USER MOD reduce.3.24.130724 H: found=0, std=0, add=464, rem=0, adj=14 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 Single : A 794 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 796 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 797 SER OG : rot 180:sc= 0 USER MOD Single : A 804 SER OG : rot -46:sc= 1.08 USER MOD Single : A 805 ASN : amide:sc= -3.17! C(o=-3.2!,f=-2.7!) USER MOD Single : A 806 HIS : no HE2:sc= -3.85! C(o=-3.8!,f=-5.7!) USER MOD Single : A 807 HIS : no HD1:sc= -0.135 X(o=-0.14,f=-0.33) USER MOD Single : A 810 SER OG : rot 180:sc=0.000667 USER MOD Single : A 811 GLN : amide:sc= -0.654 X(o=-0.65,f=-0.65) USER MOD Single : A 812 SER OG : rot 180:sc= 0 USER MOD Single : A 815 SER OG : rot 180:sc= 0 USER MOD Single : A 816 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.0957) 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 -52:sc= 0.104 USER MOD Single : A 827 TYR OH : rot -15:sc= -0.793 USER MOD Single : A 828 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 832 SER OG : rot 180:sc= 0 USER MOD Single : A 833 SER OG : rot 180:sc= 0 USER MOD Single : A 834 SER OG : rot 180:sc= 0 USER MOD Single : A 835 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 841 LYS NZ :NH3+ -156:sc= 0 (180deg=-0.324) USER MOD Single : A 842 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 843 TYR OH : rot 165:sc= -0.25 USER MOD Single : A 846 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 208 N GLU A 793 1.887 -12.533 -1.876 1.00 0.00 N ATOM 209 CA GLU A 793 0.697 -12.365 -1.049 1.00 0.00 C ATOM 210 C GLU A 793 0.978 -11.433 0.126 1.00 0.00 C ATOM 211 O GLU A 793 0.296 -10.425 0.311 1.00 0.00 O ATOM 212 CB GLU A 793 0.212 -13.722 -0.534 1.00 0.00 C ATOM 213 CG GLU A 793 -1.077 -13.642 0.268 1.00 0.00 C ATOM 214 CD GLU A 793 -1.282 -14.849 1.162 1.00 0.00 C ATOM 215 OE1 GLU A 793 -1.692 -15.909 0.643 1.00 0.00 O ATOM 216 OE2 GLU A 793 -1.034 -14.735 2.380 1.00 0.00 O ATOM 0 HA GLU A 793 -0.083 -11.918 -1.665 1.00 0.00 H new ATOM 0 HB2 GLU A 793 0.062 -14.391 -1.382 1.00 0.00 H new ATOM 0 HB3 GLU A 793 0.990 -14.165 0.088 1.00 0.00 H new ATOM 0 HG2 GLU A 793 -1.065 -12.739 0.879 1.00 0.00 H new ATOM 0 HG3 GLU A 793 -1.921 -13.553 -0.416 1.00 0.00 H new ATOM 223 N LYS A 794 1.987 -11.778 0.919 1.00 0.00 N ATOM 224 CA LYS A 794 2.360 -10.975 2.077 1.00 0.00 C ATOM 225 C LYS A 794 2.502 -9.504 1.695 1.00 0.00 C ATOM 226 O LYS A 794 1.898 -8.631 2.318 1.00 0.00 O ATOM 227 CB LYS A 794 3.672 -11.486 2.677 1.00 0.00 C ATOM 228 CG LYS A 794 4.027 -10.838 4.004 1.00 0.00 C ATOM 229 CD LYS A 794 3.082 -11.279 5.110 1.00 0.00 C ATOM 230 CE LYS A 794 3.611 -10.890 6.482 1.00 0.00 C ATOM 231 NZ LYS A 794 2.618 -11.166 7.557 1.00 0.00 N ATOM 0 H LYS A 794 2.561 -12.609 0.780 1.00 0.00 H new ATOM 0 HA LYS A 794 1.568 -11.065 2.821 1.00 0.00 H new ATOM 0 HB2 LYS A 794 3.602 -12.565 2.816 1.00 0.00 H new ATOM 0 HB3 LYS A 794 4.480 -11.308 1.967 1.00 0.00 H new ATOM 0 HG2 LYS A 794 5.051 -11.097 4.274 1.00 0.00 H new ATOM 0 HG3 LYS A 794 3.989 -9.753 3.902 1.00 0.00 H new ATOM 0 HD2 LYS A 794 2.102 -10.827 4.955 1.00 0.00 H new ATOM 0 HD3 LYS A 794 2.945 -12.359 5.064 1.00 0.00 H new ATOM 0 HE2 LYS A 794 4.530 -11.440 6.686 1.00 0.00 H new ATOM 0 HE3 LYS A 794 3.866 -9.830 6.486 1.00 0.00 H new ATOM 0 HZ1 LYS A 794 3.016 -10.887 8.477 1.00 0.00 H new ATOM 0 HZ2 LYS A 794 1.750 -10.622 7.376 1.00 0.00 H new ATOM 0 HZ3 LYS A 794 2.394 -12.181 7.570 1.00 0.00 H new ATOM 245 N ILE A 795 3.303 -9.239 0.669 1.00 0.00 N ATOM 246 CA ILE A 795 3.522 -7.875 0.204 1.00 0.00 C ATOM 247 C ILE A 795 2.207 -7.214 -0.197 1.00 0.00 C ATOM 248 O ILE A 795 1.946 -6.063 0.153 1.00 0.00 O ATOM 249 CB ILE A 795 4.489 -7.837 -0.994 1.00 0.00 C ATOM 250 CG1 ILE A 795 5.836 -8.451 -0.610 1.00 0.00 C ATOM 251 CG2 ILE A 795 4.672 -6.407 -1.482 1.00 0.00 C ATOM 252 CD1 ILE A 795 6.622 -8.972 -1.793 1.00 0.00 C ATOM 0 H ILE A 795 3.811 -9.951 0.144 1.00 0.00 H new ATOM 0 HA ILE A 795 3.964 -7.325 1.035 1.00 0.00 H new ATOM 0 HB ILE A 795 4.061 -8.425 -1.806 1.00 0.00 H new ATOM 0 HG12 ILE A 795 6.432 -7.702 -0.089 1.00 0.00 H new ATOM 0 HG13 ILE A 795 5.667 -9.268 0.092 1.00 0.00 H new ATOM 0 HG21 ILE A 795 5.358 -6.397 -2.329 1.00 0.00 H new ATOM 0 HG22 ILE A 795 3.708 -6.002 -1.791 1.00 0.00 H new ATOM 0 HG23 ILE A 795 5.081 -5.797 -0.676 1.00 0.00 H new ATOM 0 HD11 ILE A 795 7.566 -9.393 -1.446 1.00 0.00 H new ATOM 0 HD12 ILE A 795 6.045 -9.745 -2.301 1.00 0.00 H new ATOM 0 HD13 ILE A 795 6.822 -8.154 -2.485 1.00 0.00 H new ATOM 264 N LYS A 796 1.381 -7.950 -0.932 1.00 0.00 N ATOM 265 CA LYS A 796 0.091 -7.438 -1.379 1.00 0.00 C ATOM 266 C LYS A 796 -0.764 -7.007 -0.192 1.00 0.00 C ATOM 267 O LYS A 796 -1.376 -5.939 -0.211 1.00 0.00 O ATOM 268 CB LYS A 796 -0.648 -8.501 -2.194 1.00 0.00 C ATOM 269 CG LYS A 796 -1.742 -7.935 -3.083 1.00 0.00 C ATOM 270 CD LYS A 796 -2.501 -9.036 -3.804 1.00 0.00 C ATOM 271 CE LYS A 796 -3.477 -9.741 -2.874 1.00 0.00 C ATOM 272 NZ LYS A 796 -3.930 -11.046 -3.429 1.00 0.00 N ATOM 0 H LYS A 796 1.582 -8.904 -1.231 1.00 0.00 H new ATOM 0 HA LYS A 796 0.272 -6.567 -2.009 1.00 0.00 H new ATOM 0 HB2 LYS A 796 0.071 -9.037 -2.814 1.00 0.00 H new ATOM 0 HB3 LYS A 796 -1.086 -9.230 -1.512 1.00 0.00 H new ATOM 0 HG2 LYS A 796 -2.435 -7.349 -2.480 1.00 0.00 H new ATOM 0 HG3 LYS A 796 -1.303 -7.256 -3.814 1.00 0.00 H new ATOM 0 HD2 LYS A 796 -3.044 -8.612 -4.649 1.00 0.00 H new ATOM 0 HD3 LYS A 796 -1.795 -9.761 -4.210 1.00 0.00 H new ATOM 0 HE2 LYS A 796 -3.003 -9.903 -1.906 1.00 0.00 H new ATOM 0 HE3 LYS A 796 -4.342 -9.100 -2.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 796 -4.594 -11.494 -2.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 796 -4.405 -10.889 -4.