USER MOD reduce.3.24.130724 H: found=0, std=0, add=464, rem=0, adj=15 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+ -153:sc= -0.166 (180deg=-0.726) 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= 1.22 USER MOD Single : A 805 ASN : amide:sc= -3.11! C(o=-3.1!,f=-4.4!) USER MOD Single : A 806 HIS : no HE2:sc= -2.75 K(o=-2.7,f=-6.2!) USER MOD Single : A 807 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 810 SER OG : rot 180:sc= 0 USER MOD Single : A 811 GLN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 812 SER OG : rot -73:sc= -3.22! 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+ -148:sc= -0.667 (180deg=-2.15!) USER MOD Single : A 820 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 823 SER OG : rot -52:sc= 0.0876 USER MOD Single : A 827 TYR OH : rot 30:sc= 0 USER MOD Single : A 828 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 832 SER OG : rot 53:sc= 0.247 USER MOD Single : A 833 SER OG : rot 180:sc= -0.0275 USER MOD Single : A 834 SER OG : rot 180:sc= 0 USER MOD Single : A 835 MET CE :methyl -147:sc= 0 (180deg=-0.181) USER MOD Single : A 841 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 842 GLN : amide:sc= -0.115 X(o=-0.12,f=0) USER MOD Single : A 843 TYR OH : rot 180:sc= 0 USER MOD Single : A 846 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 208 N GLU A 793 2.506 -12.117 -2.150 1.00 0.00 N ATOM 209 CA GLU A 793 1.362 -12.081 -1.246 1.00 0.00 C ATOM 210 C GLU A 793 1.616 -11.124 -0.085 1.00 0.00 C ATOM 211 O GLU A 793 0.852 -10.186 0.141 1.00 0.00 O ATOM 212 CB GLU A 793 1.062 -13.482 -0.711 1.00 0.00 C ATOM 213 CG GLU A 793 -0.191 -13.551 0.146 1.00 0.00 C ATOM 214 CD GLU A 793 -0.595 -14.975 0.475 1.00 0.00 C ATOM 215 OE1 GLU A 793 -1.313 -15.590 -0.341 1.00 0.00 O ATOM 216 OE2 GLU A 793 -0.194 -15.474 1.547 1.00 0.00 O ATOM 0 HA GLU A 793 0.499 -11.722 -1.807 1.00 0.00 H new ATOM 0 HB2 GLU A 793 0.955 -14.168 -1.552 1.00 0.00 H new ATOM 0 HB3 GLU A 793 1.913 -13.828 -0.124 1.00 0.00 H new ATOM 0 HG2 GLU A 793 -0.024 -13.002 1.072 1.00 0.00 H new ATOM 0 HG3 GLU A 793 -1.011 -13.056 -0.375 1.00 0.00 H new ATOM 223 N LYS A 794 2.696 -11.369 0.650 1.00 0.00 N ATOM 224 CA LYS A 794 3.053 -10.531 1.788 1.00 0.00 C ATOM 225 C LYS A 794 2.910 -9.053 1.442 1.00 0.00 C ATOM 226 O LYS A 794 2.158 -8.324 2.091 1.00 0.00 O ATOM 227 CB LYS A 794 4.488 -10.825 2.233 1.00 0.00 C ATOM 228 CG LYS A 