USER MOD reduce.3.24.130724 H: found=0, std=0, add=464, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 463 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 832 SER OG : rot -117:sc= 0.127 USER MOD Set 1.2: A 834 SER OG : rot 180:sc= 0.126 USER MOD Single : A 794 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 796 LYS NZ :NH3+ 156:sc= 0.328 (180deg=0.126) USER MOD Single : A 797 SER OG : rot -29:sc= 0.632 USER MOD Single : A 804 SER OG : rot -53:sc= 1.06 USER MOD Single : A 805 ASN : amide:sc= -0.465 K(o=-0.47,f=-1.2) USER MOD Single : A 806 HIS : no HE2:sc= -0.616 K(o=-0.62,f=-1.8!) USER MOD Single : A 807 HIS : no HD1:sc= 0 X(o=0,f=-0.028) USER MOD Single : A 810 SER OG : rot 180:sc= 0 USER MOD Single : A 811 GLN : amide:sc= -0.0793 X(o=-0.079,f=0) USER MOD Single : A 812 SER OG : rot 107:sc= 0.92 USER MOD Single : A 815 SER OG : rot 180:sc= 0 USER MOD Single : A 816 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 818 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 820 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 823 SER OG : rot 180:sc= -0.0051 USER MOD Single : A 827 TYR OH : rot 180:sc= 0 USER MOD Single : A 828 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.375) USER MOD Single : A 833 SER OG : rot 180:sc= 0 USER MOD Single : A 835 MET CE :methyl -159:sc= -0.182 (180deg=-0.861) USER MOD Single : A 841 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 842 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 843 TYR OH : rot 180:sc= -1.07 USER MOD Single : A 846 LYS NZ :NH3+ 146:sc= -0.314 (180deg=-1.78!) USER MOD ----------------------------------------------------------------- ATOM 208 N GLU A 793 2.274 -12.081 -1.893 1.00 0.00 N ATOM 209 CA GLU A 793 1.100 -12.011 -1.031 1.00 0.00 C ATOM 210 C GLU A 793 1.347 -11.076 0.150 1.00 0.00 C ATOM 211 O GLU A 793 0.460 -10.327 0.559 1.00 0.00 O ATOM 212 CB GLU A 793 0.729 -13.405 -0.523 1.00 0.00 C ATOM 213 CG GLU A 793 -0.644 -13.472 0.124 1.00 0.00 C ATOM 214 CD GLU A 793 -0.852 -14.745 0.923 1.00 0.00 C ATOM 215 OE1 GLU A 793 -0.433 -14.783 2.098 1.00 0.00 O ATOM 216 OE2 GLU A 793 -1.433 -15.702 0.371 1.00 0.00 O ATOM 0 HA GLU A 793 0.272 -11.615 -1.619 1.00 0.00 H new ATOM 0 HB2 GLU A 793 0.763 -14.107 -1.356 1.00 0.00 H new ATOM 0 HB3 GLU A 793 1.478 -13.730 0.199 1.00 0.00 H new ATOM 0 HG2 GLU A 793 -0.775 -12.611 0.779 1.00 0.00 H new ATOM 0 HG3 GLU A 793 -1.409 -13.404 -0.649 1.00 0.00 H new ATOM 223 N LYS A 794 2.558 -11.126 0.693 1.00 0.00 N ATOM 224 CA LYS A 794 2.925 -10.284 1.826 1.00 0.00 C ATOM 225 C LYS A 794 2.746 -8.808 1.487 1.00 0.00 C ATOM 226 O LYS A 794 1.972 -8.102 2.134 1.00 0.00 O ATOM 227 CB LYS A 794 4.374 -10.553 2.239 1.00 0.00 C ATOM 228 CG LYS A 794 4.889 -9.599 3.303 1.00 0.00 C ATOM 229 CD LYS A 794 4.495 -10.054 4.698 1.00 0.00 C ATOM 230 CE LYS A 794 5.504 -11.039 5.268 1.00 0.00 C ATOM 231 NZ LYS A 794 5.073 -11.570 6.591 1.00 0.00 N ATOM 0 H LYS A 794 3.303 -11.741 0.367 1.00 0.00 H new ATOM 0 HA LYS A 794 2.266 -10.529 2.658 1.00 0.00 H new ATOM 0 HB2 LYS A 794 4.454 -11.575 2.610 1.00 0.00 H new ATOM 0 HB3 LYS A 794 5.013 -10.482 1.359 1.00 0.00 H new ATOM 0 HG2 LYS A 794 5.975 -9.529 3.235 1.00 0.00 H new ATOM 0 HG3 LYS A 794 4.493 -8.600 3.120 1.00 0.00 H new ATOM 0 HD2 LYS A 794 4.418 -9.188 5.356 1.00 0.00 H new ATOM 0 HD3 LYS A 794 3.509 -10.519 4.666 1.00 0.00 H new ATOM 0 HE2 LYS A 794 5.638 -11.866 4.571 1.00 0.00 H new ATOM 0 HE3 LYS A 794 6.472 -10.549 5.371 1.00 0.00 H new ATOM 0 HZ1 LYS A 794 5.787 -12.238 6.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 794 4.969 -10.784 7.264 1.00 0.00 H new ATOM 0 HZ3 LYS A 794 4.161 -12.060 6.488 1.00 0.00 H new ATOM 245 N ILE A 795 3.466 -8.348 0.469 1.00 0.00 N ATOM 246 CA ILE A 795 3.385 -6.956 0.044 1.00 0.00 C ATOM 247 C ILE A 795 1.945 -6.559 -0.265 1.00 0.00 C ATOM 248 O ILE A 795 1.510 -5.455 0.062 1.00 0.00 O ATOM 249 CB ILE A 795 4.255 -6.696 -1.200 1.00 0.00 C ATOM 250 CG1 ILE A 795 5.731 -6.941 -0.877 1.00 0.00 C ATOM 251 CG2 ILE A 795 4.046 -5.276 -1.705 1.00 0.00 C ATOM 252 CD1 ILE A 795 6.176 -8.365 -1.127 1.00 0.00 C ATOM 0 H ILE A 795 4.112 -8.919 -0.076 1.00 0.00 H new ATOM 0 HA ILE A 795 3.757 -6.351 0.871 1.00 0.00 H new ATOM 0 HB ILE A 795 3.955 -7.388 -1.987 1.00 0.00 H new ATOM 0 HG12 ILE A 795 6.343 -6.267 -1.477 1.00 0.00 H new ATOM 0 HG13 ILE A 795 5.912 -6.690 0.168 1.00 0.00 H new ATOM 0 HG21 ILE A 795 4.668 -5.107 -2.584 1.00 0.00 H new ATOM 0 HG22 ILE A 795 2.998 -5.134 -1.969 1.00 0.00 H new ATOM 0 HG23 ILE A 795 4.323 -4.568 -0.924 1.00 0.00 H new ATOM 0 HD11 ILE A 795 7.232 -8.465 -0.877 1.00 0.00 H new ATOM 0 HD12 ILE A 795 5.590 -9.043 -0.507 1.00 0.00 H new ATOM 0 HD13 ILE A 795 6.027 -8.614 -2.178 1.00 0.00 H new ATOM 264 N LYS A 796 1.209 -7.468 -0.897 1.00 0.00 N ATOM 265 CA LYS A 796 -0.183 -7.215 -1.248 1.00 0.00 C ATOM 266 C LYS A 796 -1.005 -6.878 -0.008 1.00 0.00 C ATOM 267 O LYS A 796 -1.763 -5.909 0.002 1.00 0.00 O ATOM 268 CB LYS A 796 -0.782 -8.435 -1.953 1.00 0.00 C ATOM 269 CG LYS A 796 -2.182 -8.198 -2.493 1.00 0.00 C ATOM 270 CD LYS A 796 -2.516 -9.164 -3.618 1.00 0.00 C ATOM 271 CE LYS A 796 -4.008 -9.454 -3.679 1.00 0.00 C ATOM 272 NZ LYS A 796 -4.723 -8.494 -4.565 1.00 0.00 N ATOM 0 H LYS A 796 1.554 -8.386 -1.176 1.00 0.00 H new ATOM 0 HA LYS A 796 -0.211 -6.361 -1.924 1.00 0.00 H new ATOM 0 HB2 LYS A 796 -0.129 -8.726 -2.776 1.00 0.00 H new ATOM 0 HB3 LYS A 796 -0.808 -9.272 -1.255 1.00 0.00 H new ATOM 0 HG2 LYS A 796 -2.908 -8.311 -1.688 1.00 0.00 H new ATOM 0 HG3 LYS A 796 -2.265 -7.173 -2.855 1.00 0.00 H new ATOM 0 HD2 LYS A 796 -2.187 -8.745 -4.569 1.00 0.00 H new ATOM 0 HD3 LYS A 796 -1.969 -10.096 -3.474 1.00 0.00 H new ATOM 0 HE2 LYS A 796 -4.166 -10.470 -4.041 1.00 0.00 H new ATOM 0 HE3 LYS A 796 -4.429 -9.405 -2.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 796 -5.604 -8.928 -4.