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 796 -3.108 -11.668 -3.569 1.00 0.00 H new ATOM 286 N SER A 797 -0.800 -7.843 0.840 1.00 0.00 N ATOM 287 CA SER A 797 -1.582 -7.549 2.036 1.00 0.00 C ATOM 288 C SER A 797 -1.114 -6.250 2.685 1.00 0.00 C ATOM 289 O SER A 797 -1.923 -5.385 3.020 1.00 0.00 O ATOM 290 CB SER A 797 -1.475 -8.700 3.037 1.00 0.00 C ATOM 291 OG SER A 797 -2.271 -8.455 4.183 1.00 0.00 O ATOM 0 H SER A 797 -0.297 -8.730 0.873 1.00 0.00 H new ATOM 0 HA SER A 797 -2.624 -7.432 1.739 1.00 0.00 H new ATOM 0 HB2 SER A 797 -1.791 -9.629 2.563 1.00 0.00 H new ATOM 0 HB3 SER A 797 -0.435 -8.832 3.334 1.00 0.00 H new ATOM 0 HG SER A 797 -2.186 -9.206 4.807 1.00 0.00 H new ATOM 297 N ASP A 798 0.196 -6.122 2.858 1.00 0.00 N ATOM 298 CA ASP A 798 0.774 -4.928 3.466 1.00 0.00 C ATOM 299 C ASP A 798 0.297 -3.669 2.750 1.00 0.00 C ATOM 300 O ASP A 798 -0.199 -2.734 3.380 1.00 0.00 O ATOM 301 CB ASP A 798 2.301 -5.001 3.433 1.00 0.00 C ATOM 302 CG ASP A 798 2.865 -5.855 4.552 1.00 0.00 C ATOM 303 OD1 ASP A 798 2.125 -6.718 5.069 1.00 0.00 O ATOM 304 OD2 ASP A 798 4.045 -5.661 4.909 1.00 0.00 O ATOM 0 H ASP A 798 0.879 -6.830 2.586 1.00 0.00 H new ATOM 0 HA ASP A 798 0.443 -4.882 4.503 1.00 0.00 H new ATOM 0 HB2 ASP A 798 2.622 -5.407 2.473 1.00 0.00 H new ATOM 0 HB3 ASP A 798 2.712 -3.994 3.506 1.00 0.00 H new ATOM 309 N PHE A 799 0.451 -3.650 1.430 1.00 0.00 N ATOM 310 CA PHE A 799 0.038 -2.504 0.629 1.00 0.00 C ATOM 311 C PHE A 799 -1.407 -2.119 0.934 1.00 0.00 C ATOM 312 O PHE A 799 -1.697 -0.972 1.275 1.00 0.00 O ATOM 313 CB PHE A 799 0.191 -2.816 -0.862 1.00 0.00 C ATOM 314 CG PHE A 799 0.190 -1.592 -1.733 1.00 0.00 C ATOM 315 CD1 PHE A 799 1.180 -0.632 -1.602 1.00 0.00 C ATOM 316 CD2 PHE A 799 -0.801 -1.403 -2.683 1.00 0.00 C ATOM 317 CE1 PHE A 799 1.181 0.495 -2.403 1.00 0.00 C ATOM 318 CE2 PHE A 799 -0.805 -0.278 -3.487 1.00 0.00 C ATOM 319 CZ PHE A 799 0.188 0.672 -3.347 1.00 0.00 C ATOM 0 H PHE A 799 0.859 -4.415 0.893 1.00 0.00 H new ATOM 0 HA PHE A 799 0.681 -1.662 0.885 1.00 0.00 H new ATOM 0 HB2 PHE A 799 1.121 -3.362 -1.017 1.00 0.00 H new ATOM 0 HB3 PHE A 799 -0.620 -3.474 -1.173 1.00 0.00 H new ATOM 0 HD1 PHE A 799 1.959 -0.765 -0.866 1.00 0.00 H new ATOM 0 HD2 PHE A 799 -1.579 -2.143 -2.797 1.00 0.00 H new ATOM 0 HE1 PHE A 799 1.958 1.237 -2.291 1.00 0.00 H new ATOM 0 HE2 PHE A 799 -1.583 -0.142 -4.223 1.00 0.00 H new ATOM 0 HZ PHE A 799 0.188 1.551 -3.974 1.00 0.00 H new ATOM 329 N PHE A 800 -2.309 -3.086 0.808 1.00 0.00 N ATOM 330 CA PHE A 800 -3.725 -2.849 1.068 1.00 0.00 C ATOM 331 C PHE A 800 -3.932 -2.283 2.470 1.00 0.00 C ATOM 332 O PHE A 800 -4.667 -1.314 2.655 1.00 0.00 O ATOM 333 CB PHE A 800 -4.519 -4.147 0.908 1.00 0.00 C ATOM 334 CG PHE A 800 -4.815 -4.495 -0.523 1.00 0.00 C ATOM 335 CD1 PHE A 800 -5.301 -3.536 -1.397 1.00 0.00 C ATOM 336 CD2 PHE A 800 -4.609 -5.782 -0.994 1.00 0.00 C ATOM 337 CE1 PHE A 800 -5.575 -3.853 -2.714 1.00 0.00 C ATOM 338 CE2 PHE A 800 -4.881 -6.105 -2.310 1.00 0.00 C ATOM 339 CZ PHE A 800 -5.365 -5.139 -3.171 1.00 0.00 C ATOM 0 H PHE A 800 -2.086 -4.041 0.528 1.00 0.00 H new ATOM 0 HA PHE A 800 -4.085 -2.119 0.343 1.00 0.00 H new ATOM 0 HB2 PHE A 800 -3.960 -4.964 1.364 1.00 0.00 H new ATOM 0 HB3 PHE A 800 -5.458 -4.059 1.454 1.00 0.00 H new ATOM 0 HD1 PHE A 800 -5.468 -2.529 -1.045 1.00 0.00 H new ATOM 0 HD2 PHE A 800 -4.232 -6.541 -0.325 1.00 0.00 H new ATOM 0 HE1 PHE A 800 -5.953 -3.096 -3.385 1.00 0.00 H new ATOM 0 HE2 PHE A 800 -4.715 -7.111 -2.665 1.00 0.00 H new ATOM 0 HZ PHE A 800 -5.579 -5.389 -4.200 1.00 0.00 H new ATOM 349 N GLU A 801 -3.280 -2.896 3.452 1.00 0.00 N ATOM 350 CA GLU A 801 -3.394 -2.454 4.837 1.00 0.00 C ATOM 351 C GLU A 801 -3.223 -0.941 4.941 1.00 0.00 C ATOM 352 O GLU A 801 -4.114 -0.235 5.416 1.00 0.00 O ATOM 353 CB GLU A 801 -2.351 -3.157 5.708 1.00 0.00 C ATOM 354 CG GLU A 801 -2.696 -4.603 6.023 1.00 0.00 C ATOM 355 CD GLU A 801 -3.804 -4.728 7.050 1.00 0.00 C ATOM 356 OE1 GLU A 801 -4.852 -4.072 6.873 1.00 0.00 O ATOM 357 OE2 GLU A 801 -3.624 -5.481 8.030 1.00 0.00 O ATOM 0 H GLU A 801 -2.667 -3.700 3.315 1.00 0.00 H new ATOM 0 HA GLU A 801 -4.390 -2.715 5.194 1.00 0.00 H new ATOM 0 HB2 GLU A 801 -1.386 -3.124 5.202 1.00 0.00 H new ATOM 0 HB3 GLU A 801 -2.240 -2.607 6.642 1.00 0.00 H new ATOM 0 HG2 GLU A 801 -2.997 -5.109 5.106 1.00 0.00 H new ATOM 0 HG3 GLU A 801 -1.806 -5.113 6.391 1.00 0.00 H new ATOM 364 N LEU A 802 -2.073 -0.450 4.494 1.00 0.00 N ATOM 365 CA LEU A 802 -1.783 0.980 4.536 1.00 0.00 C ATOM 366 C LEU A 802 -2.901 1.781 3.877 1.00 0.00 C ATOM 367 O LEU A 802 -3.526 2.633 4.511 1.00 0.00 O ATOM 368 CB LEU A 802 -0.453 1.271 3.840 1.00 0.00 C ATOM 369 CG LEU A 802 -0.144 2.745 3.574 1.00 0.00 C ATOM 370 CD1 LEU A 802 0.242 3.451 4.864 1.00 0.00 C ATOM 371 CD2 LEU A 802 0.964 2.879 2.539 1.00 0.00 C ATOM 0 H LEU A 802 -1.326 -1.020 4.098 1.00 0.00 H new ATOM 0 HA LEU A 802 -1.712 1.281 5.581 1.00 0.00 H new ATOM 0 HB2 LEU A 802 0.351 0.856 4.448 1.00 0.00 H new ATOM 0 HB3 LEU A 802 -0.440 0.740 2.888 1.00 0.00 H new ATOM 0 HG LEU A 802 -1.043 3.219 3.179 1.00 0.00 H new ATOM 0 HD11 LEU A 802 0.458 4.499 4.655 1.00 0.00 H new ATOM 0 HD12 LEU A 802 -0.581 3.385 5.575 1.00 0.00 H new ATOM 0 HD13 LEU A 802 1.126 2.976 5.288 1.00 0.00 H new ATOM 0 HD21 LEU A 802 1.171 3.934 2.362 1.00 0.00 H new ATOM 0 HD22 LEU A 802 1.866 2.389 2.906 1.00 0.00 H new ATOM 0 HD23 LEU A 802 0.650 2.410 1.607 1.00 0.00 H new ATOM 383 N LEU A 803 -3.150 1.502 2.603 1.00 0.00 N ATOM 384 CA LEU A 803 -4.195 2.196 1.858 1.00 0.00 C ATOM 385 C LEU A 803 -5.461 2.337 2.697 1.00 0.00 C ATOM 386 O LEU A 803 -5.867 3.446 3.045 1.00 0.00 O ATOM 387 CB LEU A 803 -4.510 1.445 0.563 1.00 0.00 C ATOM 388 CG LEU A 803 -3.329 1.209 -0.380 1.00 0.00 C ATOM 389 CD1 LEU A 803 -3.721 0.255 -1.498 1.00 0.00 C ATOM 390 CD2 LEU A 803 -2.832 2.529 -0.953 1.00 0.00 C ATOM 0 H LEU A 803 -2.643 0.800 2.064 1.00 0.00 H new ATOM 0 HA LEU A 803 -3.830 3.194 1.614 1.00 0.00 H new ATOM 0 HB2 LEU A 803 -4.941 0.478 0.823 1.00 0.00 H new ATOM 0 HB3 LEU A 803 -5.276 2.000 0.022 1.00 0.00 H new ATOM 0 HG LEU A 803 -2.519 0.755 0.190 1.00 0.00 H new ATOM 0 HD11 LEU A 803 -2.868 0.099 -2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 803 -4.028 -0.700 -1.071 1.00 0.00 H new ATOM 0 HD13 LEU A 803 -4.548 0.681 -2.067 1.00 0.00 H new ATOM 0 HD21 LEU A 803 -1.992 2.342 -1.622 1.00 0.00 H new ATOM 0 HD22 LEU A 803 -3.637 3.011 -1.508 1.00 0.00 H new ATOM 0 HD23 LEU A 803 -2.511 3.181 -0.140 1.00 0.00 H new ATOM 402 N SER A 804 -6.078 1.205 3.022 1.00 0.00 N ATOM 403 CA SER A 804 -7.299 1.202 3.820 1.00 0.00 C ATOM 404 C SER A 804 -7.145 2.092 5.051 1.00 0.00 C ATOM 405 O SER A 804 -8.053 2.843 5.404 1.00 0.00 O ATOM 406 CB SER A 804 -7.650 -0.224 4.249 1.00 0.00 C ATOM 407 OG SER A 804 -6.794 -0.670 5.286 1.00 0.00 O ATOM 0 H SER A 804 -5.753 0.279 2.745 1.00 0.00 H new ATOM 0 HA SER A 804 -8.107 1.598 3.205 1.00 0.00 H new ATOM 0 HB2 SER A 804 -8.686 -0.261 4.587 1.00 0.00 H new ATOM 0 HB3 SER A 804 -7.570 -0.895 3.393 1.00 0.00 H new ATOM 0 HG SER A 804 -5.865 -0.455 5.058 1.00 0.00 H new ATOM 413 N ASN A 805 -5.989 1.999 5.699 1.00 0.00 N ATOM 414 CA ASN A 805 -5.715 2.795 6.891 1.00 0.00 C ATOM 415 C ASN A 805 -5.800 4.286 6.581 1.00 0.00 C ATOM 416 O ASN A 805 -6.099 5.097 7.458 1.00 0.00 O ATOM 417 CB ASN A 805 -4.331 2.456 7.448 1.00 0.00 C ATOM 418 CG ASN A 805 -4.188 0.985 7.786 1.00 0.00 C ATOM 419 OD1 ASN A 805 -5.165 0.316 8.122 1.00 0.00 O ATOM 420 ND2 ASN A 805 -2.965 0.475 7.700 1.00 0.00 N ATOM 0 H ASN A 805 -5.227 1.381 5.420 1.00 0.00 H new ATOM 0 HA ASN A 805 -6.470 2.555 7.640 1.00 0.00 H new ATOM 0 HB2 ASN A 805 -3.571 