794 4.811 -10.309 3.625 1.00 0.00 C ATOM 229 CD LYS A 794 6.241 -10.634 4.022 1.00 0.00 C ATOM 230 CE LYS A 794 6.342 -12.008 4.665 1.00 0.00 C ATOM 231 NZ LYS A 794 5.558 -12.089 5.929 1.00 0.00 N ATOM 0 H LYS A 794 3.339 -12.142 0.477 1.00 0.00 H new ATOM 0 HA LYS A 794 2.370 -10.762 2.606 1.00 0.00 H new ATOM 0 HB2 LYS A 794 4.654 -11.902 2.206 1.00 0.00 H new ATOM 0 HB3 LYS A 794 5.180 -10.378 1.519 1.00 0.00 H new ATOM 0 HG2 LYS A 794 4.659 -9.230 3.658 1.00 0.00 H new ATOM 0 HG3 LYS A 794 4.123 -10.750 4.346 1.00 0.00 H new ATOM 0 HD2 LYS A 794 6.882 -10.595 3.141 1.00 0.00 H new ATOM 0 HD3 LYS A 794 6.608 -9.878 4.717 1.00 0.00 H new ATOM 0 HE2 LYS A 794 5.983 -12.763 3.966 1.00 0.00 H new ATOM 0 HE3 LYS A 794 7.388 -12.236 4.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 794 5.980 -12.806 6.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 794 5.570 -11.164 6.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 794 4.576 -12.354 5.712 1.00 0.00 H new ATOM 245 N ILE A 795 3.633 -8.617 0.416 1.00 0.00 N ATOM 246 CA ILE A 795 3.583 -7.226 -0.017 1.00 0.00 C ATOM 247 C ILE A 795 2.147 -6.778 -0.263 1.00 0.00 C ATOM 248 O ILE A 795 1.707 -5.751 0.254 1.00 0.00 O ATOM 249 CB ILE A 795 4.405 -7.007 -1.301 1.00 0.00 C ATOM 250 CG1 ILE A 795 5.857 -7.439 -1.084 1.00 0.00 C ATOM 251 CG2 ILE A 795 4.340 -5.548 -1.729 1.00 0.00 C ATOM 252 CD1 ILE A 795 6.597 -7.737 -2.369 1.00 0.00 C ATOM 0 H ILE A 795 4.260 -9.207 -0.131 1.00 0.00 H new ATOM 0 HA ILE A 795 4.014 -6.629 0.787 1.00 0.00 H new ATOM 0 HB ILE A 795 3.979 -7.619 -2.096 1.00 0.00 H new ATOM 0 HG12 ILE A 795 6.385 -6.653 -0.544 1.00 0.00 H new ATOM 0 HG13 ILE A 795 5.873 -8.326 -0.451 1.00 0.00 H new ATOM 0 HG21 ILE A 795 4.926 -5.409 -2.638 1.00 0.00 H new ATOM 0 HG22 ILE A 795 3.303 -5.271 -1.919 1.00 0.00 H new ATOM 0 HG23 ILE A 795 4.744 -4.918 -0.937 1.00 0.00 H new ATOM 0 HD11 ILE A 795 7.619 -8.037 -2.139 1.00 0.00 H new ATOM 0 HD12 ILE A 795 6.093 -8.544 -2.900 1.00 0.00 H new ATOM 0 HD13 ILE A 795 6.613 -6.845 -2.995 1.00 0.00 H new ATOM 264 N LYS A 796 1.418 -7.557 -1.056 1.00 0.00 N ATOM 265 CA LYS A 796 0.029 -7.244 -1.369 1.00 0.00 C ATOM 266 C LYS A 796 -0.759 -6.933 -0.101 1.00 0.00 C ATOM 267 O LYS A 796 -1.540 -5.983 -0.061 1.00 0.00 O ATOM 268 CB LYS A 796 -0.623 -8.411 -2.114 1.00 0.00 C ATOM 269 CG LYS A 796 -1.981 -8.073 -2.706 1.00 0.00 C ATOM 270 CD LYS A 