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 796 -4.947 -7.630 -4.031 1.00 0.00 H new ATOM 0 HZ3 LYS A 796 -4.118 -8.253 -5.376 1.00 0.00 H new ATOM 286 N SER A 797 -0.847 -7.684 1.038 1.00 0.00 N ATOM 287 CA SER A 797 -1.577 -7.472 2.283 1.00 0.00 C ATOM 288 C SER A 797 -1.167 -6.154 2.934 1.00 0.00 C ATOM 289 O SER A 797 -2.013 -5.320 3.258 1.00 0.00 O ATOM 290 CB SER A 797 -1.326 -8.631 3.249 1.00 0.00 C ATOM 291 OG SER A 797 0.059 -8.801 3.493 1.00 0.00 O ATOM 0 H SER A 797 -0.221 -8.489 1.048 1.00 0.00 H new ATOM 0 HA SER A 797 -2.641 -7.427 2.050 1.00 0.00 H new ATOM 0 HB2 SER A 797 -1.844 -8.443 4.190 1.00 0.00 H new ATOM 0 HB3 SER A 797 -1.741 -9.550 2.835 1.00 0.00 H new ATOM 0 HG SER A 797 0.568 -8.511 2.707 1.00 0.00 H new ATOM 297 N ASP A 798 0.135 -5.975 3.124 1.00 0.00 N ATOM 298 CA ASP A 798 0.659 -4.759 3.736 1.00 0.00 C ATOM 299 C ASP A 798 0.143 -3.520 3.010 1.00 0.00 C ATOM 300 O ASP A 798 -0.367 -2.589 3.635 1.00 0.00 O ATOM 301 CB ASP A 798 2.188 -4.773 3.722 1.00 0.00 C ATOM 302 CG ASP A 798 2.766 -5.771 4.705 1.00 0.00 C ATOM 303 OD1 ASP A 798 2.582 -6.988 4.494 1.00 0.00 O ATOM 304 OD2 ASP A 798 3.404 -5.335 5.686 1.00 0.00 O ATOM 0 H ASP A 798 0.848 -6.656 2.863 1.00 0.00 H new ATOM 0 HA ASP A 798 0.313 -4.724 4.769 1.00 0.00 H new ATOM 0 HB2 ASP A 798 2.537 -5.013 2.718 1.00 0.00 H new ATOM 0 HB3 ASP A 798 2.560 -3.776 3.959 1.00 0.00 H new ATOM 309 N PHE A 799 0.279 -3.514 1.688 1.00 0.00 N ATOM 310 CA PHE A 799 -0.171 -2.389 0.878 1.00 0.00 C ATOM 311 C PHE A 799 -1.634 -2.065 1.163 1.00 0.00 C ATOM 312 O PHE A 799 -1.983 -0.921 1.455 1.00 0.00 O ATOM 313 CB PHE A 799 0.015 -2.698 -0.609 1.00 0.00 C ATOM 314 CG PHE A 799 0.017 -1.474 -1.480 1.00 0.00 C ATOM 315 CD1 PHE A 799 0.873 -0.418 -1.211 1.00 0.00 C ATOM 316 CD2 PHE A 799 -0.836 -1.379 -2.567 1.00 0.00 C ATOM 317 CE1 PHE A 799 0.876 0.710 -2.010 1.00 0.00 C ATOM 318 CE2 PHE A 799 -0.837 -0.254 -3.370 1.00 0.00 C ATOM 319 CZ PHE A 799 0.021 0.791 -3.092 1.00 0.00 C ATOM 0 H PHE A 799 0.698 -4.276 1.155 1.00 0.00 H new ATOM 0 HA PHE A 799 0.433 -1.520 1.140 1.00 0.00 H new ATOM 0 HB2 PHE A 799 0.955 -3.233 -0.746 1.00 0.00 H new ATOM 0 HB3 PHE A 799 -0.782 -3.365 -0.936 1.00 0.00 H new ATOM 0 HD1 PHE A 799 1.545 -0.477 -0.368 1.00 0.00 H new ATOM 0 HD2 PHE A 799 -1.509 -2.194 -2.790 1.00 0.00 H new ATOM 0 HE1 PHE A 799 1.546 1.527 -1.789 1.00 0.00 H new ATOM 0 HE2 PHE A 799 -1.508 -0.193 -4.214 1.00 0.00 H new ATOM 0 HZ PHE A 799 0.024 1.670 -3.719 1.00 0.00 H new ATOM 329 N PHE A 800 -2.487 -3.080 1.075 1.00 0.00 N ATOM 330 CA PHE A 800 -3.914 -2.904 1.321 1.00 0.00 C ATOM 331 C PHE A 800 -4.155 -2.269 2.687 1.00 0.00 C ATOM 332 O PHE A 800 -4.875 -1.278 2.804 1.00 0.00 O ATOM 333 CB PHE A 800 -4.637 -4.250 1.236 1.00 0.00 C ATOM 334 CG PHE A 800 -4.920 -4.691 -0.172 1.00 0.00 C ATOM 335 CD1 PHE A 800 -5.468 -3.811 -1.091 1.00 0.00 C ATOM 336 CD2 PHE A 800 -4.637 -5.985 -0.576 1.00 0.00 C ATOM 337 CE1 PHE A 800 -5.729 -4.213 -2.387 1.00 0.00 C ATOM 338 CE2 PHE A 800 -4.895 -6.393 -1.871 1.00 0.00 C ATOM 339 CZ PHE A 800 -5.442 -5.507 -2.777 1.00 0.00 C ATOM 0 H PHE A 800 -2.215 -4.033 0.835 1.00 0.00 H new ATOM 0 HA PHE A 800 -4.311 -2.238 0.555 1.00 0.00 H new ATOM 0 HB2 PHE A 800 -4.033 -5.010 1.732 1.00 0.00 H new ATOM 0 HB3 PHE A 800 -5.577 -4.183 1.783 1.00 0.00 H new ATOM 0 HD1 PHE A 800 -5.694 -2.798 -0.791 1.00 0.00 H new ATOM 0 HD2 PHE A 800 -4.210 -6.683 0.129 1.00 0.00 H new ATOM 0 HE1 PHE A 800 -6.156 -3.517 -3.094 1.00 0.00 H new ATOM 0 HE2 PHE A 800 -4.669 -7.405 -2.174 1.00 0.00 H new ATOM 0 HZ PHE A 800 -5.645 -5.825 -3.789 1.00 0.00 H new ATOM 349 N GLU A 801 -3.549 -2.849 3.718 1.00 0.00 N ATOM 350 CA GLU A 801 -3.699 -2.341 5.077 1.00 0.00 C ATOM 351 C GLU A 801 -3.533 -0.825 5.112 1.00 0.00 C ATOM 352 O GLU A 801 -4.438 -0.099 5.527 1.00 0.00 O ATOM 353 CB GLU A 801 -2.678 -2.999 6.007 1.00 0.00 C ATOM 354 CG GLU A 801 -3.044 -4.418 6.408 1.00 0.00 C ATOM 355 CD GLU A 801 -4.193 -4.467 7.396 1.00 0.00 C ATOM 356 OE1 GLU A 801 -4.964 -3.486 7.457 1.00 0.00 O ATOM 357 OE2 GLU A 801 -4.322 -5.484 8.108 1.00 0.00 O ATOM 0 H GLU A 801 -2.950 -3.671 3.638 1.00 0.00 H new ATOM 0 HA GLU A 801 -4.704 -2.587 5.421 1.00 0.00 H new ATOM 0 HB2 GLU A 801 -1.705 -3.009 5.515 1.00 0.00 H new ATOM 0 HB3 GLU A 801 -2.574 -2.392 6.906 1.00 0.00 H new ATOM 0 HG2 GLU A 801 -3.312 -4.986 5.517 1.00 0.00 H new ATOM 0 HG3 GLU A 801 -2.172 -4.904 6.846 1.00 0.00 H new ATOM 364 N LEU A 802 -2.371 -0.353 4.675 1.00 0.00 N ATOM 365 CA LEU A 802 -2.085 1.078 4.656 1.00 0.00 C ATOM 366 C LEU A 802 -3.221 1.852 3.996 1.00 0.00 C ATOM 367 O LEU A 802 -3.880 2.673 4.634 1.00 0.00 O ATOM 368 CB LEU A 802 -0.773 1.345 3.917 1.00 0.00 C ATOM 369 CG LEU A 802 -0.382 2.815 3.754 1.00 0.00 C ATOM 370 CD1 LEU A 802 -0.026 3.425 5.101 1.00 0.00 C ATOM 371 CD2 LEU A 802 0.780 2.953 2.780 1.00 0.00 C ATOM 0 H LEU A 802 -1.612 -0.940 4.329 1.00 0.00 H new ATOM 0 HA LEU A 802 -1.990 1.419 5.687 1.00 0.00 H new ATOM 0 HB2 LEU A 802 0.030 0.833 4.447 1.00 0.00 H new ATOM 0 HB3 LEU A 802 -0.839 0.895 2.926 1.00 0.00 H new ATOM 0 HG LEU A 802 -1.237 3.356 3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 802 0.250 4.471 4.965 1.00 0.00 H new ATOM 0 HD12 LEU A 802 -0.885 3.360 5.768 1.00 0.00 H new ATOM 0 HD13 LEU A 802 0.813 2.882 5.536 1.00 0.00 H new ATOM 0 HD21 LEU A 802 1.045 4.005 2.676 1.00 0.00 H new ATOM 0 HD22 LEU A 802 1.639 2.398 3.157 1.00 0.00 H new ATOM 0 HD23 LEU A 802 0.489 2.554 1.808 1.00 0.00 H new ATOM 383 N LEU A 803 -3.446 1.584 2.714 1.00 0.00 N ATOM 384 CA LEU A 803 -4.505 2.254 1.967 1.00 0.00 C ATOM 385 C LEU A 803 -5.782 2.345 2.796 1.00 0.00 C ATOM 386 O LEU A 803 -6.224 3.437 3.154 1.00 0.00 O ATOM 387 CB LEU A 803 -4.784 1.509 0.660 1.00 0.00 C ATOM 388 CG LEU A 803 -3.575 1.263 -0.243 1.00 0.00 C ATOM 389 CD1 LEU A 803 -3.900 0.215 -1.297 1.00 0.00 C ATOM 390 CD2 LEU A 803 -3.127 2.561 -0.899 1.00 0.00 C ATOM 0 H LEU A 803 -2.910 0.908 2.171 1.00 0.00 H new ATOM 0 HA LEU A 803 -4.170 3.265 1.737 1.00 0.00 H new ATOM 0 HB2 LEU A 803 -5.233 0.546 0.903 1.00 0.00 H new ATOM 0 HB3 LEU A 803 -5.526 2.073 0.095 1.00 0.00 H new ATOM 0 HG LEU A 803 -2.757 0.888 0.372 1.00 0.00 H new ATOM 0 HD11 LEU A 803 -3.028 0.053 -1.930 1.00 0.00 H new ATOM 0 HD12 LEU A 803 -4.172 -0.720 -0.808 1.00 0.00 H new ATOM 0 HD13 LEU A 803 -4.733 0.560 -1.909 1.00 0.00 H new ATOM 0 HD21 LEU A 803 -2.266 2.367 -1.538 1.00 0.00 H new ATOM 0 HD22 LEU A 803 -3.942 2.965 -1.500 1.00 0.00 H new ATOM 0 HD23 LEU A 803 -2.853 3.282 -0.129 1.00 0.00 H new ATOM 402 N SER A 804 -6.369 1.192 3.098 1.00 0.00 N ATOM 403 CA SER A 804 -7.597 1.142 3.883 1.00 0.00 C ATOM 404 C SER A 804 -7.485 2.024 5.123 1.00 0.00 C ATOM 405 O SER A 804 -8.399 2.782 5.444 1.00 0.00 O ATOM 406 CB SER A 804 -7.906 -0.299 4.295 1.00 0.00 C ATOM 407 OG SER A 804 -7.027 -0.737 5.317 1.00 0.00 O ATOM 0 H SER A 804 -6.014 0.280 2.811 1.00 0.00 H new ATOM 0 HA SER A 804 -8.411 1.518 3.263 1.00 0.00 H new ATOM 0 HB2 SER A 804 -8.937 -0.368 4.643 1.00 0.00 H new ATOM 0 HB3 SER A 804 -7.818 -0.955 3.429 1.00 0.00 H new ATOM 0 HG SER A 804 -6.100 -0.585 5.038 1.00 0.00 H new ATOM 413 N ASN A 805 -6.356 1.919 5.816 1.00 0.00 N ATOM 414 CA ASN A 805 -6.123 2.706 7.022 1.00 0.00 C ATOM 415 C ASN A 805 -6.233 4.199 6.726 1.00 0.00 C ATOM 416 O ASN A 805 -6.553 4.996 7.609 1.00 0.00 O ATOM 417 CB ASN A 805 -4.743 2.391 7.603 1.00 0.00 C ATOM 418 CG ASN A 805 -4.688 1.020 8.250 1.00 0.00 C ATOM 419 OD1 ASN A 805 -5.665 0.561 8.842 1.00 0.00 O ATOM 420 ND2 ASN A 805 -3.542 0.360 