2.734 6.718 1.00 0.00 H new ATOM 0 HB3 ASN A 805 -4.147 3.051 8.342 1.00 0.00 H new ATOM 0 HD21 ASN A 805 -2.806 -0.509 7.917 1.00 0.00 H new ATOM 0 HD22 ASN A 805 -2.184 1.067 7.417 1.00 0.00 H new ATOM 427 N HIS A 806 -5.537 4.640 5.327 1.00 0.00 N ATOM 428 CA HIS A 806 -5.585 6.034 4.900 1.00 0.00 C ATOM 429 C HIS A 806 -7.020 6.466 4.615 1.00 0.00 C ATOM 430 O HIS A 806 -7.279 7.211 3.669 1.00 0.00 O ATOM 431 CB HIS A 806 -4.721 6.239 3.655 1.00 0.00 C ATOM 432 CG HIS A 806 -3.259 6.366 3.954 1.00 0.00 C ATOM 433 ND1 HIS A 806 -2.503 7.450 3.562 1.00 0.00 N ATOM 434 CD2 HIS A 806 -2.415 5.539 4.614 1.00 0.00 C ATOM 435 CE1 HIS A 806 -1.256 7.283 3.966 1.00 0.00 C ATOM 436 NE2 HIS A 806 -1.176 6.131 4.607 1.00 0.00 N ATOM 0 H HIS A 806 -5.289 3.981 4.589 1.00 0.00 H new ATOM 0 HA HIS A 806 -5.193 6.650 5.710 1.00 0.00 H new ATOM 0 HB2 HIS A 806 -4.873 5.400 2.976 1.00 0.00 H new ATOM 0 HB3 HIS A 806 -5.056 7.136 3.134 1.00 0.00 H new ATOM 0 HD1 HIS A 806 -2.852 8.255 3.042 1.00 0.00 H new ATOM 0 HD2 HIS A 806 -2.669 4.590 5.063 1.00 0.00 H new ATOM 0 HE1 HIS A 806 -0.441 7.972 3.800 1.00 0.00 H new ATOM 444 N HIS A 807 -7.950 5.992 5.438 1.00 0.00 N ATOM 445 CA HIS A 807 -9.360 6.329 5.273 1.00 0.00 C ATOM 446 C HIS A 807 -9.707 6.509 3.799 1.00 0.00 C ATOM 447 O HIS A 807 -10.230 7.549 3.396 1.00 0.00 O ATOM 448 CB HIS A 807 -9.695 7.604 6.047 1.00 0.00 C ATOM 449 CG HIS A 807 -11.155 7.760 6.343 1.00 0.00 C ATOM 450 ND1 HIS A 807 -12.005 6.689 6.518 1.00 0.00 N ATOM 451 CD2 HIS A 807 -11.914 8.870 6.496 1.00 0.00 C ATOM 452 CE1 HIS A 807 -13.225 7.133 6.764 1.00 0.00 C ATOM 453 NE2 HIS A 807 -13.196 8.454 6.756 1.00 0.00 N ATOM 0 H HIS A 807 -7.753 5.374 6.225 1.00 0.00 H new ATOM 0 HA HIS A 807 -9.954 5.505 5.670 1.00 0.00 H new ATOM 0 HB2 HIS A 807 -9.140 7.606 6.985 1.00 0.00 H new ATOM 0 HB3 HIS A 807 -9.355 8.467 5.474 1.00 0.00 H new ATOM 0 HD2 HIS A 807 -11.574 9.893 6.426 1.00 0.00 H new ATOM 0 HE1 HIS A 807 -14.097 6.521 6.941 1.00 0.00 H new ATOM 0 HE2 HIS A 807 -13.996 9.065 6.917 1.00 0.00 H new ATOM 461 N LEU A 808 -9.412 5.491 2.998 1.00 0.00 N ATOM 462 CA LEU A 808 -9.692 5.537 1.567 1.00 0.00 C ATOM 463 C LEU A 808 -11.104 6.051 1.305 1.00 0.00 C ATOM 464 O LEU A 808 -11.979 5.959 2.166 1.00 0.00 O ATOM 465 CB LEU A 808 -9.520 4.148 0.949 1.00 0.00 C ATOM 466 CG LEU A 808 -8.079 3.674 0.756 1.00 0.00 C ATOM 467 CD1 LEU A 808 -8.051 2.320 0.064 1.00 0.00 C ATOM 468 CD2 LEU A 808 -7.282 4.697 -0.039 1.00 0.00 C ATOM 0 H LEU A 808 -8.979 4.624 3.315 1.00 0.00 H new ATOM 0 HA LEU A 808 -8.983 6.224 1.105 1.00 0.00 H new ATOM 0 HB2 LEU A 808 -10.038 3.425 1.579 1.00 0.00 H new ATOM 0 HB3 LEU A 808 -10.017 4.139 -0.021 1.00 0.00 H new ATOM 0 HG LEU A 808 -7.618 3.568 1.738 1.00 0.00 H new ATOM 0 HD11 LEU A 808 -7.017 1.999 -0.065 1.00 0.00 H new ATOM 0 HD12 LEU A 808 -8.585 1.590 0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 808 -8.530 2.400 -0.912 1.00 0.00 H new ATOM 0 HD21 LEU A 808 -6.259 4.342 -0.166 1.00 0.00 H new ATOM 0 HD22 LEU A 808 -7.742 4.836 -1.017 1.00 0.00 H new ATOM 0 HD23 LEU A 808 -7.273 5.647 0.496 1.00 0.00 H new ATOM 480 N ASP A 809 -11.320 6.590 0.110 1.00 0.00 N ATOM 481 CA ASP A 809 -12.626 7.116 -0.267 1.00 0.00 C ATOM 482 C ASP A 809 -13.020 6.644 -1.663 1.00 0.00 C ATOM 483 O ASP A 809 -12.243 5.974 -2.344 1.00 0.00 O ATOM 484 CB ASP A 809 -12.619 8.645 -0.216 1.00 0.00 C ATOM 485 CG ASP A 809 -11.407 9.242 -0.904 1.00 0.00 C ATOM 486 OD1 ASP A 809 -10.320 9.250 -0.289 1.00 0.00 O ATOM 487 OD2 ASP A 809 -11.545 9.699 -2.057 1.00 0.00 O ATOM 0 H ASP A 809 -10.607 6.674 -0.614 1.00 0.00 H new ATOM 0 HA ASP A 809 -13.360 6.740 0.445 1.00 0.00 H new ATOM 0 HB2 ASP A 809 -13.525 9.025 -0.688 1.00 0.00 H new ATOM 0 HB3 ASP A 809 -12.640 8.971 0.824 1.00 0.00 H new ATOM 492 N SER A 810 -14.230 6.997 -2.083 1.00 0.00 N ATOM 493 CA SER A 810 -14.729 6.605 -3.396 1.00 0.00 C ATOM 494 C SER A 810 -13.999 7.361 -4.502 1.00 0.00 C ATOM 495 O SER A 810 -13.601 6.777 -5.509 1.00 0.00 O ATOM 496 CB SER A 810 -16.234 6.865 -3.492 1.00 0.00 C ATOM 497 OG SER A 810 -16.548 8.191 -3.105 1.00 0.00 O ATOM 0 H SER A 810 -14.884 7.554 -1.533 1.00 0.00 H new ATOM 0 HA SER A 810 -14.543 5.539 -3.525 1.00 0.00 H new ATOM 0 HB2 SER A 810 -16.572 6.691 -4.514 1.00 0.00 H new ATOM 0 HB3 SER A 810 -16.769 6.161 -2.855 1.00 0.00 H new ATOM 0 HG SER A 810 -17.515 8.332 -3.177 1.00 0.00 H new ATOM 503 N GLN A 811 -13.828 8.665 -4.306 1.00 0.00 N ATOM 504 CA GLN A 811 -13.147 9.501 -5.286 1.00 0.00 C ATOM 505 C GLN A 811 -11.666 9.641 -4.949 1.00 0.00 C ATOM 506 O GLN A 811 -11.040 10.653 -5.263 1.00 0.00 O ATOM 507 CB GLN A 811 -13.800 10.883 -5.350 1.00 0.00 C ATOM 508 CG GLN A 811 -13.695 11.544 -6.715 1.00 0.00 C ATOM 509 CD GLN A 811 -14.045 10.600 -7.848 1.00 0.00 C ATOM 510 OE1 GLN A 811 -15.210 10.253 -8.045 1.00 0.00 O ATOM 511 NE2 GLN A 811 -13.036 10.178 -8.601 1.00 0.00 N ATOM 0 H GLN A 811 -14.152 9.164 -3.478 1.00 0.00 H new ATOM 0 HA GLN A 811 -13.235 9.019 -6.260 1.00 0.00 H new ATOM 0 HB2 GLN A 811 -14.852 10.791 -5.080 1.00 0.00 H new ATOM 0 HB3 GLN A 811 -13.335 11.530 -4.606 1.00 0.00 H new ATOM 0 HG2 GLN A 811 -14.359 12.408 -6.748 1.00 0.00 H new ATOM 0 HG3 GLN A 811 -12.680 11.916 -6.857 1.00 0.00 H new ATOM 0 HE21 GLN A 811 -12.086 10.491 -8.402 1.00 0.00 H new ATOM 0 HE22 GLN A 811 -13.211 9.541 -9.378 1.00 0.00 H new ATOM 520 N SER A 812 -11.112 8.617 -4.307 1.00 0.00 N ATOM 521 CA SER A 812 -9.705 8.627 -3.922 1.00 0.00 C ATOM 522 C SER A 812 -8.806 8.568 -5.153 1.00 0.00 C ATOM 523 O SER A 812 -8.915 7.656 -5.973 1.00 0.00 O ATOM 524 CB SER A 812 -9.399 7.449 -2.996 1.00 0.00 C ATOM 525 OG SER A 812 -8.165 7.635 -2.325 1.00 0.00 O ATOM 0 H SER A 812 -11.616 7.770 -4.043 1.00 0.00 H new ATOM 0 HA SER A 812 -9.505 9.558 -3.391 1.00 0.00 H new ATOM 0 HB2 SER A 812 -10.201 7.339 -2.266 1.00 0.00 H new ATOM 0 HB3 SER A 812 -9.366 6.526 -3.575 1.00 0.00 H new ATOM 0 HG SER A 812 -7.993 6.869 -1.738 1.00 0.00 H new ATOM 531 N ARG A 813 -7.916 9.548 -5.275 1.00 0.00 N ATOM 532 CA ARG A 813 -6.998 9.610 -6.406 1.00 0.00 C ATOM 533 C ARG A 813 -5.657 8.973 -6.053 1.00 0.00 C ATOM 534 O ARG A 813 -5.177 9.098 -4.926 1.00 0.00 O ATOM 535 CB ARG A 813 -6.786 11.061 -6.841 1.00 0.00 C ATOM 536 CG ARG A 813 -6.329 11.205 -8.283 1.00 0.00 C ATOM 537 CD ARG A 813 -7.511 11.311 -9.234 1.00 0.00 C ATOM 538 NE ARG A 813 -7.126 11.870 -10.527 1.00 0.00 N ATOM 539 CZ ARG A 813 -7.857 11.746 -11.629 1.00 0.00 C ATOM 540 NH1 ARG A 813 -9.006 11.086 -11.595 1.00 0.00 N ATOM 541 NH2 ARG A 813 -7.439 12.283 -12.768 1.00 0.00 N ATOM 0 H ARG A 813 -7.811 10.310 -4.605 1.00 0.00 H new ATOM 0 HA ARG A 813 -7.441 9.052 -7.231 1.00 