796 -2.829 -9.318 -2.902 1.00 0.00 C ATOM 271 CE LYS A 796 -3.650 -9.634 -1.662 1.00 0.00 C ATOM 272 NZ LYS A 796 -4.735 -10.613 -1.949 1.00 0.00 N ATOM 0 H LYS A 796 1.767 -8.410 -1.494 1.00 0.00 H new ATOM 0 HA LYS A 796 0.018 -6.361 -2.008 1.00 0.00 H new ATOM 0 HB2 LYS A 796 0.042 -8.737 -2.914 1.00 0.00 H new ATOM 0 HB3 LYS A 796 -0.734 -9.252 -1.429 1.00 0.00 H new ATOM 0 HG2 LYS A 796 -2.502 -7.376 -2.049 1.00 0.00 H new ATOM 0 HG3 LYS A 796 -1.847 -7.569 -3.663 1.00 0.00 H new ATOM 0 HD2 LYS A 796 -3.494 -9.176 -3.754 1.00 0.00 H new ATOM 0 HD3 LYS A 796 -2.185 -10.165 -3.139 1.00 0.00 H new ATOM 0 HE2 LYS A 796 -2.997 -10.033 -0.886 1.00 0.00 H new ATOM 0 HE3 LYS A 796 -4.085 -8.714 -1.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 796 -5.271 -10.802 -1.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 796 -5.373 -10.222 -2.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 796 -4.319 -11.500 -2.298 1.00 0.00 H new ATOM 286 N SER A 797 -0.547 -7.739 0.934 1.00 0.00 N ATOM 287 CA SER A 797 -1.239 -7.551 2.204 1.00 0.00 C ATOM 288 C SER A 797 -0.937 -6.175 2.789 1.00 0.00 C ATOM 289 O SER A 797 -1.846 -5.389 3.056 1.00 0.00 O ATOM 290 CB SER A 797 -0.831 -8.641 3.198 1.00 0.00 C ATOM 291 OG SER A 797 -1.721 -8.686 4.299 1.00 0.00 O ATOM 0 H SER A 797 0.098 -8.529 0.918 1.00 0.00 H new ATOM 0 HA SER A 797 -2.311 -7.621 2.019 1.00 0.00 H new ATOM 0 HB2 SER A 797 -0.819 -9.609 2.697 1.00 0.00 H new ATOM 0 HB3 SER A 797 0.182 -8.453 3.553 1.00 0.00 H new ATOM 0 HG SER A 797 -1.440 -9.391 4.918 1.00 0.00 H new ATOM 297 N ASP A 798 0.345 -5.891 2.985 1.00 0.00 N ATOM 298 CA ASP A 798 0.769 -4.609 3.537 1.00 0.00 C ATOM 299 C ASP A 798 0.170 -3.451 2.744 1.00 0.00 C ATOM 300 O ASP A 798 -0.503 -2.585 3.303 1.00 0.00 O ATOM 301 CB ASP A 798 2.295 -4.509 3.536 1.00 0.00 C ATOM 302 CG ASP A 798 2.833 -3.878 2.266 1.00 0.00 C ATOM 303 OD1 ASP A 798 2.647 -2.656 2.086 1.00 0.00 O ATOM 304 OD2 ASP A 798 3.441 -4.606 1.454 1.00 0.00 O ATOM 0 H ASP A 798 1.110 -6.531 2.770 1.00 0.00 H new ATOM 0 HA ASP A 798 0.409 -4.547 4.564 1.00 0.00 H new ATOM 0 HB2 ASP A 798 2.618 -3.922 4.395 1.00 0.00 H new ATOM 0 HB3 ASP A 798 2.722 -5.505 3.652 1.00 0.00 H new ATOM 309 N PHE A 799 0.421 -3.442 1.439 1.00 0.00 N ATOM 310 CA PHE A 799 -0.091 -2.390 0.569 1.00 0.00 C ATOM 311 C PHE A 799 -1.540 -2.057 0.914 1.00 0.00 C ATOM 312 O PHE A 799 -1.855 -0.931 