662 1.00 0.00 N ATOM 981 CA THR A 752 -1.337 -9.659 -0.424 1.00 0.00 C ATOM 982 C THR A 752 -1.799 -10.352 -1.700 1.00 0.00 C ATOM 983 O THR A 752 -1.951 -11.573 -1.735 1.00 0.00 O ATOM 984 CB THR A 752 0.065 -10.177 -0.051 1.00 0.00 C ATOM 985 OG1 THR A 752 -0.044 -11.406 0.676 1.00 0.00 O ATOM 986 CG2 THR A 752 0.816 -9.152 0.786 1.00 0.00 C ATOM 0 H THR A 752 -1.858 -10.091 1.560 1.00 0.00 H new ATOM 0 HA THR A 752 -1.286 -8.584 -0.596 1.00 0.00 H new ATOM 0 HB THR A 752 0.622 -10.348 -0.972 1.00 0.00 H new ATOM 0 HG1 THR A 752 -0.716 -11.979 0.251 1.00 0.00 H new ATOM 0 HG21 THR A 752 1.803 -9.540 1.037 1.00 0.00 H new ATOM 0 HG22 THR A 752 0.923 -8.227 0.219 1.00 0.00 H new ATOM 0 HG23 THR A 752 0.260 -8.953 1.702 1.00 0.00 H new ATOM 994 N VAL A 753 -2.022 -9.565 -2.748 1.00 0.00 N ATOM 995 CA VAL A 753 -2.465 -10.104 -4.028 1.00 0.00 C ATOM 996 C VAL A 753 -1.292 -10.660 -4.827 1.00 0.00 C ATOM 997 O VAL A 753 -0.133 -10.386 -4.519 1.00 0.00 O ATOM 998 CB VAL A 753 -3.183 -9.032 -4.870 1.00 0.00 C ATOM 999 CG1 VAL A 753 -3.893 -9.669 -6.054 1.00 0.00 C ATOM 1000 CG2 VAL A 753 -4.161 -8.246 -4.010 1.00 0.00 C ATOM 0 H VAL A 753 -1.903 -8.552 -2.735 1.00 0.00 H new ATOM 0 HA VAL A 753 -3.164 -10.910 -3.806 1.00 0.00 H new ATOM 0 HB VAL A 753 -2.436 -8.338 -5.256 1.00 0.00 H new ATOM 0 HG11 VAL A 753 -4.394 -8.896 -6.637 1.00 0.00 H new ATOM 0 HG12 VAL A 753 -3.165 -10.182 -6.682 1.00 0.00 H new ATOM 0 HG13 VAL A 753 -4.630 -10.387 -5.693 1.00 0.00 H new ATOM 0 HG21 VAL A 753 -4.659 -7.493 -4.621 1.00 0.00 H new ATOM 0 HG22 VAL A 753 -4.905 -8.924 -3.592 1.00 0.00 H new ATOM 0 HG23 VAL A 753 -3.621 -7.756 -3.200 1.00 0.00 H new