0.00 H new ATOM 0 HB2 ARG A 813 -7.718 11.611 -6.708 1.00 0.00 H new ATOM 0 HB3 ARG A 813 -6.047 11.523 -6.187 1.00 0.00 H new ATOM 0 HG2 ARG A 813 -5.702 12.091 -8.380 1.00 0.00 H new ATOM 0 HG3 ARG A 813 -5.715 10.348 -8.558 1.00 0.00 H new ATOM 0 HD2 ARG A 813 -7.947 10.323 -9.382 1.00 0.00 H new ATOM 0 HD3 ARG A 813 -8.283 11.936 -8.784 1.00 0.00 H new ATOM 0 HE ARG A 813 -6.247 12.384 -10.587 1.00 0.00 H new ATOM 0 HH11 ARG A 813 -9.331 10.672 -10.721 1.00 0.00 H new ATOM 0 HH12 ARG A 813 -9.566 10.992 -12.443 1.00 0.00 H new ATOM 0 HH21 ARG A 813 -6.555 12.792 -12.798 1.00 0.00 H new ATOM 0 HH22 ARG A 813 -8.001 12.187 -13.614 1.00 0.00 H new ATOM 555 N TRP A 814 -5.058 8.291 -7.022 1.00 0.00 N ATOM 556 CA TRP A 814 -3.773 7.634 -6.813 1.00 0.00 C ATOM 557 C TRP A 814 -2.676 8.658 -6.542 1.00 0.00 C ATOM 558 O TRP A 814 -2.118 8.707 -5.446 1.00 0.00 O ATOM 559 CB TRP A 814 -3.406 6.785 -8.031 1.00 0.00 C ATOM 560 CG TRP A 814 -2.019 6.222 -7.967 1.00 0.00 C ATOM 561 CD1 TRP A 814 -1.050 6.318 -8.926 1.00 0.00 C ATOM 562 CD2 TRP A 814 -1.446 5.475 -6.888 1.00 0.00 C ATOM 563 NE1 TRP A 814 0.090 5.675 -8.507 1.00 0.00 N ATOM 564 CE2 TRP A 814 -0.127 5.150 -7.261 1.00 0.00 C ATOM 565 CE3 TRP A 814 -1.918 5.051 -5.643 1.00 0.00 C ATOM 566 CZ2 TRP A 814 0.722 4.421 -6.432 1.00 0.00 C ATOM 567 CZ3 TRP A 814 -1.075 4.327 -4.823 1.00 0.00 C ATOM 568 CH2 TRP A 814 0.233 4.018 -5.219 1.00 0.00 C ATOM 0 H TRP A 814 -5.441 8.178 -7.960 1.00 0.00 H new ATOM 0 HA TRP A 814 -3.862 6.986 -5.941 1.00 0.00 H new ATOM 0 HB2 TRP A 814 -4.119 5.966 -8.122 1.00 0.00 H new ATOM 0 HB3 TRP A 814 -3.502 7.393 -8.931 1.00 0.00 H new ATOM 0 HD1 TRP A 814 -1.163 6.824 -9.873 1.00 0.00 H new ATOM 0 HE1 TRP A 814 0.958 5.601 -9.038 1.00 0.00 H new ATOM 0 HE3 TRP A 814 -2.924 5.285 -5.328 1.00 0.00 H new ATOM 0 HZ2 TRP A 814 1.731 4.182 -6.736 1.00 0.00 H new ATOM 0 HZ3 TRP A 814 -1.430 3.993 -3.859 1.00 0.00 H new ATOM 0 HH2 TRP A 814 0.868 3.451 -4.554 1.00 0.00 H new ATOM 579 N SER A 815 -2.372 9.473 -7.546 1.00 0.00 N ATOM 580 CA SER A 815 -1.339 10.494 -7.417 1.00 0.00 C ATOM 581 C SER A 815 -1.318 11.069 -6.004 1.00 0.00 C ATOM 582 O SER A 815 -0.254 11.270 -5.418 1.00 0.00 O ATOM 583 CB SER A 815 -1.569 11.614 -8.433 1.00 0.00 C ATOM 584 OG SER A 815 -0.427 12.446 -8.541 1.00 0.00 O ATOM 0 H SER A 815 -2.827 9.446 -8.459 1.00 0.00 H new ATOM 0 HA SER A 815 -0.374 10.027 -7.615 1.00 0.00 H new ATOM 0 HB2 SER A 815 -1.803 11.184 -9.407 1.00 0.00 H new ATOM 0 HB3 SER A 815 -2.431 12.210 -8.133 1.00 0.00 H new ATOM 0 HG SER A 815 -0.598 13.153 -9.197 1.00 0.00 H new ATOM 590 N LYS A 816 -2.502 11.332 -5.462 1.00 0.00 N ATOM 591 CA LYS A 816 -2.623 11.884 -4.117 1.00 0.00 C ATOM 592 C LYS A 816 -2.229 10.849 -3.068 1.00 0.00 C ATOM 593 O LYS A 816 -1.250 11.026 -2.343 1.00 0.00 O ATOM 594 CB LYS A 816 -4.055 12.361 -3.866 1.00 0.00 C ATOM 595 CG LYS A 816 -4.317 13.778 -4.347 1.00 0.00 C ATOM 596 CD LYS A 816 -4.404 13.845 -5.863 1.00 0.00 C ATOM 597 CE LYS A 816 -4.380 15.282 -6.359 1.00 0.00 C ATOM 598 NZ LYS A 816 -3.028 15.892 -6.231 1.00 0.00 N ATOM 0 H LYS A 816 -3.392 11.172 -5.933 1.00 0.00 H new ATOM 0 HA LYS A 816 -1.945 12.734 -4.037 1.00 0.00 H new ATOM 0 HB2 LYS A 816 -4.748 11.683 -4.365 1.00 0.00 H new ATOM 0 HB3 LYS A 816 -4.266 12.304 -2.798 1.00 0.00 H new ATOM 0 HG2 LYS A 816 -5.246 14.145 -3.912 1.00 0.00 H new ATOM 0 HG3 LYS A 816 -3.520 14.435 -3.998 1.00 0.00 H new ATOM 0 HD2 LYS A 816 -3.572 13.294 -6.301 1.00 0.00 H new ATOM 0 HD3 LYS A 816 -5.320 13.359 -6.198 1.00 0.00 H new ATOM 0 HE2 LYS A 816 -4.694 15.311 -7.402 1.00 0.00 H new ATOM 0 HE3 LYS A 816 -5.100 15.873 -5.793 1.00 0.00 H new ATOM 0 HZ1 LYS A 816 -3.005 16.796 -6.745 1.00 0.00 H new ATOM 0 HZ2 LYS A 816 -2.816 16.059 -5.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 816 -2.317 15.248 -6.632 1.00 0.00 H new ATOM 612 N VAL A 817 -2.998 9.767 -2.992 1.00 0.00 N ATOM 613 CA VAL A 817 -2.727 8.702 -2.033 1.00 0.00 C ATOM 614 C VAL A 817 -1.261 8.289 -2.070 1.00 0.00 C ATOM 615 O VAL A 817 -0.716 7.803 -1.079 1.00 0.00 O ATOM 616 CB VAL A 817 -3.605 7.466 -2.305 1.00 0.00 C ATOM 617 CG1 VAL A 817 -2.900 6.509 -3.254 1.00 0.00 C ATOM 618 CG2 VAL A 817 -3.962 6.770 -1.001 1.00 0.00 C ATOM 0 H VAL A 817 -3.813 9.605 -3.583 1.00 0.00 H new ATOM 0 HA VAL A 817 -2.965 9.097 -1.045 1.00 0.00 H new ATOM 0 HB VAL A 817 -4.529 7.795 -2.780 1.00 0.00 H new ATOM 0 HG11 VAL A 817 -3.535 5.642 -3.435 1.00 0.00 H new ATOM 0 HG12 VAL A 817 -2.700 7.015 -4.198 1.00 0.00 H new ATOM 0 HG13 VAL A 817 -1.959 6.183 -2.810 1.00 0.00 H new ATOM 0 HG21 VAL A 817 -4.583 5.899 -1.212 1.00 0.00 H new ATOM 0 HG22 VAL A 817 -3.050 6.452 -0.497 1.00 0.00 H new ATOM 0 HG23 VAL A 817 -4.510 7.459 -0.359 1.00 0.00 H new ATOM 628 N LYS A 818 -0.625 8.486 -3.220 1.00 0.00 N ATOM 629 CA LYS A 818 0.781 8.136 -3.387 1.00 0.00 C ATOM 630 C LYS A 818 1.682 9.165 -2.714 1.00 0.00 C ATOM 631 O LYS A 818 2.641 8.811 -2.028 1.00 0.00 O ATOM 632 CB LYS A 818 1.128 8.033 -4.874 1.00 0.00 C ATOM 633 CG LYS A 818 2.531 7.512 -5.136 1.00 0.00 C ATOM 634 CD LYS A 818 2.708 7.093 -6.586 1.00 0.00 C ATOM 635 CE LYS A 818 3.187 8.252 -7.447 1.00 0.00 C ATOM 636 NZ LYS A 818 4.672 8.357 -7.459 1.00 0.00 N ATOM 0 H LYS A 818 -1.061 8.886 -4.051 1.00 0.00 H new ATOM 0 HA LYS A 818 0.948 7.169 -2.913 1.00 0.00 H new ATOM 0 HB2 LYS A 818 0.408 7.376 -5.362 1.00 0.00 H new ATOM 0 HB3 LYS A 818 1.023 9.016 -5.332 1.00 0.00 H new ATOM 0 HG2 LYS A 818 3.259 8.284 -4.888 1.00 0.00 H new ATOM 0 HG3 LYS A 818 2.732 6.662 -4.484 1.00 0.00 H new ATOM 0 HD2 LYS A 818 3.425 6.274 -6.644 1.00 0.00 H new ATOM 0 HD3 LYS A 818 1.762 6.716 -6.975 1.00 0.00 H new ATOM 0 HE2 LYS A 818 2.824 8.121 -8.466 1.00 0.00 H new ATOM 0 HE3 LYS A 818 2.760 9.183 -7.