1.300 1.00 0.00 O ATOM 313 CB PHE A 799 0.011 -2.816 -0.897 1.00 0.00 C ATOM 314 CG PHE A 799 -0.056 -1.666 -1.861 1.00 0.00 C ATOM 315 CD1 PHE A 799 0.845 -0.617 -1.773 1.00 0.00 C ATOM 316 CD2 PHE A 799 -1.021 -1.634 -2.855 1.00 0.00 C ATOM 317 CE1 PHE A 799 0.784 0.442 -2.659 1.00 0.00 C ATOM 318 CE2 PHE A 799 -1.086 -0.577 -3.744 1.00 0.00 C ATOM 319 CZ PHE A 799 -0.181 0.462 -3.646 1.00 0.00 C ATOM 0 H PHE A 799 0.976 -4.152 0.961 1.00 0.00 H new ATOM 0 HA PHE A 799 0.516 -1.498 0.724 1.00 0.00 H new ATOM 0 HB2 PHE A 799 0.948 -3.352 -1.047 1.00 0.00 H new ATOM 0 HB3 PHE A 799 -0.795 -3.515 -1.121 1.00 0.00 H new ATOM 0 HD1 PHE A 799 1.603 -0.627 -1.004 1.00 0.00 H new ATOM 0 HD2 PHE A 799 -1.731 -2.444 -2.936 1.00 0.00 H new ATOM 0 HE1 PHE A 799 1.491 1.254 -2.579 1.00 0.00 H new ATOM 0 HE2 PHE A 799 -1.843 -0.564 -4.514 1.00 0.00 H new ATOM 0 HZ PHE A 799 -0.228 1.288 -4.340 1.00 0.00 H new ATOM 329 N PHE A 800 -2.418 -3.044 0.771 1.00 0.00 N ATOM 330 CA PHE A 800 -3.834 -2.857 1.065 1.00 0.00 C ATOM 331 C PHE A 800 -4.025 -2.228 2.442 1.00 0.00 C ATOM 332 O PHE A 800 -4.659 -1.182 2.574 1.00 0.00 O ATOM 333 CB PHE A 800 -4.572 -4.196 0.997 1.00 0.00 C ATOM 334 CG PHE A 800 -4.904 -4.627 -0.403 1.00 0.00 C ATOM 335 CD1 PHE A 800 -5.657 -3.811 -1.233 1.00 0.00 C ATOM 336 CD2 PHE A 800 -4.464 -5.847 -0.890 1.00 0.00 C ATOM 337 CE1 PHE A 800 -5.964 -4.204 -2.522 1.00 0.00 C ATOM 338 CE2 PHE A 800 -4.768 -6.245 -2.178 1.00 0.00 C ATOM 339 CZ PHE A 800 -5.520 -5.424 -2.995 1.00 0.00 C ATOM 0 H PHE A 800 -2.174 -3.982 0.453 1.00 0.00 H new ATOM 0 HA PHE A 800 -4.249 -2.183 0.316 1.00 0.00 H new ATOM 0 HB2 PHE A 800 -3.959 -4.964 1.469 1.00 0.00 H new ATOM 0 HB3 PHE A 800 -5.494 -4.124 1.575 1.00 0.00 H new ATOM 0 HD1 PHE A 800 -6.008 -2.857 -0.868 1.00 0.00 H new ATOM 0 HD2 PHE A 800 -3.877 -6.494 -0.256 1.00 0.00 H new ATOM 0 HE1 PHE A 800 -6.550 -3.558 -3.159 1.00 0.00 H new ATOM 0 HE2 PHE A 800 -4.417 -7.198 -2.546 1.00 0.00 H new ATOM 0 HZ PHE A 800 -5.760 -5.735 -4.001 1.00 0.00 H new ATOM 349 N GLU A 801 -3.471 -2.874 3.463 1.00 0.00 N ATOM 350 CA GLU A 801 -3.582 -2.379 4.830 1.00 0.00 C ATOM 351 C GLU A 801 -3.424 -0.862 4.873 1.00 0.00 C ATOM 352 O GLU A 801 -4.318 -0.146 5.327 1.00 0.00 O ATOM 353 CB GLU A 801 -2.528 -3.038 5.722 1.00 0.00 C ATOM 354 CG GLU A 801 -2.809 -4.502 6.017 1.00 0.00 C ATOM 355 CD GLU A 801 -2.014 -5.022 7.198 