8.139 1.00 0.00 N ATOM 0 H ASN A 805 -5.588 1.297 5.563 1.00 0.00 H new ATOM 0 HA ASN A 805 -6.887 2.440 7.753 1.00 0.00 H new ATOM 0 HB2 ASN A 805 -3.997 2.446 6.810 1.00 0.00 H new ATOM 0 HB3 ASN A 805 -4.481 3.149 8.341 1.00 0.00 H new ATOM 0 HD21 ASN A 805 -3.445 -0.567 8.554 1.00 0.00 H new ATOM 0 HD22 ASN A 805 -2.758 0.780 7.639 1.00 0.00 H new ATOM 427 N HIS A 806 -5.967 4.571 5.478 1.00 0.00 N ATOM 428 CA HIS A 806 -6.037 5.968 5.065 1.00 0.00 C ATOM 429 C HIS A 806 -7.470 6.361 4.718 1.00 0.00 C ATOM 430 O HIS A 806 -7.703 7.172 3.822 1.00 0.00 O ATOM 431 CB HIS A 806 -5.124 6.213 3.863 1.00 0.00 C ATOM 432 CG HIS A 806 -3.682 6.384 4.232 1.00 0.00 C ATOM 433 ND1 HIS A 806 -2.949 7.504 3.901 1.00 0.00 N ATOM 434 CD2 HIS A 806 -2.839 5.570 4.908 1.00 0.00 C ATOM 435 CE1 HIS A 806 -1.716 7.370 4.356 1.00 0.00 C ATOM 436 NE2 HIS A 806 -1.623 6.206 4.972 1.00 0.00 N ATOM 0 H HIS A 806 -5.701 3.925 4.735 1.00 0.00 H new ATOM 0 HA HIS A 806 -5.701 6.585 5.899 1.00 0.00 H new ATOM 0 HB2 HIS A 806 -5.217 5.377 3.170 1.00 0.00 H new ATOM 0 HB3 HIS A 806 -5.464 7.104 3.335 1.00 0.00 H new ATOM 0 HD1 HIS A 806 -3.303 8.310 3.386 1.00 0.00 H new ATOM 0 HD2 HIS A 806 -3.078 4.601 5.320 1.00 0.00 H new ATOM 0 HE1 HIS A 806 -0.919 8.090 4.243 1.00 0.00 H new ATOM 444 N HIS A 807 -8.427 5.779 5.434 1.00 0.00 N ATOM 445 CA HIS A 807 -9.838 6.068 5.202 1.00 0.00 C ATOM 446 C HIS A 807 -10.099 6.352 3.726 1.00 0.00 C ATOM 447 O HIS A 807 -10.644 7.398 3.370 1.00 0.00 O ATOM 448 CB HIS A 807 -10.282 7.262 6.048 1.00 0.00 C ATOM 449 CG HIS A 807 -10.409 6.947 7.507 1.00 0.00 C ATOM 450 ND1 HIS A 807 -9.750 7.654 8.490 1.00 0.00 N ATOM 451 CD2 HIS A 807 -11.127 5.995 8.148 1.00 0.00 C ATOM 452 CE1 HIS A 807 -10.055 7.150 9.672 1.00 0.00 C ATOM 453 NE2 HIS A 807 -10.889 6.142 9.493 1.00 0.00 N ATOM 0 H HIS A 807 -8.251 5.105 6.179 1.00 0.00 H new ATOM 0 HA HIS A 807 -10.415 5.190 5.493 1.00 0.00 H new ATOM 0 HB2 HIS A 807 -9.566 8.074 5.921 1.00 0.00 H new ATOM 0 HB3 HIS A 807 -11.242 7.623 5.678 1.00 0.00 H new ATOM 0 HD2 HIS A 807 -11.768 5.257 7.688 1.00 0.00 H new ATOM 0 HE1 HIS A 807 -9.685 7.502 10.623 1.00 0.00 H new ATOM 0 HE2 HIS A 807 -11.291 5.566 10.233 1.00 0.00 H new ATOM 461 N LEU A 808 -9.705 5.415 2.870 1.00 0.00 N ATOM 462 CA LEU A 808 -9.896 5.564 1.431 1.00 0.00 C ATOM 463 C LEU A 808 -11.299 6.073 1.117 1.00 0.00 C ATOM 464 O LEU A 808 -12.194 6.014 1.960 1.00 0.00 O ATOM 465 CB LEU A 808 -9.655 4.229 0.724 1.00 0.00 C ATOM 466 CG LEU A 808 -8.274 3.603 0.924 1.00 0.00 C ATOM 467 CD1 LEU A 808 -8.228 2.208 0.321 1.00 0.00 C ATOM 468 CD2 LEU A 808 -7.195 4.486 0.314 1.00 0.00 C ATOM 0 H LEU A 808 -9.252 4.544 3.147 1.00 0.00 H new ATOM 0 HA LEU A 808 -9.175 6.296 1.068 1.00 0.00 H new ATOM 0 HB2 LEU A 808 -10.407 3.518 1.067 1.00 0.00 H new ATOM 0 HB3 LEU A 808 -9.815 4.372 -0.345 1.00 0.00 H new ATOM 0 HG LEU A 808 -8.085 3.520 1.994 1.00 0.00 H new ATOM 0 HD11 LEU A 808 -7.238 1.778 0.473 1.00 0.00 H new ATOM 0 HD12 LEU A 808 -8.975 1.578 0.804 1.00 0.00 H new ATOM 0 HD13 LEU A 808 -8.438 2.266 -0.747 1.00 0.00 H new ATOM 0 HD21 LEU A 808 -6.219 4.025 0.466 1.00 0.00 H new ATOM 0 HD22 LEU A 808 -7.380 4.601 -0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 808 -7.212 5.465 0.793 1.00 0.00 H new ATOM 480 N ASP A 809 -11.483 6.570 -0.100 1.00 0.00 N ATOM 481 CA ASP A 809 -12.779 7.086 -0.527 1.00 0.00 C ATOM 482 C ASP A 809 -13.034 6.767 -1.997 1.00 0.00 C ATOM 483 O ASP A 809 -12.198 6.156 -2.664 1.00 0.00 O ATOM 484 CB ASP A 809 -12.849 8.598 -0.302 1.00 0.00 C ATOM 485 CG ASP A 809 -11.536 9.290 -0.608 1.00 0.00 C ATOM 486 OD1 ASP A 809 -10.579 9.123 0.177 1.00 0.00 O ATOM 487 OD2 ASP A 809 -11.465 10.000 -1.633 1.00 0.00 O ATOM 0 H ASP A 809 -10.752 6.627 -0.809 1.00 0.00 H new ATOM 0 HA ASP A 809 -13.550 6.600 0.071 1.00 0.00 H new ATOM 0 HB2 ASP A 809 -13.634 9.020 -0.930 1.00 0.00 H new ATOM 0 HB3 ASP A 809 -13.128 8.796 0.733 1.00 0.00 H new ATOM 492 N SER A 810 -14.194 7.182 -2.495 1.00 0.00 N ATOM 493 CA SER A 810 -14.561 6.936 -3.885 1.00 0.00 C ATOM 494 C SER A 810 -13.823 7.889 -4.819 1.00 0.00 C ATOM 495 O SER A 810 -13.537 7.552 -5.967 1.00 0.00 O ATOM 496 CB SER A 810 -16.072 7.090 -4.070 1.00 0.00 C ATOM 497 OG SER A 810 -16.489 8.412 -3.779 1.00 0.00 O ATOM 0 H SER A 810 -14.896 7.690 -1.957 1.00 0.00 H new ATOM 0 HA SER A 810 -14.273 5.915 -4.136 1.00 0.00 H new ATOM 0 HB2 SER A 810 -16.344 6.837 -5.095 1.00 0.00 H new ATOM 0 HB3 SER A 810 -16.595 6.389 -3.419 1.00 0.00 H new ATOM 0 HG SER A 810 -17.458 8.485 -3.906 1.00 0.00 H new ATOM 503 N GLN A 811 -13.518 9.082 -4.317 1.00 0.00 N ATOM 504 CA GLN A 811 -12.814 10.085 -5.107 1.00 0.00 C ATOM 505 C GLN A 811 -11.315 10.042 -4.830 1.00 0.00 C ATOM 506 O GLN A 811 -10.617 11.045 -4.978 1.00 0.00 O ATOM 507 CB GLN A 811 -13.361 11.480 -4.802 1.00 0.00 C ATOM 508 CG GLN A 811 -14.741 11.734 -5.387 1.00 0.00 C ATOM 509 CD GLN A 811 -14.688 12.190 -6.832 1.00 0.00 C ATOM 510 OE1 GLN A 811 -14.725 13.387 -7.119 1.00 0.00 O ATOM 511 NE2 GLN A 811 -14.600 11.236 -7.752 1.00 0.00 N ATOM 0 H GLN A 811 -13.747 9.377 -3.368 1.00 0.00 H new ATOM 0 HA GLN A 811 -12.977 9.861 -6.161 1.00 0.00 H new ATOM 0 HB2 GLN A 811 -13.403 11.616 -3.721 1.00 0.00 H new ATOM 0 HB3 GLN A 811 -12.668 12.226 -5.191 1.00 0.00 H new ATOM 0 HG2 GLN A 811 -15.333 10.822 -5.320 1.00 0.00 H new ATOM 0 HG3 GLN A 811 -15.251 12.490 -4.790 1.00 0.00 H new ATOM 0 HE21 GLN A 811 -14.572 10.256 -7.470 1.00 0.00 H new ATOM 0 HE22 GLN A 811 -14.560 11.483 -8.741 1.00 0.00 H new ATOM 520 N SER A 812 -10.826 8.874 -4.425 1.00 0.00 N ATOM 521 CA SER A 812 -9.410 8.701 -4.123 1.00 0.00 C ATOM 522 C SER A 812 -8.580 8.680 -5.403 1.00 0.00 C ATOM 523 O SER A 812 -8.891 7.951 -6.345 1.00 0.00 O ATOM 524 CB SER A 812 -9.188 7.408 -3.336 1.00 0.00 C ATOM 525 OG SER A 812 -10.083 7.318 -2.241 1.00 0.00 O ATOM 0 H SER A 812 -11.390 8.033 -4.298 1.00 0.00 H new ATOM 0 HA SER A 812 -9.088 9.547 -3.516 1.00 0.00 H new ATOM 0 HB2 SER A 812 -9.326 6.550 -3.994 1.00 0.00 H new ATOM 0 HB3 SER A 812 -8.161 7.371 -2.974 1.00 0.00 H new ATOM 0 HG SER A 812 -10.771 6.648 -2.435 1.00 0.00 H new ATOM 531 N ARG A 813 -7.522 9.484 -5.428 1.00 0.00 N ATOM 532 CA ARG A 813 -6.647 9.559 -6.592 1.00 0.00 C ATOM 533 C ARG A 813 -5.275 8.969 -6.279 1.00 0.00 C ATOM 534 O ARG A 813 -4.739 9.164 -5.188 1.00 0.00 O ATOM 535 CB ARG A 813 -6.498 11.010 -7.052 1.00 0.00 C ATOM 536 CG ARG A 813 -7.567 11.449 -8.040 1.00 0.00 C ATOM 537 CD ARG A 813 -7.215 11.036 -9.461 1.00 0.00 C ATOM 538 NE ARG A 813 -6.309 11.988 -10.098 1.00 0.00 N ATOM 539 CZ ARG A 813 -6.699 13.161 -10.584 1.00 0.00 C ATOM 540 NH1 ARG A 813 -7.971 13.526 -10.505 1.00 0.00 N ATOM 541 NH2 ARG A 813 -5.815 13.973 -11.151 1.00 0.00 N ATOM 0 H ARG A 813 -7.250 10.092 -4.656 1.00 0.00 H new ATOM 0 HA ARG A 813 -7.100 8.976 -7.394 1.00 0.00 H new ATOM 0 HB2 ARG A 813 -6.530 11.664 -6.180 1.00 0.00 H new ATOM 0 HB3 ARG A 813 -5.517 11.138 -7.510 1.00 0.00 H new ATOM 0 HG2 ARG A 813 -8.525 11.012 -7.759 1.00 0.00 H new ATOM 0 HG3 ARG A 813 -7.685 12.532 -7.993 1.00 0.00 H new ATOM 0 HD2 ARG A 813 -6.753 10.049 -9.448 1.00 0.00 H new ATOM 0 HD3 ARG A 813 -8.128 10.953 -10.051 1.00 0.00 H new ATOM 0 HE ARG A 813 -5.323 11.738 -10.174 1.00 0.00 H new ATOM 0 HH11 ARG A 813 -8.654 12.905 -10.070 1.00 0.00 H new ATOM 0 HH12 ARG A 813 -8.267 14.427 -10.879 1.00 0.00 H new ATOM 0 HH21 ARG A 813 -4.835 13.696 -11.214 1.00 0.00 H new ATOM 0 HH22 ARG A 813 -6.116 14.874 -11.524 1.00 0.00 H new ATOM 555 N TRP A 814 -4.712 8.249 -7.243 1.00 0.00 N ATOM 556 CA TRP A 814 -3.403 7.631 -7.070 1.00 0.00 C ATOM 557 C TRP A 814 -2.362 8.667 -6.659 1.00 0.00 C ATOM 558 O TRP A 814 -1.874 8.655 -5.529 1.00 0.00 O ATOM 559 CB TRP A 814 -2.968 6.938 -8.363 1.00 0.00 C ATOM 560 CG TRP A 814 -1.596 6.340 -8.284 1.00 0.00 C ATOM 561 CD1 TRP A 814 -0.565 6.536 -9.157 1.00 0.00 C ATOM 562 CD2 TRP A 814 -1.108 5.447 -7.277 1.00 0.00 C ATOM 563 NE1 TRP A 814 0.535 5.819 -8.755 1.00 0.00 N ATOM 564 CE2 TRP A 814 0.229 5.143 -7.604 1.00 0.00 C ATOM 565 CE3 TRP A 814 -1.668 4.876 -6.132 1.00 0.00 C ATOM 566 CZ2 TRP A 814 1.010 4.293 -6.825 1.00 0.00 C ATOM 567 CZ3 TRP A 814 -0.891 4.032 -5.360 1.00 0.00 C ATOM 568 CH2 TRP A 814 0.436 3.748 -5.709 1.00 0.00 C ATOM 0 H TRP A 814 -5.142 8.079 -8.152 1.00 0.00 H new ATOM 0 HA TRP A 814 -3.482 6.888 -6.277 1.00 0.00 H new ATOM 0 HB2 TRP A 814 -3.685 6.154 -8.605 1.00 0.00 H new ATOM 0 HB3 TRP A 814 -2.996 7.659 -9.180 1.00 0.00 H new ATOM 0 HD1 TRP A 814 -0.608 7.163 -10.035 1.00 0.00 H new ATOM 0 HE1 TRP A 814 1.434 5.794 -9.236 1.00 0.00 H new ATOM 0 HE3 TRP A 814 -2.690 5.090 -5.855 1.00 0.00 H new ATOM 0 HZ2 TRP A 814 2.033 4.072 -7.092 1.00 0.00 H new ATOM 0 HZ3 TRP A 814 -1.314 3.584 -4.473 1.00 0.00 H new ATOM 0 HH2 TRP A 814 1.017 3.086 -5.085 1.00 0.00 H new ATOM 579 N SER A 815 -2.027 9.561 -7.583 1.00 0.00 N ATOM 580 CA SER A 815 -1.040 10.602 -7.317 1.00 0.00 C ATOM 581 C SER A 815 -1.115 11.062 -5.865 1.00 0.00 C ATOM 582 O SER A 815 -0.091 11.280 -5.216 1.00 0.00 O ATOM 583 CB SER A 815 -1.259 11.793 -8.253 1.00 0.00 C ATOM 584 OG SER A 815 -0.824 11.494 -9.568 1.00 0.00 O ATOM 0 H SER A 815 -2.424 9.586 -8.522 1.00 0.00 H new ATOM 0 HA SER A 815 -0.049 10.184 -7.497 1.00 0.00 H new ATOM 0 HB2 SER A 815 -2.316 12.059 -8.268 1.00 0.00 H new ATOM 0 HB3 SER A 815 -0.718 12.661 -7.876 1.00 0.00 H new ATOM 0 HG SER A 815 -0.976 12.270 -10.147 1.00 0.00 H new ATOM 590 N LYS A 816 -2.335 11.209 -5.359 1.00 0.00 N ATOM 591 CA LYS A 816 -2.546 11.642 -3.983 1.00 0.00 C ATOM 592 C LYS A 816 -2.159 10.541 -3.000 1.00 0.00 C ATOM 593 O LYS A 816 -1.227 10.699 -2.211 1.00 0.00 O ATOM 594 CB LYS A 816 -4.009 12.039 -3.770 1.00 0.00 C ATOM 595 CG LYS A 816 -4.409 13.306 -4.507 1.00 0.00 C ATOM 596 CD LYS A 816 -4.159 14.544 -3.664 1.00 0.00 C ATOM 597 CE LYS A 816 -5.326 14.827 -2.730 1.00 0.00 C ATOM 598 NZ LYS A 816 -5.148 16.108 -1.992 1.00 0.00 N ATOM 0 H LYS A 816 -3.193 11.034 -5.882 1.00 0.00 H new ATOM 0 HA LYS A 816 -1.910 12.508 -3.800 1.00 0.00 H new ATOM 0 HB2 LYS A 816 -4.650 11.221 -4.097 1.00 0.00 H new ATOM 0 HB3 LYS A 816 -4.188 12.177 -2.704 1.00 0.00 H new ATOM 0 HG2 LYS A 816 -3.847 13.379 -5.438 1.00 0.00 H new ATOM 0 HG3 LYS A 816 -5.464 13.254 -4.775 1.00 0.00 H new ATOM 0 HD2 LYS A 816 -3.248 14.410 -3.080 1.00 0.00 H new ATOM 0 HD3 LYS A 816 -3.997 15.403 -4.316 1.00 0.00 H new ATOM 0 HE2 LYS A 816 -6.251 14.865 -3.306 1.00 0.00 H new ATOM 0 HE3 LYS A 816 -5.428 14.008 -2.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 816 -5.964 16.265 -1.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 816 -4.279 16.063 -1.423 1.00 0.00 H new ATOM 0 HZ3 LYS A 816 -5.077 16.893 -2.671 1.00 0.00 H new ATOM 612 N VAL A 817 -2.879 9.426 -3.055 1.00 0.00 N ATOM 613 CA VAL A 817 -2.610 8.297 -2.172 1.00 0.00 C ATOM 614 C VAL A 817 -1.126 7.949 -2.163 1.00 0.00 C ATOM 615 O VAL A 817 -0.607 7.416 -1.182 1.00 0.00 O ATOM 616 CB VAL A 817 -3.416 7.053 -2.589 1.00 0.00 C ATOM 617 CG1 VAL A 817 -2.623 6.209 -3.576 1.00 0.00 C ATOM 618 CG2 VAL A 817 -3.803 6.235 -1.366 1.00 0.00 C ATOM 0 H VAL A 817 -3.654 9.280 -3.702 1.00 0.00 H new ATOM 0 HA VAL A 817 -2.916 8.599 -1.170 1.00 0.00 H new ATOM 0 HB VAL A 817 -4.331 7.382 -3.082 1.00 0.00 H new ATOM 0 HG11 VAL A 817 -3.208 5.334 -3.859 1.00 0.00 H new ATOM 0 HG12 VAL A 817 -2.401 6.800 -4.464 1.00 0.00 H new ATOM 0 HG13 VAL A 817 -1.691 5.887 -3.112 1.00 0.00 H new ATOM 0 HG21 VAL A 817 -4.372 5.360 -1.679 1.00 0.00 H new ATOM 0 HG22 VAL A 817 -2.902 5.914 -0.843 1.00 0.00 H new ATOM 0 HG23 VAL A 817 -4.412 6.844 -0.699 1.00 0.00 H new ATOM 628 N LYS A 818 -0.446 8.254 -3.263 1.00 0.00 N ATOM 629 CA LYS A 818 0.981 7.975 -3.384 1.00 0.00 C ATOM 630 C LYS A 818 1.800 8.969 -2.568 1.00 0.00 C ATOM 631 O LYS A 818 2.691 8.581 -1.811 1.00 0.00 O ATOM 632 CB LYS A 818 1.409 8.028 -4.852 1.00 0.00 C ATOM 633 CG LYS A 818 2.914 7.974 -5.048 1.00 0.00 C ATOM 634 CD LYS A 818 3.336 8.682 -6.325 1.00 0.00 C ATOM 635 CE LYS A 818 4.589 8.057 -6.921 1.00 0.00 C ATOM 636 NZ LYS A 818 5.408 9.056 -7.662 1.00 0.00 N ATOM 0 H LYS A 818 -0.860 8.695 -4.084 1.00 0.00 H new ATOM 0 HA LYS A 818 1.165 6.974 -2.995 1.00 0.00 H new ATOM 0 HB2 LYS A 818 0.951 7.195 -5.386 1.00 0.00 H new ATOM 0 HB3 LYS A 818 1.025 8.944 -5.301 1.00 0.00 H new ATOM 0 HG2 LYS A 818 3.410 8.436 -4.194 1.00 0.00 H new ATOM 0 HG3 LYS A 818 3.240 6.935 -5.082 1.00 0.00 H new ATOM 0 HD2 LYS A 818 2.525 8.638 -7.052 1.00 0.00 H new ATOM 0 HD3 LYS A 818 3.518 9.736 -6.115 1.00 0.00 H new ATOM 0 HE2 LYS A 818 5.188 7.615 -6.125 1.00 0.00 H new ATOM 0 HE3 LYS A 818 4.306 7.248 -7.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 818 6.252 8.591 -8.