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 818 4.959 9.159 -8.057 1.00 0.00 H new ATOM 0 HZ2 LYS A 818 5.017 8.507 -6.490 1.00 0.00 H new ATOM 0 HZ3 LYS A 818 5.079 7.479 -7.839 1.00 0.00 H new ATOM 650 N ASP A 819 1.367 10.441 -2.912 1.00 0.00 N ATOM 651 CA ASP A 819 2.147 11.522 -2.322 1.00 0.00 C ATOM 652 C ASP A 819 1.977 11.549 -0.806 1.00 0.00 C ATOM 653 O ASP A 819 2.823 12.079 -0.085 1.00 0.00 O ATOM 654 CB ASP A 819 1.728 12.866 -2.918 1.00 0.00 C ATOM 655 CG ASP A 819 0.588 13.509 -2.154 1.00 0.00 C ATOM 656 OD1 ASP A 819 0.763 13.786 -0.948 1.00 0.00 O ATOM 657 OD2 ASP A 819 -0.479 13.737 -2.761 1.00 0.00 O ATOM 0 H ASP A 819 0.576 10.751 -3.477 1.00 0.00 H new ATOM 0 HA ASP A 819 3.198 11.345 -2.549 1.00 0.00 H new ATOM 0 HB2 ASP A 819 2.584 13.541 -2.923 1.00 0.00 H new ATOM 0 HB3 ASP A 819 1.430 12.722 -3.957 1.00 0.00 H new ATOM 662 N LYS A 820 0.878 10.975 -0.328 1.00 0.00 N ATOM 663 CA LYS A 820 0.596 10.933 1.102 1.00 0.00 C ATOM 664 C LYS A 820 1.192 9.680 1.737 1.00 0.00 C ATOM 665 O LYS A 820 1.719 9.726 2.849 1.00 0.00 O ATOM 666 CB LYS A 820 -0.914 10.972 1.346 1.00 0.00 C ATOM 667 CG LYS A 820 -1.298 10.814 2.807 1.00 0.00 C ATOM 668 CD LYS A 820 -1.327 12.154 3.524 1.00 0.00 C ATOM 669 CE LYS A 820 -1.845 12.013 4.947 1.00 0.00 C ATOM 670 NZ LYS A 820 -1.839 13.315 5.670 1.00 0.00 N ATOM 0 H LYS A 820 0.168 10.532 -0.911 1.00 0.00 H new ATOM 0 HA LYS A 820 1.055 11.807 1.564 1.00 0.00 H new ATOM 0 HB2 LYS A 820 -1.309 11.918 0.975 1.00 0.00 H new ATOM 0 HB3 LYS A 820 -1.388 10.180 0.767 1.00 0.00 H new ATOM 0 HG2 LYS A 820 -2.278 10.341 2.878 1.00 0.00 H new ATOM 0 HG3 LYS A 820 -0.588 10.151 3.301 1.00 0.00 H new ATOM 0 HD2 LYS A 820 -0.324 12.580 3.541 1.00 0.00 H new ATOM 0 HD3 LYS A 820 -1.960 12.849 2.972 1.00 0.00 H new ATOM 0 HE2 LYS A 820 -2.859 11.613 4.927 1.00 0.00 H new ATOM 0 HE3 LYS A 820 -1.230 11.294 5.488 1.00 0.00 H new ATOM 0 HZ1 LYS A 820 -2.199 13.177 6.636 1.00 0.00 H new ATOM 0 HZ2 LYS A 820 -0.868 13.684 5.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 820 -2.446 13.994 5.168 1.00 0.00 H new ATOM 684 N VAL A 821 1.107 8.562 1.023 1.00 0.00 N ATOM 685 CA VAL A 821 1.640 7.298 1.516 1.00 0.00 C ATOM 686 C VAL A 821 3.158 7.251 1.380 1.00 0.00 C ATOM 687 O VAL A 821 3.841 6.605 2.173 1.00 0.00 O ATOM 688 CB VAL A 821 1.031 6.100 0.763 1.00 0.00 C ATOM 689 CG1 VAL A 821 -0.470 6.029 0.997 1.00 0.00 C ATOM 690 CG2 VAL A 821 1.343 6.192 -0.723 1.00 0.00 C ATOM 0 H VAL A 821 0.674 8.506 0.101 1.00 0.00 H new ATOM 0 HA VAL A 821 1.370 7.231 2.570 1.00 0.00 H new ATOM 0 HB VAL A 821 1.478 5.184 1.150 1.00 0.00 H new ATOM 0 HG11 VAL A 821 -0.882 5.177 0.457 1.00 0.00 H new ATOM 0 HG12 VAL A 821 -0.667 5.913 2.063 1.00 0.00 H new ATOM 0 HG13 VAL A 821 -0.938 6.946 0.639 1.00 0.00 H new ATOM 0 HG21 VAL A 821 0.906 5.338 -1.240 1.00 0.00 H new ATOM 0 HG22 VAL A 821 0.924 7.114 -1.126 1.00 0.00 H new ATOM 0 HG23 VAL A 821 2.423 6.190 -0.869 1.00 0.00 H new ATOM 700 N GLU A 822 3.678 7.942 0.370 1.00 0.00 N ATOM 701 CA GLU A 822 5.116 7.978 0.131 1.00 0.00 C ATOM 702 C GLU A 822 5.884 8.052 1.447 1.00 0.00 C ATOM 703 O GLU A 822 7.033 7.618 1.532 1.00 0.00 O ATOM 704 CB GLU A 822 5.478 9.175 -0.751 1.00 0.00 C ATOM 705 CG GLU A 822 5.425 10.507 -0.022 1.00 0.00 C ATOM 706 CD GLU A 822 6.710 10.817 0.720 1.00 0.00 C ATOM 707 OE1 GLU A 822 7.792 10.697 0.107 1.00 0.00 O ATOM 708 OE2 GLU A 822 6.635 11.179 1.913 1.00 0.00 O ATOM 0 H GLU A 822 3.126 8.484 -0.295 1.00 0.00 H new ATOM 0 HA GLU A 822 5.397 7.059 -0.383 1.00 0.00 H new ATOM 0 HB2 GLU A 822 6.481 9.030 -1.152 1.00 0.00 H new ATOM 0 HB3 GLU A 822 4.797 9.208 -1.601 1.00 0.00 H new ATOM 0 HG2 GLU A 822 5.223 11.302 -0.740 1.00 0.00 H new ATOM 0 HG3 GLU A 822 4.595 10.498 0.685 1.00 0.00 H new ATOM 715 N SER A 823 5.242 8.604 2.471 1.00 0.00 N ATOM 716 CA SER A 823 5.865 8.739 3.782 1.00 0.00 C ATOM 717 C SER A 823 5.695 7.462 4.599 1.00 0.00 C ATOM 718 O SER A 823 5.640 7.501 5.828 1.00 0.00 O ATOM 719 CB SER A 823 5.263 9.925 4.537 1.00 0.00 C ATOM 720 OG SER A 823 6.119 10.351 5.584 1.00 0.00 O ATOM 0 H SER A 823 4.290 8.965 2.418 1.00 0.00 H new ATOM 0 HA SER A 823 6.930 8.915 3.634 1.00 0.00 H new ATOM 0 HB2 SER A 823 5.090 10.750 3.846 1.00 0.00 H new ATOM 0 HB3 SER A 823 4.293 9.644 4.947 1.00 0.00 H new ATOM 0 HG SER A 823 6.350 9.585 6.150 1.00 0.00 H new ATOM 726 N ASP A 824 5.610 6.331 3.907 1.00 0.00 N ATOM 727 CA ASP A 824 5.447 5.041 4.566 1.00 0.00 C ATOM 728 C ASP A 824 6.432 4.018 4.010 1.00 0.00 C ATOM 729 O ASP A 824 6.689 3.957 2.808 1.00 0.00 O ATOM 730 CB ASP A 824 4.014 4.534 4.393 1.00 0.00 C ATOM 731 CG ASP A 824 3.661 3.446 5.388 1.00 0.00 C ATOM 732 OD1 ASP A 824 4.136 2.304 5.213 1.00 0.00 O ATOM 733 OD2 ASP A 824 2.910 3.737 6.343 1.00 0.00 O ATOM 0 H ASP A 824 5.651 6.282 2.889 1.00 0.00 H new ATOM 0 HA ASP A 824 5.652 5.175 5.628 1.00 0.00 H new ATOM 0 HB2 ASP A 824 3.321 5.367 4.509 1.00 0.00 H new ATOM 0 HB3 ASP A 824 3.887 4.151 3.380 1.00 0.00 H new ATOM 738 N PRO A 825 6.998 3.194 4.905 1.00 0.00 N ATOM 739 CA PRO A 825 7.965 2.159 4.527 1.00 0.00 C ATOM 740 C PRO A 825 7.319 1.022 3.743 1.00 0.00 C ATOM 741 O PRO A 825 7.956 0.405 2.889 1.00 0.00 O ATOM 742 CB PRO A 825 8.486 1.652 5.874 1.00 0.00 C ATOM 743 CG PRO A 825 7.389 1.945 6.839 1.00 0.00 C ATOM 744 CD PRO A 825 6.738 3.211 6.354 1.00 0.00 C ATOM 0 HA PRO A 825 8.745 2.548 3.872 1.00 0.00 H new ATOM 0 HB2 PRO A 825 8.706 0.585 5.837 1.00 0.00 H new ATOM 0 HB3 PRO A 825 9.409 2.158 6.158 1.00 0.00 H new ATOM 0 HG2 PRO A 825 6.671 1.126 6.874 1.00 0.00 H new ATOM 0 HG3 PRO A 825 7.780 2.069 7.849 1.00 0.00 H new ATOM 0 HD2 PRO A 825 5.670 3.222 6.571 1.00 0.00 H new ATOM 0 HD3 PRO A 825 7.169 4.092 6.829 1.00 0.00 H new ATOM 752 N ARG A 826 6.053 0.750 4.039 1.00 0.00 N ATOM 753 CA ARG A 826 5.321 -0.314 3.362 1.00 0.00 C ATOM 754 C ARG A 826 5.220 -0.037 1.865 1.00 0.00 C ATOM 755 O ARG A 826 5.291 -0.955 1.047 1.00 0.00 O ATOM 756 CB ARG A 826 3.921 -0.461 3.960 1.00 0.00 C ATOM 757 CG ARG A 826 3.918 -1.029 5.370 1.00 0.00 C ATOM 758 CD ARG A 826 2.531 -0.969 5.991 1.00 0.00 C ATOM 759 NE ARG A 826 2.290 0.301 6.672 1.00 0.00 N ATOM 760 CZ ARG A 826 1.221 0.541 7.423 1.00 0.00 C ATOM 761 NH1 ARG A 826 0.299 -0.397 7.588 1.00 0.00 N ATOM 762 NH2 ARG A 826 1.073 1.722 8.010 1.00 0.00 N ATOM 0 H ARG A 826 5.512 1.252 4.743 1.00 0.00 H new ATOM 0 HA ARG A 826 5.869 -1.245 3.506 1.00 0.00 H new ATOM 0 HB2 ARG A 826 3.435 0.514 3.969 1.00 0.00 H new ATOM 0 HB3 ARG A 826 3.326 -1.108 3.315 1.00 0.00 H new ATOM 0 HG2 ARG A 826 4.264 -2.062 5.348 1.00 0.00 H new ATOM 0 HG3 ARG A 826 4.620 -0.471 5.990 1.00 0.00 H new ATOM 0 HD2 ARG A 826 1.780 -1.112 5.214 1.00 0.00 H new ATOM 0 HD3 ARG A 826 2.416 -1.788 6.701 1.00 0.00 H new ATOM 0 HE ARG A 826 2.981 1.044 6.565 1.00 0.00 H new ATOM 0 HH11 ARG A 826 0.410 -1.306 7.138 1.00 0.00 H new ATOM 0 HH12 ARG A 826 -0.521 -0.210 8.165 1.00 0.00 H new ATOM 0 HH21 ARG A 826 1.780 2.446 7.885 1.00 0.00 H new ATOM 0 HH22 ARG A 826 0.252 1.906 8.587 1.00 0.00 H new ATOM 776 N TYR A 827 5.054 1.233 1.514 1.00 0.00 N ATOM 777 CA TYR A 827 4.939 1.631 0.116 1.00 0.00 C ATOM 778 C TYR A 827 6.211 1.288 -0.654 1.00 0.00 C ATOM 779 O TYR A 827 6.190 1.133 -1.875 1.00 0.00 O ATOM 780 CB TYR A 827 4.656 3.131 0.013 1.00 0.00 C ATOM 781 CG TYR A 827 4.902 3.700 -1.367 1.00 0.00 C ATOM 782 CD1 TYR A 827 6.192 3.952 -1.816 1.00 0.00 C ATOM 783 CD2 TYR A 827 3.844 3.984 -2.221 1.00 0.00 C ATOM 784 CE1 TYR A 827 6.421 4.472 -3.075 1.00 0.00 C ATOM 785 CE2 TYR A 827 4.063 4.503 -3.482 1.00 0.00 C ATOM 786 CZ TYR A 827 5.354 