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 818 4.845 9.460 -8.437 1.00 0.00 H new ATOM 0 HZ3 LYS A 818 5.699 9.815 -7.014 1.00 0.00 H new ATOM 650 N ASP A 819 1.492 10.252 -2.724 1.00 0.00 N ATOM 651 CA ASP A 819 2.199 11.302 -2.000 1.00 0.00 C ATOM 652 C ASP A 819 1.944 11.193 -0.500 1.00 0.00 C ATOM 653 O ASP A 819 2.730 11.682 0.312 1.00 0.00 O ATOM 654 CB ASP A 819 1.766 12.679 -2.505 1.00 0.00 C ATOM 655 CG ASP A 819 2.566 13.804 -1.876 1.00 0.00 C ATOM 656 OD1 ASP A 819 2.570 13.905 -0.632 1.00 0.00 O ATOM 657 OD2 ASP A 819 3.188 14.583 -2.629 1.00 0.00 O ATOM 0 H ASP A 819 0.757 10.590 -3.346 1.00 0.00 H new ATOM 0 HA ASP A 819 3.267 11.178 -2.179 1.00 0.00 H new ATOM 0 HB2 ASP A 819 1.880 12.718 -3.588 1.00 0.00 H new ATOM 0 HB3 ASP A 819 0.707 12.825 -2.290 1.00 0.00 H new ATOM 662 N LYS A 820 0.839 10.550 -0.138 1.00 0.00 N ATOM 663 CA LYS A 820 0.478 10.376 1.264 1.00 0.00 C ATOM 664 C LYS A 820 1.198 9.174 1.866 1.00 0.00 C ATOM 665 O LYS A 820 1.693 9.233 2.991 1.00 0.00 O ATOM 666 CB LYS A 820 -1.036 10.201 1.405 1.00 0.00 C ATOM 667 CG LYS A 820 -1.798 11.514 1.448 1.00 0.00 C ATOM 668 CD LYS A 820 -1.860 12.076 2.859 1.00 0.00 C ATOM 669 CE LYS A 820 -2.371 13.509 2.866 1.00 0.00 C ATOM 670 NZ LYS A 820 -2.693 13.976 4.242 1.00 0.00 N ATOM 0 H LYS A 820 0.177 10.140 -0.797 1.00 0.00 H new ATOM 0 HA LYS A 820 0.786 11.270 1.806 1.00 0.00 H new ATOM 0 HB2 LYS A 820 -1.404 9.604 0.570 1.00 0.00 H new ATOM 0 HB3 LYS A 820 -1.245 9.639 2.315 1.00 0.00 H new ATOM 0 HG2 LYS A 820 -1.318 12.236 0.788 1.00 0.00 H new ATOM 0 HG3 LYS A 820 -2.809 11.361 1.071 1.00 0.00 H new ATOM 0 HD2 LYS A 820 -2.512 11.453 3.472 1.00 0.00 H new ATOM 0 HD3 LYS A 820 -0.868 12.040 3.310 1.00 0.00 H new ATOM 0 HE2 LYS A 820 -1.619 14.165 2.427 1.00 0.00 H new ATOM 0 HE3 LYS A 820 -3.261 13.580 2.241 1.00 0.00 H new ATOM 0 HZ1 LYS A 820 -3.038 14.956 4.204 1.00 0.00 H new ATOM 0 HZ2 LYS A 820 -3.429 13.366 4.652 1.00 0.00 H new ATOM 0 HZ3 LYS A 820 -1.838 13.932 4.832 1.00 0.00 H new ATOM 684 N VAL A 821 1.254 8.083 1.108 1.00 0.00 N ATOM 685 CA VAL A 821 1.915 6.867 1.565 1.00 0.00 C ATOM 686 C VAL A 821 3.431 6.996 1.466 1.00 0.00 C ATOM 687 O VAL A 821 4.167 6.392 2.246 1.00 0.00 O ATOM 688 CB VAL A 821 1.461 5.641 0.752 1.00 0.00 C ATOM 689 CG1 VAL A 821 -0.025 5.387 0.954 1.00 0.00 C ATOM 690 CG2 VAL A 821 1.782 5.831 -0.723 1.00 0.00 C ATOM 0 H VAL A 821 0.849 8.017 0.174 1.00 0.00 H new ATOM 0 HA VAL A 821 1.632 6.726 2.608 1.00 0.00 H new ATOM 0 HB VAL A 821 2.007 4.768 1.109 1.00 0.00 H new ATOM 0 HG11 VAL A 821 -0.328 4.517 0.372 1.00 0.00 H new ATOM 0 HG12 VAL A 821 -0.222 5.204 2.010 1.00 0.00 H new ATOM 0 HG13 VAL A 821 -0.591 6.258 0.625 1.00 0.00 H new ATOM 0 HG21 VAL A 821 1.454 4.955 -1.282 1.00 0.00 H new ATOM 0 HG22 VAL A 821 1.265 6.715 -1.097 1.00 0.00 H new ATOM 0 HG23 VAL A 821 2.857 5.960 -0.848 1.00 0.00 H new ATOM 700 N GLU A 822 3.891 7.786 0.501 1.00 0.00 N ATOM 701 CA GLU A 822 5.320 7.994 0.300 1.00 0.00 C ATOM 702 C GLU A 822 6.040 8.155 1.636 1.00 0.00 C ATOM 703 O GLU A 822 7.220 7.830 1.760 1.00 0.00 O ATOM 704 CB GLU A 822 5.561 9.226 -0.574 1.00 0.00 C ATOM 705 CG GLU A 822 5.398 10.541 0.170 1.00 0.00 C ATOM 706 CD GLU A 822 6.692 11.020 0.798 1.00 0.00 C ATOM 707 OE1 GLU A 822 7.689 11.172 0.061 1.00 0.00 O ATOM 708 OE2 GLU A 822 6.709 11.243 2.027 1.00 0.00 O ATOM 0 H GLU A 822 3.295 8.292 -0.154 1.00 0.00 H new ATOM 0 HA GLU A 822 5.721 7.115 -0.205 1.00 0.00 H new ATOM 0 HB2 GLU A 822 6.568 9.175 -0.989 1.00 0.00 H new ATOM 0 HB3 GLU A 822 4.868 9.206 -1.415 1.00 0.00 H new ATOM 0 HG2 GLU A 822 5.030 11.301 -0.519 1.00 0.00 H new ATOM 0 HG3 GLU A 822 4.643 10.423 0.947 1.00 0.00 H new ATOM 715 N SER A 823 5.319 8.661 2.632 1.00 0.00 N ATOM 716 CA SER A 823 5.889 8.870 3.958 1.00 0.00 C ATOM 717 C SER A 823 5.769 7.608 4.806 1.00 0.00 C ATOM 718 O SER A 823 5.731 7.674 6.035 1.00 0.00 O ATOM 719 CB SER A 823 5.191 10.037 4.658 1.00 0.00 C ATOM 720 OG SER A 823 3.790 9.831 4.718 1.00 0.00 O ATOM 0 H SER A 823 4.340 8.934 2.546 1.00 0.00 H new ATOM 0 HA SER A 823 6.946 9.107 3.839 1.00 0.00 H new ATOM 0 HB2 SER A 823 5.589 10.151 5.667 1.00 0.00 H new ATOM 0 HB3 SER A 823 5.403 10.964 4.125 1.00 0.00 H new ATOM 0 HG SER A 823 3.367 10.590 5.171 1.00 0.00 H new ATOM 726 N ASP A 824 5.710 6.459 4.141 1.00 0.00 N ATOM 727 CA ASP A 824 5.595 5.181 4.833 1.00 0.00 C ATOM 728 C ASP A 824 6.548 4.151 4.233 1.00 0.00 C ATOM 729 O ASP A 824 6.733 4.074 3.018 1.00 0.00 O ATOM 730 CB ASP A 824 4.157 4.665 4.762 1.00 0.00 C ATOM 731 CG ASP A 824 3.856 3.638 5.836 1.00 0.00 C ATOM 732 OD1 ASP A 824 3.594 4.044 6.987 1.00 0.00 O ATOM 733 OD2 ASP A 824 3.883 2.429 5.525 1.00 0.00 O ATOM 0 H ASP A 824 5.740 6.387 3.124 1.00 0.00 H new ATOM 0 HA ASP A 824 5.866 5.336 5.877 1.00 0.00 H new ATOM 0 HB2 ASP A 824 3.468 5.504 4.862 1.00 0.00 H new ATOM 0 HB3 ASP A 824 3.981 4.223 3.781 1.00 0.00 H new ATOM 738 N PRO A 825 7.168 3.341 5.104 1.00 0.00 N ATOM 739 CA PRO A 825 8.113 2.302 4.683 1.00 0.00 C ATOM 740 C PRO A 825 7.424 1.153 3.954 1.00 0.00 C ATOM 741 O PRO A 825 8.007 0.530 3.067 1.00 0.00 O ATOM 742 CB PRO A 825 8.715 1.814 6.003 1.00 0.00 C ATOM 743 CG PRO A 825 7.677 2.118 7.028 1.00 0.00 C ATOM 744 CD PRO A 825 6.995 3.377 6.566 1.00 0.00 C ATOM 0 HA PRO A 825 8.851 2.684 3.978 1.00 0.00 H new ATOM 0 HB2 PRO A 825 8.935 0.747 5.967 1.00 0.00 H new ATOM 0 HB3 PRO A 825 9.652 2.326 6.224 1.00 0.00 H new ATOM 0 HG2 PRO A 825 6.964 1.298 7.117 1.00 0.00 H new ATOM 0 HG3 PRO A 825 8.128 2.256 8.011 1.00 0.00 H new ATOM 0 HD2 PRO A 825 5.942 3.389 6.846 1.00 0.00 H new ATOM 0 HD3 PRO A 825 7.452 4.265 7.003 1.00 0.00 H new ATOM 752 N ARG A 826 6.181 0.878 4.335 1.00 0.00 N ATOM 753 CA ARG A 826 5.413 -0.197 3.718 1.00 0.00 C ATOM 754 C ARG A 826 5.256 0.039 2.218 1.00 0.00 C ATOM 755 O ARG A 826 5.162 -0.908 1.437 1.00 0.00 O ATOM 756 CB ARG A 826 4.036 -0.311 4.374 1.00 0.00 C ATOM 757 CG ARG A 826 4.091 -0.706 5.841 1.00 0.00 C ATOM 758 CD ARG A 826 2.706 -0.711 6.469 1.00 0.00 C ATOM 759 NE ARG A 826 2.238 0.638 6.773 1.00 0.00 N ATOM 760 CZ ARG A 826 1.328 0.909 7.702 1.00 0.00 C ATOM 761 NH1 ARG A 826 0.793 -0.072 8.415 1.00 0.00 N ATOM 762 NH2 ARG A 826 0.954 2.163 7.921 1.00 0.00 N ATOM 0 H ARG A 826 5.684 1.385 5.068 1.00 0.00 H new ATOM 0 HA ARG A 826 5.957 -1.130 3.867 1.00 0.00 H new ATOM 0 HB2 ARG A 826 3.519 0.644 4.283 1.00 0.00 H new ATOM 0 HB3 ARG A 826 3.444 -1.047 3.830 1.00 0.00 H new ATOM 0 HG2 ARG A 826 4.538 -1.695 5.936 1.00 0.00 H new ATOM 0 HG3 ARG A 826 4.734 -0.012 6.382 1.00 0.00 H new ATOM 0 HD2 ARG A 826 2.002 -1.195 5.791 1.00 0.00 H new ATOM 0 HD3 ARG A 826 2.725 -1.303 7.384 1.00 0.00 H new ATOM 0 HE ARG A 826 2.632 1.415 6.243 1.00 0.00 H new ATOM 0 HH11 ARG A 826 1.080 -1.037 8.251 1.00 0.00 H new ATOM 0 HH12 ARG A 826 0.094 0.138 9.128 1.00 0.00 H new ATOM 0 HH21 ARG A 826 1.365 2.921 7.376 1.00 0.00 H new ATOM 0 HH22 ARG A 826 0.255 2.370 8.635 1.00 0.00 H new ATOM 776 N TYR A 827 5.227 1.307 1.824 1.00 0.00 N ATOM 777 CA TYR A 827 5.078 1.667 0.419 1.00 0.00 C ATOM 778 C TYR A 827 6.344 1.337 -0.365 1.00 0.00 C ATOM 779 O TYR A 827 6.346 1.342 -1.596 1.00 0.00 O ATOM 780 CB TYR A 827 4.755 3.156 0.284 1.00 0.00 C ATOM 781 CG TYR A 827 5.007 3.708 -1.101 1.00 0.00 C ATOM 782 CD1 TYR A 827 6.291 4.044 -1.513 1.00 0.00 C ATOM 783 CD2 TYR A 827 3.962 3.892 -1.997 1.00 0.00 C ATOM 784 CE1 TYR A 827 6.526 4.549 -2.777 