4.746 -3.904 1.00 0.00 C ATOM 787 OH TYR A 827 5.578 5.263 -5.160 1.00 0.00 O ATOM 0 H TYR A 827 4.996 2.005 2.178 1.00 0.00 H new ATOM 0 HA TYR A 827 4.109 1.080 -0.326 1.00 0.00 H new ATOM 0 HB2 TYR A 827 3.619 3.317 0.294 1.00 0.00 H new ATOM 0 HB3 TYR A 827 5.281 3.660 0.732 1.00 0.00 H new ATOM 0 HD1 TYR A 827 7.030 3.738 -1.170 1.00 0.00 H new ATOM 0 HD2 TYR A 827 2.832 3.796 -1.893 1.00 0.00 H new ATOM 0 HE1 TYR A 827 7.430 4.663 -3.408 1.00 0.00 H new ATOM 0 HE2 TYR A 827 3.229 4.717 -4.134 1.00 0.00 H new ATOM 0 HH TYR A 827 6.498 5.596 -5.217 1.00 0.00 H new ATOM 797 N LYS A 828 7.319 1.170 0.070 1.00 0.00 N ATOM 798 CA LYS A 828 8.602 0.843 -0.542 1.00 0.00 C ATOM 799 C LYS A 828 8.689 -0.646 -0.860 1.00 0.00 C ATOM 800 O LYS A 828 9.399 -1.053 -1.778 1.00 0.00 O ATOM 801 CB LYS A 828 9.750 1.246 0.387 1.00 0.00 C ATOM 802 CG LYS A 828 9.932 2.748 0.513 1.00 0.00 C ATOM 803 CD LYS A 828 10.675 3.115 1.787 1.00 0.00 C ATOM 804 CE LYS A 828 12.173 2.898 1.640 1.00 0.00 C ATOM 805 NZ LYS A 828 12.948 3.688 2.637 1.00 0.00 N ATOM 0 H LYS A 828 7.354 1.296 1.082 1.00 0.00 H new ATOM 0 HA LYS A 828 8.685 1.401 -1.475 1.00 0.00 H new ATOM 0 HB2 LYS A 828 9.570 0.826 1.377 1.00 0.00 H new ATOM 0 HB3 LYS A 828 10.676 0.806 0.018 1.00 0.00 H new ATOM 0 HG2 LYS A 828 10.482 3.122 -0.351 1.00 0.00 H new ATOM 0 HG3 LYS A 828 8.957 3.235 0.506 1.00 0.00 H new ATOM 0 HD2 LYS A 828 10.480 4.158 2.036 1.00 0.00 H new ATOM 0 HD3 LYS A 828 10.299 2.514 2.615 1.00 0.00 H new ATOM 0 HE2 LYS A 828 12.400 1.839 1.760 1.00 0.00 H new ATOM 0 HE3 LYS A 828 12.484 3.178 0.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 828 13.965 3.513 2.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 828 12.751 4.701 2.506 1.00 0.00 H new ATOM 0 HZ3 LYS A 828 12.670 3.403 3.598 1.00 0.00 H new ATOM 819 N ALA A 829 7.962 -1.453 -0.095 1.00 0.00 N ATOM 820 CA ALA A 829 7.955 -2.897 -0.298 1.00 0.00 C ATOM 821 C ALA A 829 7.623 -3.246 -1.745 1.00 0.00 C ATOM 822 O ALA A 829 8.242 -4.130 -2.338 1.00 0.00 O ATOM 823 CB ALA A 829 6.962 -3.558 0.648 1.00 0.00 C ATOM 0 H ALA A 829 7.370 -1.132 0.671 1.00 0.00 H new ATOM 0 HA ALA A 829 8.954 -3.275 -0.081 1.00 0.00 H new ATOM 0 HB1 ALA A 829 6.967 -4.636 0.486 1.00 0.00 H new ATOM 0 HB2 ALA A 829 7.245 -3.345 1.679 1.00 0.00 H new ATOM 0 HB3 ALA A 829 5.962 -3.167 0.458 1.00 0.00 H new ATOM 829 N VAL A 830 6.642 -2.548 -2.307 1.00 0.00 N ATOM 830 CA VAL A 830 6.229 -2.784 -3.685 1.00 0.00 C ATOM 831 C VAL A 830 7.165 -2.089 -4.667 1.00 0.00 C ATOM 832 O VAL A 830 7.365 -0.877 -4.598 1.00 0.00 O ATOM 833 CB VAL A 830 4.789 -2.293 -3.931 1.00 0.00 C ATOM 834 CG1 VAL A 830 4.333 -2.659 -5.336 1.00 0.00 C ATOM 835 CG2 VAL A 830 3.845 -2.870 -2.888 1.00 0.00 C ATOM 0 H VAL A 830 6.118 -1.814 -1.829 1.00 0.00 H new ATOM 0 HA VAL A 830 6.272 -3.861 -3.848 1.00 0.00 H new ATOM 0 HB VAL A 830 4.773 -1.207 -3.841 1.00 0.00 H new ATOM 0 HG11 VAL A 830 3.314 -2.304 -5.492 1.00 0.00 H new ATOM 0 HG12 VAL A 830 4.995 -2.193 -6.066 1.00 0.00 H new ATOM 0 HG13 VAL A 830 4.363 -3.742 -5.458 1.00 0.00 H new ATOM 0 HG21 VAL A 830 2.832 -2.513 -3.077 1.00 0.00 H new ATOM 0 HG22 VAL A 830 3.862 -3.958 -2.944 1.00 0.00 H new ATOM 0 HG23 VAL A 830 4.162 -2.553 -1.895 1.00 0.00 H new ATOM 845 N ASP A 831 7.737 -2.866 -5.581 1.00 0.00 N ATOM 846 CA ASP A 831 8.653 -2.325 -6.579 1.00 0.00 C ATOM 847 C ASP A 831 7.932 -2.079 -7.901 1.00 0.00 C ATOM 848 O ASP A 831 8.117 -1.042 -8.536 1.00 0.00 O ATOM 849 CB ASP A 831 9.828 -3.280 -6.795 1.00 0.00 C ATOM 850 CG ASP A 831 10.335 -3.877 -5.496 1.00 0.00 C ATOM 851 OD1 ASP A 831 10.335 -3.159 -4.474 1.00 0.00 O ATOM 852 OD2 ASP A 831 10.731 -5.061 -5.502 1.00 0.00 O ATOM 0 H ASP A 831 7.583 -3.872 -5.651 1.00 0.00 H new ATOM 0 HA ASP A 831 9.033 -1.372 -6.210 1.00 0.00 H new ATOM 0 HB2 ASP A 831 9.521 -4.083 -7.465 1.00 0.00 H new ATOM 0 HB3 ASP A 831 10.641 -2.746 -7.288 1.00 0.00 H new ATOM 857 N SER A 832 7.111 -3.042 -8.309 1.00 0.00 N ATOM 858 CA SER A 832 6.366 -2.932 -9.558 1.00 0.00 C ATOM 859 C SER A 832 5.276 -1.870 -9.449 1.00 0.00 C ATOM 860 O SER A 832 4.250 -2.082 -8.802 1.00 0.00 O ATOM 861 CB SER A 832 5.745 -4.281 -9.926 1.00 0.00 C ATOM 862 OG SER A 832 6.723 -5.306 -9.939 1.00 0.00 O ATOM 0 H SER A 832 6.945 -3.906 -7.793 1.00 0.00 H new ATOM 0 HA SER A 832 7.062 -2.634 -10.342 1.00 0.00 H new ATOM 0 HB2 SER A 832 4.961 -4.531 -9.211 1.00 0.00 H new ATOM 0 HB3 SER A 832 5.273 -4.212 -10.906 1.00 0.00 H new ATOM 0 HG SER A 832 6.301 -6.158 -10.175 1.00 0.00 H new ATOM 868 N SER A 833 5.506 -0.727 -10.087 1.00 0.00 N ATOM 869 CA SER A 833 4.546 0.371 -10.059 1.00 0.00 C ATOM 870 C SER A 833 3.146 -0.123 -10.411 1.00 0.00 C ATOM 871 O SER A 833 2.175 0.188 -9.722 1.00 0.00 O ATOM 872 CB SER A 833 4.971 1.472 -11.032 1.00 0.00 C ATOM 873 OG SER A 833 6.199 2.057 -10.635 1.00 0.00 O ATOM 0 H SER A 833 6.349 -0.537 -10.630 1.00 0.00 H new ATOM 0 HA SER A 833 4.525 0.778 -9.048 1.00 0.00 H new ATOM 0 HB2 SER A 833 5.070 1.057 -12.035 1.00 0.00 H new ATOM 0 HB3 SER A 833 4.198 2.239 -11.079 1.00 0.00 H new ATOM 0 HG SER A 833 6.450 2.756 -11.274 1.00 0.00 H new ATOM 879 N SER A 834 3.052 -0.893 -11.490 1.00 0.00 N ATOM 880 CA SER A 834 1.771 -1.428 -11.937 1.00 0.00 C ATOM 881 C SER A 834 0.964 -1.963 -10.759 1.00 0.00 C ATOM 882 O SER A 834 -0.237 -1.716 -10.651 1.00 0.00 O ATOM 883 CB SER A 834 1.989 -2.538 -12.967 1.00 0.00 C ATOM 884 OG SER A 834 2.232 -1.998 -14.255 1.00 0.00 O ATOM 0 H SER A 834 3.847 -1.160 -12.071 1.00 0.00 H new ATOM 0 HA SER A 834 1.209 -0.617 -12.401 1.00 0.00 H new ATOM 0 HB2 SER A 834 2.832 -3.159 -12.664 1.00 0.00 H new ATOM 0 HB3 SER A 834 1.113 -3.185 -13.000 1.00 0.00 H new ATOM 0 HG SER A 834 2.370 -2.727 -14.895 1.00 0.00 H new ATOM 890 N MET A 835 1.633 -2.698 -9.877 1.00 0.00 N ATOM 891 CA MET A 835 0.979 -3.268 -8.704 1.00 0.00 C ATOM 892 C MET A 835 0.361 -2.174 -7.840 1.00 0.00 C ATOM 893 O MET A 835 -0.759 -2.316 -7.349 1.00 0.00 O ATOM 894 CB MET A 835 1.980 -4.081 -7.880 1.00 0.00 C ATOM 895 CG MET A 835 2.613 -5.227 -8.652 1.00 0.00 C ATOM 896 SD MET A 835 1.490 -6.620 -8.872 1.00 0.00 S ATOM 897 CE MET A 835 1.742 -7.505 -7.336 1.00 0.00 C ATOM 0 H MET A 835 2.627 -2.913 -9.952 1.00 0.00 H new ATOM 0 HA MET A 835 0.182 -3.927 -9.048 1.00 0.00 H new ATOM 0 HB2 MET A 835 2.767 -3.417 -7.521 1.00 0.00 H new ATOM 0 HB3 MET A 835 1.475 -4.481 -7.001 1.00 0.00 H new ATOM 0 HG2 MET A 835 2.935 -4.867 -9.629 1.00 0.00 H new ATOM 0 HG3 MET A 835 3.506 -5.565 -8.126 1.00 0.00 H new ATOM 0 HE1 MET A 835 1.113 -8.395 -7.322 1.00 0.00 H new ATOM 0 HE2 MET A 835 2.788 -7.798 -7.252 1.00 0.00 H new ATOM 0 HE3 MET A 835 1.478 -6.861 -6.497 1.00 0.00 H new ATOM 907 N ARG A 836 1.098 -1.083 -7.659 1.00 0.00 N ATOM 908 CA ARG A 836 0.622 0.035 -6.853 1.00 0.00 C ATOM 909 C ARG A 836 -0.670 0.609 -7.428 1.00 0.00 C ATOM 910 O ARG A 836 -1.669 0.740 -6.722 1.00 0.00 O ATOM 911 CB ARG A 836 1.689 1.128 -6.778 1.00 0.00 C ATOM 912 CG ARG A 836 3.018 0.645 -6.219 1.00 0.00 C ATOM 913 CD ARG A 836 4.084 1.727 -6.302 1.00 0.00 C ATOM 914 NE ARG A 836 5.432 1.175 -6.207 1.00 0.00 N ATOM 915 CZ ARG A 836 6.535 1.901 -6.351 1.00 0.00 C ATOM 916 NH1 ARG A 836 6.450 3.201 -6.595 1.00 0.00 N ATOM 917 NH2 ARG A 836 7.727 1.326 -6.251 1.00 0.00 N ATOM 0 H ARG A 836 2.027 -0.949 -8.059 1.00 0.00 H new ATOM 0 HA ARG A 836 0.419 -0.335 -5.848 1.00 0.00 H new ATOM 0 HB2 ARG A 836 1.851 1.535 -7.776 1.00 0.00 H new ATOM 0 HB3 ARG A 836 1.318 1.944 -6.157 1.00 0.00 H new ATOM 0 HG2 ARG A 836 2.888 0.340 -5.181 1.00 0.00 H new ATOM 0 HG3 ARG A 836 3.348 -0.235 -6.771 1.00 0.00 H new ATOM 0 HD2 ARG A 836 3.979 2.268 -7.243 1.00 0.00 H new ATOM 0 HD3 ARG A 836 3.931 2.449 -5.500 1.00 0.00 H new ATOM 0 HE ARG A 836 5.532 0.177 -6.020 1.00 0.00 H new ATOM 0 HH11 ARG A 836 5.536 3.647 -6.673 1.00 0.00 H new ATOM 0 HH12 ARG A 836 7.299 3.756 -6.705 1.00 0.00 H new ATOM 0 HH21 ARG A 836 7.797 0.326 -6.063 1.00 0.00 H new ATOM 0 HH22 ARG A 836 8.573 1.884 -6.362 1.00 0.00 H new ATOM 931 N GLU A 837 -0.640 0.950 -8.712 1.00 0.00 N ATOM 932 CA GLU A 837 -1.808 1.511 -9.381 1.00 0.00 C ATOM 933 C GLU A 837 -2.963 0.514 -9.385 1.00 0.00 C ATOM 934 O GLU A 837 -4.035 0.788 -8.846 1.00 0.00 O ATOM 935 CB GLU A 837 -1.459 1.911 -10.816 1.00 0.00 C ATOM 936 CG GLU A 837 -0.862 3.303 -10.932 1.00 0.00 C ATOM 937 CD GLU A 837 -0.306 3.587 -12.314 1.00 0.00 C ATOM 938 OE1 GLU A 837 -0.898 3.105 -13.302 1.00 0.00 O ATOM 939 OE2 GLU A 837 0.721 4.290 -12.407 1.00 0.00 O ATOM 0 H GLU A 837 0.180 0.848 -9.310 1.00 0.00 H new ATOM 0 HA GLU A 837 -2.119 2.399 -8.830 1.00 0.00 H new ATOM 0 HB2 GLU A 837 -0.754 1.187 -11.225 1.00 0.00 H new ATOM 0 HB3 GLU A 837 -2.360 1.859 -11.428 1.00 0.00 H new ATOM 0 HG2 GLU A 837 -1.626 4.043 -10.693 1.00 0.00 H new ATOM 0 HG3 GLU A 837 -0.067 3.416 -10.195 1.00 0.00 H new ATOM 946 N ASP A 838 -2.736 -0.642 -9.998 1.00 0.00 N ATOM 947 CA ASP A 838 -3.757 -1.681 -10.074 1.00 0.00 C ATOM 948 C ASP A 838 -4.367 -1.944 -8.700 1.00 0.00 C ATOM 949 O ASP A 838 -5.567 -1.755 -8.496 1.00 0.00 O ATOM 950 CB ASP A 838 -3.161 -2.972 -10.636 1.00 0.00 C ATOM 951 CG ASP A 838 -4.185 -3.808 -11.378 1.00 0.00 C ATOM 952 OD1 ASP A 838 -5.390 -3.677 -11.075 1.00 0.00 O ATOM 953 OD2 ASP A 838 -3.782 -4.593 -12.261 1.00 0.00 O ATOM 0 H ASP A 838 -1.854 -0.884 -10.450 1.00 0.00 H new ATOM 0 HA ASP A 838 -4.545 -1.333 -10.742 1.00 0.00 H new ATOM 0 HB2 ASP A 838 -2.340 -2.726 -11.310 1.00 0.00 H new ATOM 0 HB3 ASP A 838 -2.739 -3.559 -9.820 1.00 0.00 H new ATOM 958 N LEU A 839 -3.534 -2.381 -7.762 1.00 0.00 N ATOM 959 CA LEU A 839 -3.991 -2.671 -6.408 1.00 0.00 C ATOM 960 C LEU A 839 -4.883 -1.550 -5.882 1.00 0.00 C ATOM 961 O LEU A 839 -6.052 -1.770 -5.565 1.00 0.00 O ATOM 962 CB LEU A 839 -2.794 -2.866 -5.475 1.00 0.00 C ATOM 963 CG LEU A 839 -1.980 -4.142 -5.687 1.00 0.00 C ATOM 964 CD1 LEU A 839 -0.696 -4.098 -4.872 1.00 0.00 C ATOM 965 CD2 LEU A 839 -2.804 -5.368 -5.320 1.00 0.00 C ATOM 0 H LEU A 839 -2.538 -2.542 -7.914 1.00 0.00 H new ATOM 0 HA LEU A 839 -4.575 -3.591 -6.438 1.00 0.00 H new ATOM 0 HB2 LEU A 839 -2.128 -2.011 -5.588 1.00 0.00 H new ATOM 0 HB3 LEU A 839 -3.155 -2.856 -4.447 1.00 0.00 H new ATOM 0 HG LEU A 839 -1.715 -4.209 -6.742 1.00 0.00 H new ATOM 0 HD11 LEU A 839 -0.130 -5.015 -5.036 1.00 0.00 H new ATOM 0 HD12 LEU A 839 -0.097 -3.241 -5.182 1.00 0.00 H new ATOM 0 HD13 LEU A 839 -0.940 -4.006 -3.814 1.00 0.00 H new ATOM 0 HD21 LEU A 839 -2.208 -6.267 -5.477 1.00 0.00 H new ATOM 0 HD22 LEU A 839 -3.100 -5.307 -4.273 1.00 0.00 H new ATOM 0 HD23 LEU A 839 -3.695 -5.409 -5.947 1.00 0.00 H new ATOM 977 N PHE A 840 -4.323 -0.348 -5.795 1.00 0.00 N ATOM 978 CA PHE A 840 -5.068 0.808 -5.309 1.00 0.00 C ATOM 979 C PHE A 840 -6.425 0.911 -6.000 1.00 0.00 C ATOM 980 O PHE A 840 -7.468 0.912 -5.347 1.00 0.00 O ATOM 981 CB PHE A 840 -4.267 2.091 -5.541 1.00 0.00 C ATOM 982 CG PHE A 840 -5.013 3.340 -5.166 1.00 0.00 C ATOM 983 CD1 PHE A 840 -5.250 3.649 -3.836 1.00 0.00 C ATOM 984 CD2 PHE A 840 -5.480 4.203 -6.144 1.00 0.00 C ATOM 985 CE1 PHE A 840 -5.936 4.797 -3.488 1.00 0.00 C ATOM 986 CE2 PHE A 840 -6.166 5.353 -5.802 1.00 0.00 C ATOM 987 CZ PHE A 840 -6.396 5.650 -4.473 1.00 0.00 C ATOM 0 H PHE A 840 -3.357 -0.149 -6.054 1.00 0.00 H new ATOM 0 HA PHE A 840 -5.234 0.679 -4.239 1.00 0.00 H new ATOM 0 HB2 PHE A 840 -3.343 2.042 -4.964 1.00 0.00 H new ATOM 0 HB3 PHE A 840 -3.984 2.148 -6.592 1.00 0.00 H new ATOM 0 HD1 PHE A 840 -4.894 2.985 -3.062 1.00 0.00 H new ATOM 0 HD2 PHE A 840 -5.306 3.975 -7.185 1.00 0.00 H new ATOM 0 HE1 PHE A 840 -6.112 5.027 -2.448 1.00 0.00 H new ATOM 0 HE2 PHE A 840 -6.522 6.019 -6.574 1.00 0.00 H new ATOM 0 HZ PHE A 840 -6.934 6.547 -4.204 1.00 0.00 H new ATOM 997 N LYS A 841 -6.402 0.997 -7.325 1.00 0.00 N ATOM 998 CA LYS A 841 -7.628 1.100 -8.107 1.00 0.00 C ATOM 999 C LYS A 841 -8.631 0.028 -7.690 1.00 0.00 C ATOM 1000 O LYS A 841 -9.800 0.322 -7.444 1.00 0.00 O ATOM 1001 CB LYS A 841 -7.318 0.970 -9.600 1.00 0.00 C ATOM 1002 CG LYS A 841 -6.696 2.217 -10.203 1.00 0.00 C ATOM 1003 CD LYS A 841 -5.853 1.886 -11.423 1.00 0.00 C ATOM 1004 CE LYS A 841 -6.719 1.643 -12.650 1.00 0.00 C ATOM 1005 NZ LYS A 841 -7.142 0.220 -12.758 1.00 0.00 N ATOM 0 H LYS A 841 -5.547 0.997 -7.881 1.00 0.00 H new ATOM 0 HA LYS A 841 -8.069 2.079 -7.918 1.00 0.00 H new ATOM 0 HB2 LYS A 841 -6.642 0.128 -9.750 1.00 0.00 H new ATOM 0 HB3 LYS A 841 -8.239 0.739 -10.135 1.00 0.00 H new ATOM 0 HG2 LYS A 841 -7.482 2.918 -10.482 1.00 0.00 H new ATOM 0 HG3 LYS A 841 -6.077 2.714 -9.456 1.00 0.00 H new ATOM 0 HD2 LYS A 841 -5.161 2.704 -11.621 1.00 0.00 H new ATOM 0 HD3 LYS A 841 -5.250 1.001 -11.221 1.00 0.00 H new ATOM 0 HE2 LYS A 841 -7.601 2.281 -12.604 1.00 0.00 H new ATOM 0 HE3 LYS A 841 -6.167 1.927 -13.546 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 -7.361 -0.003 -13.