1.00 0.00 C ATOM 785 CE2 TYR A 827 4.188 4.395 -3.264 1.00 0.00 C ATOM 786 CZ TYR A 827 5.471 4.722 -3.649 1.00 0.00 C ATOM 787 OH TYR A 827 5.701 5.224 -4.910 1.00 0.00 O ATOM 0 H TYR A 827 5.305 2.103 2.457 1.00 0.00 H new ATOM 0 HA TYR A 827 4.254 1.084 0.006 1.00 0.00 H new ATOM 0 HB2 TYR A 827 3.709 3.317 0.545 1.00 0.00 H new ATOM 0 HB3 TYR A 827 5.353 3.715 1.003 1.00 0.00 H new ATOM 0 HD1 TYR A 827 7.119 3.908 -0.833 1.00 0.00 H new ATOM 0 HD2 TYR A 827 2.956 3.638 -1.698 1.00 0.00 H new ATOM 0 HE1 TYR A 827 7.530 4.807 -3.081 1.00 0.00 H new ATOM 0 HE2 TYR A 827 3.364 4.531 -3.949 1.00 0.00 H new ATOM 0 HH TYR A 827 4.853 5.283 -5.398 1.00 0.00 H new ATOM 797 N LYS A 828 7.422 1.051 0.357 1.00 0.00 N ATOM 798 CA LYS A 828 8.696 0.716 -0.268 1.00 0.00 C ATOM 799 C LYS A 828 8.776 -0.776 -0.574 1.00 0.00 C ATOM 800 O LYS A 828 9.789 -1.263 -1.076 1.00 0.00 O ATOM 801 CB LYS A 828 9.857 1.123 0.642 1.00 0.00 C ATOM 802 CG LYS A 828 9.996 2.626 0.814 1.00 0.00 C ATOM 803 CD LYS A 828 10.789 2.973 2.063 1.00 0.00 C ATOM 804 CE LYS A 828 12.286 2.961 1.795 1.00 0.00 C ATOM 805 NZ LYS A 828 12.867 1.599 1.955 1.00 0.00 N ATOM 0 H LYS A 828 7.439 1.045 1.377 1.00 0.00 H new ATOM 0 HA LYS A 828 8.767 1.266 -1.206 1.00 0.00 H new ATOM 0 HB2 LYS A 828 9.718 0.665 1.621 1.00 0.00 H new ATOM 0 HB3 LYS A 828 10.785 0.725 0.233 1.00 0.00 H new ATOM 0 HG2 LYS A 828 10.490 3.049 -0.061 1.00 0.00 H new ATOM 0 HG3 LYS A 828 9.007 3.080 0.872 1.00 0.00 H new ATOM 0 HD2 LYS A 828 10.491 3.958 2.423 1.00 0.00 H new ATOM 0 HD3 LYS A 828 10.554 2.260 2.854 1.00 0.00 H new ATOM 0 HE2 LYS A 828 12.477 3.321 0.784 1.00 0.00 H new ATOM 0 HE3 LYS A 828 12.783 3.650 2.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 828 13.882 1.677 2.169 1.00 0.00 H new ATOM 0 HZ2 LYS A 828 12.386 1.106 2.734 1.00 0.00 H new ATOM 0 HZ3 LYS A 828 12.740 1.062 1.074 1.00 0.00 H new ATOM 819 N ALA A 829 7.701 -1.497 -0.271 1.00 0.00 N ATOM 820 CA ALA A 829 7.649 -2.932 -0.517 1.00 0.00 C ATOM 821 C ALA A 829 7.468 -3.228 -2.002 1.00 0.00 C ATOM 822 O ALA A 829 8.254 -3.964 -2.600 1.00 0.00 O ATOM 823 CB ALA A 829 6.526 -3.566 0.290 1.00 0.00 C ATOM 0 H ALA A 829 6.854 -1.110 0.145 1.00 0.00 H new ATOM 0 HA ALA A 829 8.598 -3.364 -0.200 1.00 0.00 H new ATOM 0 HB1 ALA A 829 6.499 -4.638 0.096 1.00 0.00 H new ATOM 0 HB2 ALA A 829 6.699 -3.394 1.352 1.00 0.00 H new ATOM 0 HB3 ALA A 829 5.574 -3.121 0.001 1.00 0.00 H new ATOM 829 N VAL A 830 6.427 -2.651 -2.593 1.00 0.00 N ATOM 830 CA VAL A 830 6.143 -2.852 -4.009 1.00 0.00 C ATOM 831 C VAL A 830 7.304 -2.376 -4.876 1.00 0.00 C ATOM 832 O VAL A 830 8.020 -1.443 -4.514 1.00 0.00 O ATOM 833 CB VAL A 830 4.861 -2.112 -4.436 1.00 0.00 C ATOM 834 CG1 VAL A 830 4.407 -2.580 -5.810 1.00 0.00 C ATOM 835 CG2 VAL A 830 3.762 -2.314 -3.404 1.00 0.00 C ATOM 0 H VAL A 830 5.766 -2.040 -2.113 1.00 0.00 H new ATOM 0 HA VAL A 830 6.000 -3.923 -4.153 1.00 0.00 H new ATOM 0 HB VAL A 830 5.080 -1.046 -4.496 1.00 0.00 H new ATOM 0 HG11 VAL A 830 3.500 -2.046 -6.095 1.00 0.00 H new ATOM 0 HG12 VAL A 830 5.191 -2.379 -6.540 1.00 0.00 H new ATOM 0 HG13 VAL A 830 4.204 -3.651 -5.781 1.00 0.00 H new ATOM 0 HG21 VAL A 830 2.863 -1.785 -3.721 1.00 0.00 H new ATOM 0 HG22 VAL A 830 3.542 -3.377 -3.310 1.00 0.00 H new ATOM 0 HG23 VAL A 830 4.091 -1.925 -2.441 1.00 0.00 H new ATOM 845 N ASP A 831 7.483 -3.024 -6.022 1.00 0.00 N ATOM 846 CA ASP A 831 8.557 -2.666 -6.942 1.00 0.00 C ATOM 847 C ASP A 831 7.993 -2.077 -8.231 1.00 0.00 C ATOM 848 O ASP A 831 8.370 -0.979 -8.640 1.00 0.00 O ATOM 849 CB ASP A 831 9.415 -3.892 -7.259 1.00 0.00 C ATOM 850 CG ASP A 831 8.594 -5.055 -7.780 1.00 0.00 C ATOM 851 OD1 ASP A 831 7.589 -5.411 -7.129 1.00 0.00 O ATOM 852 OD2 ASP A 831 8.955 -5.608 -8.839 1.00 0.00 O ATOM 0 H ASP A 831 6.899 -3.799 -6.336 1.00 0.00 H new ATOM 0 HA ASP A 831 9.179 -1.912 -6.461 1.00 0.00 H new ATOM 0 HB2 ASP A 831 10.169 -3.623 -7.999 1.00 0.00 H new ATOM 0 HB3 ASP A 831 9.948 -4.201 -6.360 1.00 0.00 H new ATOM 857 N SER A 832 7.089 -2.815 -8.867 1.00 0.00 N ATOM 858 CA SER A 832 6.477 -2.368 -10.113 1.00 0.00 C ATOM 859 C SER A 832 5.408 -1.312 -9.845 1.00 0.00 C ATOM 860 O SER A 832 4.753 -1.327 -8.803 1.00 0.00 O ATOM 861 CB SER A 832 5.863 -3.554 -10.859 1.00 0.00 C ATOM 862 OG SER A 832 5.553 -3.210 -12.198 1.00 0.00 O ATOM 0 H SER A 832 6.764 -3.725 -8.540 1.00 0.00 H new ATOM 0 HA SER A 832 7.256 -1.923 -10.732 1.00 0.00 H new ATOM 0 HB2 SER A 832 6.558 -4.394 -10.848 1.00 0.00 H new ATOM 0 HB3 SER A 832 4.959 -3.882 -10.346 1.00 0.00 H new ATOM 0 HG SER A 832 4.585 -3.277 -12.337 1.00 0.00 H new ATOM 868 N SER A 833 5.238 -0.397 -10.794 1.00 0.00 N ATOM 869 CA SER A 833 4.251 0.668 -10.660 1.00 0.00 C ATOM 870 C SER A 833 2.856 0.165 -11.016 1.00 0.00 C ATOM 871 O SER A 833 1.873 0.511 -10.360 1.00 0.00 O ATOM 872 CB SER A 833 4.623 1.851 -11.556 1.00 0.00 C ATOM 873 OG SER A 833 4.828 1.433 -12.894 1.00 0.00 O ATOM 0 H SER A 833 5.771 -0.372 -11.664 1.00 0.00 H new ATOM 0 HA SER A 833 4.245 0.995 -9.620 1.00 0.00 H new ATOM 0 HB2 SER A 833 3.831 2.599 -11.523 1.00 0.00 H new ATOM 0 HB3 SER A 833 5.528 2.327 -11.178 1.00 0.00 H new ATOM 0 HG SER A 833 5.063 2.208 -13.446 1.00 0.00 H new ATOM 879 N SER A 834 2.777 -0.654 -12.060 1.00 0.00 N ATOM 880 CA SER A 834 1.502 -1.203 -12.507 1.00 0.00 C ATOM 881 C SER A 834 0.788 -1.918 -11.364 1.00 0.00 C ATOM 882 O SER A 834 -0.419 -1.766 -11.180 1.00 0.00 O ATOM 883 CB SER A 834 1.720 -2.171 -13.672 1.00 0.00 C ATOM 884 OG SER A 834 2.605 -3.216 -13.308 1.00 0.00 O ATOM 0 H SER A 834 3.581 -0.952 -12.612 1.00 0.00 H new ATOM 0 HA SER A 834 0.876 -0.376 -12.843 1.00 0.00 H new ATOM 0 HB2 SER A 834 0.764 -2.592 -13.983 1.00 0.00 H new ATOM 0 HB3 SER A 834 2.124 -1.630 -14.528 1.00 0.00 H new ATOM 0 HG SER A 834 2.727 -3.822 -14.069 1.00 0.00 H new ATOM 890 N MET A 835 1.544 -2.699 -10.599 1.00 0.00 N ATOM 891 CA MET A 835 0.984 -3.438 -9.473 1.00 0.00 C ATOM 892 C MET A 835 0.283 -2.495 -8.499 1.00 0.00 C ATOM 893 O MET A 835 -0.748 -2.839 -7.922 1.00 0.00 O ATOM 894 CB MET A 835 2.085 -4.213 -8.746 1.00 0.00 C ATOM 895 CG MET A 835 2.804 -5.219 -9.630 1.00 0.00 C ATOM 896 SD MET A 835 1.744 -6.590 -10.128 1.00 0.00 S ATOM 897 CE MET A 835 1.380 -7.330 -8.538 1.00 0.00 C ATOM 0 H MET A 835 2.545 -2.836 -10.738 1.00 0.00 H new ATOM 0 HA MET A 835 0.249 -4.143 -9.862 1.00 0.00 H new ATOM 0 HB2 MET A 835 2.813 -3.506 -8.347 1.00 0.00 H new ATOM 0 HB3 MET A 835 1.649 -4.736 -7.895 1.00 0.00 H new ATOM 0 HG2 MET A 835 3.178 -4.713 -10.520 1.00 0.00 H new ATOM 0 HG3 MET A 835 3.671 -5.610 -9.098 1.00 0.00 H new ATOM 0 HE1 MET A 835 1.065 -8.364 -8.681 1.00 0.00 H new ATOM 0 HE2 MET A 835 2.272 -7.306 -7.913 1.00 0.00 H new ATOM 0 HE3 