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 -6.373 -0.397 -12.427 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 -7.988 0.064 -12.173 1.00 0.00 H new ATOM 1019 N GLN A 842 -8.164 -1.214 -7.611 1.00 0.00 N ATOM 1020 CA GLN A 842 -9.020 -2.328 -7.222 1.00 0.00 C ATOM 1021 C GLN A 842 -9.766 -2.016 -5.929 1.00 0.00 C ATOM 1022 O GLN A 842 -10.996 -1.996 -5.899 1.00 0.00 O ATOM 1023 CB GLN A 842 -8.190 -3.601 -7.051 1.00 0.00 C ATOM 1024 CG GLN A 842 -7.852 -4.287 -8.365 1.00 0.00 C ATOM 1025 CD GLN A 842 -7.285 -5.679 -8.167 1.00 0.00 C ATOM 1026 OE1 GLN A 842 -8.024 -6.637 -7.940 1.00 0.00 O ATOM 1027 NE2 GLN A 842 -5.965 -5.799 -8.253 1.00 0.00 N ATOM 0 H GLN A 842 -7.198 -1.474 -7.811 1.00 0.00 H new ATOM 0 HA GLN A 842 -9.752 -2.484 -8.014 1.00 0.00 H new ATOM 0 HB2 GLN A 842 -7.264 -3.354 -6.531 1.00 0.00 H new ATOM 0 HB3 GLN A 842 -8.736 -4.299 -6.416 1.00 0.00 H new ATOM 0 HG2 GLN A 842 -8.750 -4.349 -8.980 1.00 0.00 H new ATOM 0 HG3 GLN A 842 -7.131 -3.680 -8.913 1.00 0.00 H new ATOM 0 HE21 GLN A 842 -5.390 -4.978 -8.443 1.00 0.00 H new ATOM 0 HE22 GLN A 842 -5.527 -6.712 -8.129 1.00 0.00 H new ATOM 1036 N TYR A 843 -9.013 -1.773 -4.861 1.00 0.00 N ATOM 1037 CA TYR A 843 -9.603 -1.465 -3.564 1.00 0.00 C ATOM 1038 C TYR A 843 -10.694 -0.408 -3.699 1.00 0.00 C ATOM 1039 O TYR A 843 -11.830 -0.614 -3.271 1.00 0.00 O ATOM 1040 CB TYR A 843 -8.525 -0.980 -2.593 1.00 0.00 C ATOM 1041 CG TYR A 843 -8.936 -1.066 -1.140 1.00 0.00 C ATOM 1042 CD1 TYR A 843 -10.001 -0.317 -0.654 1.00 0.00 C ATOM 1043 CD2 TYR A 843 -8.260 -1.895 -0.254 1.00 0.00 C ATOM 1044 CE1 TYR A 843 -10.380 -0.392 0.673 1.00 0.00 C ATOM 1045 CE2 TYR A 843 -8.633 -1.977 1.073 1.00 0.00 C ATOM 1046 CZ TYR A 843 -9.693 -1.224 1.532 1.00 0.00 C ATOM 1047 OH TYR A 843 -10.066 -1.302 2.854 1.00 0.00 O ATOM 0 H TYR A 843 -7.993 -1.784 -4.869 1.00 0.00 H new ATOM 0 HA TYR A 843 -10.053 -2.377 -3.172 1.00 0.00 H new ATOM 0 HB2 TYR A 843 -7.621 -1.571 -2.742 1.00 0.00 H new ATOM 0 HB3 TYR A 843 -8.273 0.054 -2.830 1.00 0.00 H new ATOM 0 HD1 TYR A 843 -10.542 0.335 -1.325 1.00 0.00 H new ATOM 0 HD2 TYR A 843 -7.428 -2.486 -0.609 1.00 0.00 H new ATOM 0 HE1 TYR A 843 -11.209 0.197 1.035 1.00 0.00 H new ATOM 0 HE2 TYR A 843 -8.097 -2.628 1.748 1.00 0.00 H new ATOM 0 HH TYR A 843 -9.653 -2.090 3.264 1.00 0.00 H new ATOM 1057 N ILE A 844 -10.341 0.725 -4.298 1.00 0.00 N ATOM 1058 CA ILE A 844 -11.290 1.814 -4.492 1.00 0.00 C ATOM 1059 C ILE A 844 -12.536 1.333 -5.228 1.00 0.00 C ATOM 1060 O ILE A 844 -13.660 1.618 -4.816 1.00 0.00 O ATOM 1061 CB ILE A 844 -10.659 2.977 -5.280 1.00 0.00 C ATOM 1062 CG1 ILE A 844 -9.440 3.525 -4.534 1.00 0.00 C ATOM 1063 CG2 ILE A 844 -11.683 4.078 -5.511 1.00 0.00 C ATOM 1064 CD1 ILE A 844 -9.683 3.742 -3.057 1.00 0.00 C ATOM 0 H ILE A 844 -9.405 0.912 -4.657 1.00 0.00 H new ATOM 0 HA ILE A 844 -11.571 2.168 -3.500 1.00 0.00 H new ATOM 0 HB ILE A 844 -10.331 2.603 -6.250 1.00 0.00 H new ATOM 0 HG12 ILE A 844 -8.607 2.834 -4.659 1.00 0.00 H new ATOM 0 HG13 ILE A 844 -9.141 4.470 -4.988 1.00 0.00 H new ATOM 0 HG21 ILE A 844 -11.222 4.893 -6.069 1.00 0.00 H new ATOM 0 HG22 ILE A 844 -12.524 3.680 -6.079 1.00 0.00 H new ATOM 0 HG23 ILE A 844 -12.038 4.452 -4.551 1.00 0.00 H new ATOM 0 HD11 ILE A 844 -8.777 4.131 -2.593 1.00 0.00 H new ATOM 0 HD12 ILE A 844 -10.495 4.456 -2.923 1.00 0.00 H new ATOM 0 HD13 ILE A 844 -9.952 2.795 -2.590 1.00 0.00 H new ATOM 1076 N GLU A 845 -12.327 0.601 -6.318 1.00 0.00 N ATOM 1077 CA GLU A 845 -13.435 0.080 -7.111 1.00 0.00 C ATOM 1078 C GLU A 845 -14.459 -0.618 -6.221 1.00 0.00 C ATOM 1079 O GLU A 845 -15.667 -0.460 -6.403 1.00 0.00 O ATOM 1080 CB GLU A 845 -12.917 -0.893 -8.172 1.00 0.00 C ATOM 1081 CG GLU A 845 -14.021 -1.585 -8.953 1.00 0.00 C ATOM 1082 CD GLU A 845 -14.734 -0.650 -9.910 1.00 0.00 C ATOM 1083 OE1 GLU A 845 -15.370 0.314 -9.434 1.00 0.00 O ATOM 1084 OE2 GLU A 845 -14.656 -0.881 -11.135 1.00 0.00 O ATOM 0 H GLU A 845 -11.402 0.356 -6.672 1.00 0.00 H new ATOM 0 HA GLU A 845 -13.922 0.920 -7.606 1.00 0.00 H new ATOM 0 HB2 GLU A 845 -12.276 -0.351 -8.868 1.00 0.00 H new ATOM 0 HB3 GLU A 845 -12.297 -1.648 -7.689 1.00 0.00 H new ATOM 0 HG2 GLU A 845 -13.597 -2.418 -9.514 1.00 0.00 H new ATOM 0 HG3 GLU A 845 -14.745 -2.006 -8.255 1.00 0.00 H new ATOM 1091 N LYS A 846 -13.969 -1.391 -5.258 1.00 0.00 N ATOM 1092 CA LYS A 846 -14.840 -2.114 -4.339 1.00 0.00 C ATOM 1093 C LYS A 846 -15.624 -1.146 -3.458 1.00 0.00 C ATOM 1094 O LYS A 846 -16.836 -1.286 -3.293 1.00 0.00 O ATOM 1095 CB LYS A 846 -14.017 -3.063 -3.464 1.00 0.00 C ATOM 1096 CG LYS A 846 -14.829 -4.199 -2.869 1.00 0.00 C ATOM 1097 CD LYS A 846 -13.944 -5.194 -2.136 1.00 0.00 C ATOM 1098 CE LYS A 846 -13.771 -4.813 -0.674 1.00 0.00 C ATOM 1099 NZ LYS A 846 -13.533 -6.006 0.185 1.00 0.00 N ATOM 0 H LYS A 846 -12.972 -1.533 -5.094 1.00 0.00 H new ATOM 0 HA LYS A 846 -15.548 -2.695 -4.930 1.00 0.00 H new ATOM 0 HB2 LYS A 846 -13.205 -3.481 -4.060 1.00 0.00 H new ATOM 0 HB3 LYS A 846 -13.559 -2.493 -2.656 1.00 0.00 H new ATOM 0 HG2 LYS A 846 -15.571 -3.795 -2.181 1.00 0.00 H new ATOM 0 HG3 LYS A 846 -15.375 -4.711 -3.661 1.00 0.00 H new ATOM 0 HD2 LYS A 846 -14.381 -6.190 -2.204 1.00 0.00 H new ATOM 0 HD3 LYS A 846 -12.968 -5.240 -2.619 1.00 0.00 H new ATOM 0 HE2 LYS A 846 -12.934 -4.122 -0.575 1.00 0.00 H new ATOM 0 HE3 LYS A 846 -14.661 -4.288 -0.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 846 -13.420 -5.705 1.174 1.00 0.00 H new ATOM 0 HZ2 LYS A 846 -14.343 -6.654 0.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 846 -12.670 -6.493 -0.129 1.00 0.00 H new ATOM 1113 N ILE A 847 -14.926 -0.165 -2.897 1.00 0.00 N ATOM 1114 CA ILE A 847 -15.558 0.827 -2.036 1.00 0.00 C ATOM 1115 C ILE A 847 -16.735 1.495 -2.739 1.00 0.00 C ATOM 1116 O ILE A 847 -17.886 1.334 -2.335 1.00 0.00 O ATOM 1117 CB ILE A 847 -14.557 1.910 -1.594 1.00 0.00 C ATOM 1118 CG1 ILE A 847 -13.414 1.282 -0.793 1.00 0.00 C ATOM 1119 CG2 ILE A 847 -15.261 2.979 -0.773 1.00 0.00 C ATOM 1120 CD1 ILE A 847 -12.287 2.245 -0.492 1.00 0.00 C ATOM 0 H ILE A 847 -13.922 -0.036 -3.023 1.00 0.00 H new ATOM 0 HA ILE A 847 -15.918 0.296 -1.155 1.00 0.00 H new ATOM 0 HB ILE A 847 -14.137 2.381 -2.483 1.00 0.00 H new ATOM 0 HG12 ILE A 847 -13.809 0.893 0.145 1.00 0.00 H new ATOM 0 HG13 ILE A 847 -13.016 0.432 -1.348 1.00 0.00 H new ATOM 0 HG21 ILE A 847 -14.540 3.737 -0.468 1.00 0.00 H new ATOM 0 HG22 ILE A 847 -16.043 3.443 -1.374 1.00 0.00 H new ATOM 0 HG23 ILE A 847 -15.705 2.524 0.112 1.00 0.00 H new ATOM 0 HD11 ILE A 847 -11.512 1.732 0.078 1.00 0.00 H new ATOM 0 HD12 ILE A 847 -11.865 2.615 -1.427 1.00 0.00 H new ATOM 0 HD13 ILE A 847 -12.670 3.083 0.090 1.00 0.00 H new ATOM 1132 N ALA A 848 -16.437 2.244 -3.796 1.00 0.00 N ATOM 1133 CA ALA A 848 -17.470 2.934 -4.559 1.00 0.00 C ATOM 1134 C ALA A 848 -18.653 2.013 -4.838 1.00 0.00 C ATOM 1135 O ALA A 848 -19.810 2.414 -4.710 1.00 0.00 O ATOM 1136 CB ALA A 848 -16.896 3.468 -5.862 1.00 0.00 C ATOM 0 H ALA A 848 -15.489 2.388 -4.143 1.00 0.00 H new ATOM 0 HA ALA A 848 -17.828 3.773 -3.962 1.00 0.00 H new ATOM 0 HB1 ALA A 848 -17.679 3.981 -6.421 1.00 0.00 H new ATOM 0 HB2 ALA A 848 -16.088 4.167 -5.644 1.00 0.00 H new ATOM 0 HB3 ALA A 848 -16.509 2.640 -6.456 1.00 0.00 H new