MET A 835 0.581 -6.771 -8.051 1.00 0.00 H new ATOM 907 N ARG A 836 0.850 -1.306 -8.322 1.00 0.00 N ATOM 908 CA ARG A 836 0.279 -0.316 -7.417 1.00 0.00 C ATOM 909 C ARG A 836 -1.047 0.212 -7.955 1.00 0.00 C ATOM 910 O ARG A 836 -2.086 0.080 -7.310 1.00 0.00 O ATOM 911 CB ARG A 836 1.257 0.843 -7.214 1.00 0.00 C ATOM 912 CG ARG A 836 2.706 0.402 -7.084 1.00 0.00 C ATOM 913 CD ARG A 836 3.496 1.342 -6.187 1.00 0.00 C ATOM 914 NE ARG A 836 3.308 1.033 -4.772 1.00 0.00 N ATOM 915 CZ ARG A 836 4.163 1.394 -3.821 1.00 0.00 C ATOM 916 NH1 ARG A 836 5.258 2.074 -4.133 1.00 0.00 N ATOM 917 NH2 ARG A 836 3.923 1.076 -2.555 1.00 0.00 N ATOM 0 H ARG A 836 1.703 -1.005 -8.793 1.00 0.00 H new ATOM 0 HA ARG A 836 0.095 -0.800 -6.458 1.00 0.00 H new ATOM 0 HB2 ARG A 836 1.170 1.532 -8.054 1.00 0.00 H new ATOM 0 HB3 ARG A 836 0.972 1.395 -6.318 1.00 0.00 H new ATOM 0 HG2 ARG A 836 2.745 -0.609 -6.678 1.00 0.00 H new ATOM 0 HG3 ARG A 836 3.167 0.367 -8.071 1.00 0.00 H new ATOM 0 HD2 ARG A 836 4.555 1.275 -6.435 1.00 0.00 H new ATOM 0 HD3 ARG A 836 3.188 2.370 -6.378 1.00 0.00 H new ATOM 0 HE ARG A 836 2.475 0.512 -4.499 1.00 0.00 H new ATOM 0 HH11 ARG A 836 5.445 2.321 -5.105 1.00 0.00 H new ATOM 0 HH12 ARG A 836 5.913 2.350 -3.401 1.00 0.00 H new ATOM 0 HH21 ARG A 836 3.081 0.554 -2.311 1.00 0.00 H new ATOM 0 HH22 ARG A 836 4.580 1.354 -1.826 1.00 0.00 H new ATOM 931 N GLU A 837 -1.003 0.810 -9.142 1.00 0.00 N ATOM 932 CA GLU A 837 -2.201 1.359 -9.766 1.00 0.00 C ATOM 933 C GLU A 837 -3.321 0.323 -9.796 1.00 0.00 C ATOM 934 O GLU A 837 -4.489 0.650 -9.585 1.00 0.00 O ATOM 935 CB GLU A 837 -1.891 1.834 -11.187 1.00 0.00 C ATOM 936 CG GLU A 837 -1.319 3.240 -11.247 1.00 0.00 C ATOM 937 CD GLU A 837 0.195 3.258 -11.163 1.00 0.00 C ATOM 938 OE1 GLU A 837 0.728 3.102 -10.044 1.00 0.00 O ATOM 939 OE2 GLU A 837 0.846 3.429 -12.214 1.00 0.00 O ATOM 0 H GLU A 837 -0.151 0.926 -9.690 1.00 0.00 H new ATOM 0 HA GLU A 837 -2.533 2.210 -9.171 1.00 0.00 H new ATOM 0 HB2 GLU A 837 -1.184 1.143 -11.646 1.00 0.00 H new ATOM 0 HB3 GLU A 837 -2.804 1.797 -11.781 1.00 0.00 H new ATOM 0 HG2 GLU A 837 -1.633 3.717 -12.175 1.00 0.00 H new ATOM 0 HG3 GLU A 837 -1.732 3.831 -10.430 1.00 0.00 H new ATOM 946 N ASP A 838 -2.956 -0.926 -10.061 1.00 0.00 N ATOM 947 CA ASP A 838 -3.929 -2.011 -10.120 1.00 0.00 C ATOM 948 C ASP A 838 -4.454 -2.345 -8.727 1.00 0.00 C ATOM 949 O ASP A 838 -5.661 -2.315 -8.483 1.00 0.00 O ATOM 950 CB ASP A 838 -3.302 -3.253 -10.754 1.00 0.00 C ATOM 951 CG ASP A 838 -4.327 -4.130 -11.446 1.00 0.00 C ATOM 952 OD1 ASP A 838 -5.514 -4.075 -11.058 1.00 0.00 O ATOM 953 OD2 ASP A 838 -3.944 -4.870 -12.376 1.00 0.00 O ATOM 0 H ASP A 838 -1.993 -1.213 -10.238 1.00 0.00 H new ATOM 0 HA ASP A 838 -4.766 -1.683 -10.736 1.00 0.00 H new ATOM 0 HB2 ASP A 838 -2.545 -2.946 -11.475 1.00 0.00 H new ATOM 0 HB3 ASP A 838 -2.793 -3.833 -9.984 1.00 0.00 H new ATOM 958 N LEU A 839 -3.541 -2.665 -7.817 1.00 0.00 N ATOM 959 CA LEU A 839 -3.911 -3.007 -6.448 1.00 0.00 C ATOM 960 C LEU A 839 -4.745 -1.896 -5.816 1.00 0.00 C ATOM 961 O LEU A 839 -5.891 -2.114 -5.422 1.00 0.00 O ATOM 962 CB LEU A 839 -2.658 -3.260 -5.608 1.00 0.00 C ATOM 963 CG LEU A 839 -1.896 -4.550 -5.912 1.00 0.00 C ATOM 964 CD1 LEU A 839 -0.575 -4.580 -5.158 1.00 0.00 C ATOM 965 CD2 LEU A 839 -2.741 -5.765 -5.558 1.00 0.00 C ATOM 0 H LEU A 839 -2.538 -2.695 -8.002 1.00 0.00 H new ATOM 0 HA LEU A 839 -4.511 -3.916 -6.476 1.00 0.00 H new ATOM 0 HB2 LEU A 839 -1.978 -2.419 -5.744 1.00 0.00 H new ATOM 0 HB3 LEU A 839 -2.946 -3.271 -4.557 1.00 0.00 H new ATOM 0 HG LEU A 839 -1.682 -4.580 -6.980 1.00 0.00 H new ATOM 0 HD11 LEU A 839 -0.046 -5.505 -5.387 1.00 0.00 H new ATOM 0 HD12 LEU A 839 0.036 -3.729 -5.460 1.00 0.00 H new ATOM 0 HD13 LEU A 839 -0.766 -4.527 -4.086 1.00 0.00 H new ATOM 0 HD21 LEU A 839 -2.183 -6.674 -5.781 1.00 0.00 H new ATOM 0 HD22 LEU A 839 -2.986 -5.741 -4.496 1.00 0.00 H new ATOM 0 HD23 LEU A 839 -3.661 -5.751 -6.143 1.00 0.00 H new ATOM 977 N PHE A 840 -4.163 -0.705 -5.725 1.00 0.00 N ATOM 978 CA PHE A 840 -4.852 0.440 -5.142 1.00 0.00 C ATOM 979 C PHE A 840 -6.230 0.624 -5.773 1.00 0.00 C ATOM 980 O PHE A 840 -7.244 0.669 -5.076 1.00 0.00 O ATOM 981 CB PHE A 840 -4.021 1.711 -5.327 1.00 0.00 C ATOM 982 CG PHE A 840 -4.769 2.970 -4.996 1.00 0.00 C ATOM 983 CD1 PHE A 840 -5.306 3.162 -3.734 1.00 0.00 C ATOM 984 CD2 PHE A 840 -4.936 3.963 -5.949 1.00 0.00 C ATOM 985 CE1 PHE A 840 -5.996 4.320 -3.426 1.00 0.00 C ATOM 986 CE2 PHE A 840 -5.624 5.123 -5.647 1.00 0.00 C ATOM 987 CZ PHE A 840 -6.155 5.301 -4.385 1.00 0.00 C ATOM 0 H PHE A 840 -3.216 -0.508 -6.048 1.00 0.00 H new ATOM 0 HA PHE A 840 -4.981 0.251 -4.076 1.00 0.00 H new ATOM 0 HB2 PHE A 840 -3.133 1.650 -4.698 1.00 0.00 H new ATOM 0 HB3 PHE A 840 -3.677 1.763 -6.360 1.00 0.00 H new ATOM 0 HD1 PHE A 840 -5.184 2.398 -2.981 1.00 0.00 H new ATOM 0 HD2 PHE A 840 -4.524 3.829 -6.938 1.00 0.00 H new ATOM 0 HE1 PHE A 840 -6.410 4.457 -2.438 1.00 0.00 H new ATOM 0 HE2 PHE A 840 -5.746 5.890 -6.398 1.00 0.00 H new ATOM 0 HZ PHE A 840 -6.694 6.206 -4.148 1.00 0.00 H new ATOM 997 N LYS A 841 -6.258 0.730 -7.097 1.00 0.00 N ATOM 998 CA LYS A 841 -7.509 0.909 -7.824 1.00 0.00 C ATOM 999 C LYS A 841 -8.520 -0.167 -7.440 1.00 0.00 C ATOM 1000 O LYS A 841 -9.688 0.127 -7.189 1.00 0.00 O ATOM 1001 CB LYS A 841 -7.256 0.871 -9.333 1.00 0.00 C ATOM 1002 CG LYS A 841 -6.619 2.139 -9.875 1.00 0.00 C ATOM 1003 CD LYS A 841 -6.069 1.931 -11.276 1.00 0.00 C ATOM 1004 CE LYS A 841 -7.117 2.234 -12.336 1.00 0.00 C ATOM 1005 NZ LYS A 841 -6.553 2.153 -13.712 1.00 0.00 N ATOM 0 H LYS A 841 -5.428 0.695 -7.689 1.00 0.00 H new ATOM 0 HA LYS A 841 -7.920 1.882 -7.555 1.00 0.00 H new ATOM 0 HB2 LYS A 841 -6.611 0.023 -9.564 1.00 0.00 H new ATOM 0 HB3 LYS A 841 -8.202 0.701 -9.847 1.00 0.00 H new ATOM 0 HG2 LYS A 841 -7.357 2.941 -9.888 1.00 0.00 H new ATOM 0 HG3 LYS A 841 -5.815 2.456 -9.211 1.00 0.00 H new ATOM 0 HD2 LYS A 841 -5.201 2.573 -11.427 1.00 0.00 H new ATOM 0 HD3 LYS A 841 -5.727 0.902 -11.385 1.00 0.00 H new ATOM 0 HE2 LYS A 841 -7.944 1.531 -12.240 1.00 0.00 H new ATOM 0 HE3 LYS A 841 -7.525 3.231 -12.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 -7.298 2.366 -14.406 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 -5.780 2.842 -13.812 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 -6.186 1.195 -13.881 1.00 0.00 H new ATOM 1019 N GLN A 842 -8.061 -1.414 -7.395 1.00 0.00 N ATOM 1020 CA GLN A 842 -8.926 -2.533 -7.040 1.00 0.00 C ATOM 1021 C GLN A 842 -9.673 -2.253 -5.741 1.00 0.00 C ATOM 1022 O GLN A 842 -10.901 -2.335 -5.689 1.00 0.00 O ATOM 1023 CB GLN A 842 -8.105 -3.817 -6.904 1.00 0.00 C ATOM 1024 CG GLN A 842 -7.920 -4.562 -8.216 1.00 0.00 C ATOM 1025 CD GLN A 842 -7.346 -5.952 -8.022 1.00 0.00 C ATOM 1026 OE1 GLN A 842 -8.010 -6.841 -7.488 1.00 0.00 O ATOM 1027 NE2 GLN A 842 -6.106 -6.146 -8.455 1.00 0.00 N ATOM 0 H GLN A 842 -7.096 -1.674 -7.600 1.00 0.00 H new ATOM 0 HA GLN A 842 -9.658 -2.661 -7.838 1.00 0.00 H new ATOM 0 HB2 GLN A 842 -7.125 -3.570 -6.494 1.00 0.00 H new ATOM 0 HB3 GLN A 842 -8.594 -4.477 -6.187 1.00 0.00 H new ATOM 0 HG2 GLN A 842 -8.881 -4.638 -8.725 1.00 0.00 H new ATOM 0 HG3 GLN A 842 -7.259 -3.988 -8.866 1.00 0.00 H new ATOM 0 HE21 GLN A 842 -5.593 -5.380 -8.892 1.00 0.00 H new ATOM 0 HE22 GLN A 842 -5.667 -7.061 -8.351 1.00 0.00 H new ATOM 1036 N TYR A 843 -8.926 -1.924 -4.693 1.00 0.00 N ATOM 1037 CA TYR A 843 -9.517 -1.635 -3.392 1.00 0.00 C ATOM 1038 C TYR A 843 -10.571 -0.538 -3.505 1.00 0.00 C ATOM 1039 O TYR A 843 -11.734 -0.740 -3.154 1.00 0.00 O ATOM 1040 CB TYR A 843 -8.433 -1.217 -2.398 1.00 0.00 C ATOM 1041 CG TYR A 843 -8.850 -1.361 -0.952 1.00 0.00 C ATOM 1042 CD1 TYR A 843 -9.668 -0.415 -0.346 1.00 0.00 C ATOM 1043 CD2 TYR A 843 -8.425 -2.443 -0.190 1.00 0.00 C ATOM 1044 CE1 TYR A 843 -10.051 -0.543 0.975 1.00 0.00 C ATOM 1045 CE2 TYR A 843 -8.804 -2.580 1.131 1.00 0.00 C ATOM 1046 CZ TYR A 843 -9.617 -1.627 1.709 1.00 0.00 C ATOM 1047 OH TYR A 843 -9.996 -1.758 3.026 1.00 0.00 O ATOM 0 H TYR A 843 -7.909 -1.851 -4.719 1.00 0.00 H new ATOM 0 HA TYR A 843 -10.001 -2.542 -3.031 1.00 0.00 H new ATOM 0 HB2 TYR A 843 -7.541 -1.819 -2.572 1.00 0.00 H new ATOM 0 HB3 TYR A 843 -8.159 -0.179 -2.587 1.00 0.00 H new ATOM 0 HD1 TYR A 843 -10.010 0.435 -0.918 1.00 0.00 H new ATOM 0 HD2 TYR A 843 -7.787 -3.190 -0.639 1.00 0.00 H new ATOM 0 HE1 TYR A 843 -10.687 0.202 1.431 1.00 0.00 H new ATOM 0 HE2 TYR A 843 -8.466 -3.428 1.708 1.00 0.00 H new ATOM 0 HH TYR A 843 -9.606 -2.576 3.399 1.00 0.00 H new ATOM 1057 N ILE A 844 -10.155 0.625 -3.997 1.00 0.00 N ATOM 1058 CA ILE A 844 -11.062 1.754 -4.157 1.00 0.00 C ATOM 1059 C ILE A 844 -12.323 1.343 -4.911 1.00 0.00 C ATOM 1060 O ILE A 844 -13.437 1.663 -4.497 1.00 0.00 O ATOM 1061 CB ILE A 844 -10.386 2.917 -4.906 1.00 0.00 C ATOM 1062 CG1 ILE A 844 -9.223 3.475 -4.083 1.00 0.00 C ATOM 1063 CG2 ILE A 844 -11.399 4.011 -5.211 1.00 0.00 C ATOM 1064 CD1 ILE A 844 -9.627 3.928 -2.697 1.00 0.00 C ATOM 0 H ILE A 844 -9.196 0.809 -4.291 1.00 0.00 H new ATOM 0 HA ILE A 844 -11.332 2.086 -3.155 1.00 0.00 H new ATOM 0 HB ILE A 844 -9.991 2.541 -5.850 1.00 0.00 H new ATOM 0 HG12 ILE A 844 -8.450 2.711 -3.996 1.00 0.00 H new ATOM 0 HG13 ILE A 844 -8.781 4.316 -4.617 1.00 0.00 H new ATOM 0 HG21 ILE A 844 -10.906 4.826 -5.741 1.00 0.00 H new ATOM 0 HG22 ILE A 844 -12.197 3.605 -5.832 1.00 0.00 H new ATOM 0 HG23 ILE A 844 -11.821 4.387 -4.279 1.00 0.00 H new ATOM 0 HD11 ILE A 844 -8.753 4.312 -2.170 1.00 0.00 H new ATOM 0 HD12 ILE A 844 -10.378 4.714 -2.776 1.00 0.00 H new ATOM 0 HD13 ILE A 844 -10.042 3.085 -2.145 1.00 0.00 H new ATOM 1076 N GLU A 845 -12.138 0.632 -6.019 1.00 0.00 N ATOM 1077 CA GLU A 845 -13.262 0.177 -6.829 1.00 0.00 C ATOM 1078 C GLU A 845 -14.299 -0.538 -5.969 1.00 0.00 C ATOM 1079 O GLU A 845 -15.500 -0.297 -6.095 1.00 0.00 O ATOM 1080 CB GLU A 845 -12.773 -0.756 -7.939 1.00 0.00 C ATOM 1081 CG GLU A 845 -13.895 -1.340 -8.781 1.00 0.00 C ATOM 1082 CD GLU A 845 -14.635 -2.458 -8.074 1.00 0.00 C ATOM 1083 OE1 GLU A 845 -13.971 -3.409 -7.612 1.00 0.00 O ATOM 1084 OE2 GLU A 845 -15.878 -2.382 -7.981 1.00 0.00 O ATOM 0 H GLU A 845 -11.222 0.359 -6.376 1.00 0.00 H new ATOM 0 HA GLU A 845 -13.731 1.052 -7.279 1.00 0.00 H new ATOM 0 HB2 GLU A 845 -12.090 -0.208 -8.588 1.00 0.00 H new ATOM 0 HB3 GLU A 845 -12.203 -1.571 -7.492 1.00 0.00 H new ATOM 0 HG2 GLU A 845 -14.600 -0.549 -9.039 1.00 0.00 H new ATOM 0 HG3 GLU A 845 -13.483 -1.717 -9.717 1.00 0.00 H new ATOM 1091 N LYS A 846 -13.827 -1.419 -5.093 1.00 0.00 N ATOM 1092 CA LYS A 846 -14.712 -2.170 -4.210 1.00 0.00 C ATOM 1093 C LYS A 846 -15.493 -1.231 -3.296 1.00 0.00 C ATOM 1094 O LYS A 846 -16.696 -1.403 -3.097 1.00 0.00 O ATOM 1095 CB LYS A 846 -13.905 -3.163 -3.370 1.00 0.00 C ATOM 1096 CG LYS A 846 -14.702 -4.381 -2.936 1.00 0.00 C ATOM 1097 CD LYS A 846 -13.898 -5.270 -2.003 1.00 0.00 C ATOM 1098 CE LYS A 846 -13.068 -6.284 -2.775 1.00 0.00 C ATOM 1099 NZ LYS A 846 -11.858 -5.664 -3.382 1.00 0.00 N ATOM 0 H LYS A 846 -12.836 -1.630 -4.976 1.00 0.00 H new ATOM 0 HA LYS A 846 -15.422 -2.719 -4.829 1.00 0.00 H new ATOM 0 HB2 LYS A 846 -13.039 -3.492 -3.944 1.00 0.00 H new ATOM 0 HB3 LYS A 846 -13.526 -2.653 -2.485 1.00 0.00 H new ATOM 0 HG2 LYS A 846 -15.616 -4.060 -2.436 1.00 0.00 H new ATOM 0 HG3 LYS A 846 -15.003 -4.952 -3.814 1.00 0.00 H new ATOM 0 HD2 LYS A 846 -13.242 -4.654 -1.388 1.00 0.00 H new ATOM 0 HD3 LYS A 846 -14.573 -5.792 -1.325 1.00 0.00 H new ATOM 0 HE2 LYS A 846 -12.766 -7.090 -2.107 1.00 0.00 H new ATOM 0 HE3 LYS A 846 -13.679 -6.732 -3.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 846 -11.078 -6.352 -3.381 1.00 0.00 H new ATOM 0 HZ2 LYS A 846 -12.067 -5.380 -4.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 846 -11.583 -4.827 -2.830 1.00 0.00 H new ATOM 1113 N ILE A 847 -14.802 -0.240 -2.744 1.00 0.00 N ATOM 1114 CA ILE A 847 -15.433 0.727 -1.854 1.00 0.00 C ATOM 1115 C ILE A 847 -16.595 1.433 -2.544 1.00 0.00 C ATOM 1116 O ILE A 847 -17.747 1.300 -2.132 1.00 0.00 O ATOM 1117 CB ILE A 847 -14.424 1.782 -1.364 1.00 0.00 C ATOM 1118 CG1 ILE A 847 -13.255 1.107 -0.644 1.00 0.00 C ATOM 1119 CG2 ILE A 847 -15.109 2.785 -0.447 1.00 0.00 C ATOM 1120 CD1 ILE A 847 -12.159 2.067 -0.238 1.00 0.00 C ATOM 0 H ILE A 847 -13.805 -0.085 -2.897 1.00 0.00 H new ATOM 0 HA ILE A 847 -15.808 0.169 -0.996 1.00 0.00 H new ATOM 0 HB ILE A 847 -14.033 2.317 -2.229 1.00 0.00 H new ATOM 0 HG12 ILE A 847 -13.630 0.600 0.245 1.00 0.00 H new ATOM 0 HG13 ILE A 847 -12.833 0.340 -1.294 1.00 0.00 H new ATOM 0 HG21 ILE A 847 -14.383 3.524 -0.109 1.00 0.00 H new ATOM 0 HG22 ILE A 847 -15.911 3.286 -0.990 1.00 0.00 H new ATOM 0 HG23 ILE A 847 -15.525 2.264 0.416 1.00 0.00 H new ATOM 0 HD11 ILE A 847 -11.364 1.519 0.267 1.00 0.00 H new ATOM 0 HD12 ILE A 847 -11.756 2.556 -1.125 1.00 0.00 H new ATOM 0 HD13 ILE A 847 -12.566 2.820 0.437 1.00 0.00 H new ATOM 1132 N ALA A 848 -16.285 2.183 -3.596 1.00 0.00 N ATOM 1133 CA ALA A 848 -17.304 2.907 -4.346 1.00 0.00 C ATOM 1134 C ALA A 848 -18.410 1.968 -4.815 1.00 0.00 C ATOM 1135 O ALA A 848 -19.595 2.249 -4.634 1.00 0.00 O ATOM 1136 CB ALA A 848 -16.677 3.622 -5.533 1.00 0.00 C ATOM 0 H ALA A 848 -15.336 2.305 -3.949 1.00 0.00 H new ATOM 0 HA ALA A 848 -17.750 3.649 -3.684 1.00 0.00 H new ATOM 0 HB1 ALA A 848 -17.449 4.158 -6.084 1.00 0.00 H new ATOM 0 HB2 ALA A 848 -15.928 4.329 -5.177 1.00 0.00 H new ATOM 0 HB3 ALA A 848 -16.204 2.892 -6.189 1.00 0.00 H new