1.00 0.00 C ATOM 356 OE1 GLU A 801 -1.965 -4.324 8.233 1.00 0.00 O ATOM 357 OE2 GLU A 801 -1.441 -6.126 7.089 1.00 0.00 O ATOM 0 H GLU A 801 -2.941 -3.741 3.370 1.00 0.00 H new ATOM 0 HA GLU A 801 -4.574 -2.635 5.203 1.00 0.00 H new ATOM 0 HB2 GLU A 801 -1.553 -2.954 5.241 1.00 0.00 H new ATOM 0 HB3 GLU A 801 -2.468 -2.492 6.663 1.00 0.00 H new ATOM 0 HG2 GLU A 801 -3.873 -4.631 6.215 1.00 0.00 H new ATOM 0 HG3 GLU A 801 -2.574 -5.098 5.135 1.00 0.00 H new ATOM 364 N LEU A 802 -2.282 -0.378 4.398 1.00 0.00 N ATOM 365 CA LEU A 802 -2.005 1.054 4.383 1.00 0.00 C ATOM 366 C LEU A 802 -3.144 1.821 3.719 1.00 0.00 C ATOM 367 O LEU A 802 -3.856 2.584 4.373 1.00 0.00 O ATOM 368 CB LEU A 802 -0.692 1.331 3.648 1.00 0.00 C ATOM 369 CG LEU A 802 -0.336 2.804 3.443 1.00 0.00 C ATOM 370 CD1 LEU A 802 -0.100 3.488 4.781 1.00 0.00 C ATOM 371 CD2 LEU A 802 0.890 2.938 2.551 1.00 0.00 C ATOM 0 H LEU A 802 -1.533 -0.956 4.018 1.00 0.00 H new ATOM 0 HA LEU A 802 -1.916 1.393 5.415 1.00 0.00 H new ATOM 0 HB2 LEU A 802 0.118 0.856 4.201 1.00 0.00 H new ATOM 0 HB3 LEU A 802 -0.737 0.849 2.671 1.00 0.00 H new ATOM 0 HG LEU A 802 -1.175 3.295 2.950 1.00 0.00 H new ATOM 0 HD11 LEU A 802 0.152 4.535 4.615 1.00 0.00 H new ATOM 0 HD12 LEU A 802 -1.004 3.424 5.387 1.00 0.00 H new ATOM 0 HD13 LEU A 802 0.721 2.995 5.302 1.00 0.00 H new ATOM 0 HD21 LEU A 802 1.128 3.993 2.416 1.00 0.00 H new ATOM 0 HD22 LEU A 802 1.736 2.431 3.016 1.00 0.00 H new ATOM 0 HD23 LEU A 802 0.685 2.486 1.581 1.00 0.00 H new ATOM 383 N LEU A 803 -3.311 1.613 2.418 1.00 0.00 N ATOM 384 CA LEU A 803 -4.365 2.284 1.665 1.00 0.00 C ATOM 385 C LEU A 803 -5.649 2.371 2.484 1.00 0.00 C ATOM 386 O LEU A 803 -6.139 3.462 2.775 1.00 0.00 O ATOM 387 CB LEU A 803 -4.633 1.543 0.354 1.00 0.00 C ATOM 388 CG LEU A 803 -3.428 1.352 -0.568 1.00 0.00 C ATOM 389 CD1 LEU A 803 -3.782 0.434 -1.727 1.00 0.00 C ATOM 390 CD2 LEU A 803 -2.932 2.696 -1.082 1.00 0.00 C ATOM 0 H LEU A 803 -2.730 0.985 1.862 1.00 0.00 H new ATOM 0 HA LEU A 803 -4.029 3.297 1.441 1.00 0.00 H new ATOM 0 HB2 LEU A 803 -5.042 0.561 0.592 1.00 0.00 H new ATOM 0 HB3 LEU A 803 -5.403 2.085 -0.195 1.00 0.00 H new ATOM 0 HG LEU A 803 -2.627 0.886 0.005 1.00 0.00 H new ATOM 0 HD11 LEU A 803 -2.912 0.310 -2.372 1.00 0.00 H new ATOM 0 HD12 LEU A 803 -4.089 -0.538 -1.341 1.00 0.00 H new ATOM 0 HD13 LEU A 803 -4.600 0.871 -2.300 1.00 0.00 H new ATOM 0 HD21 LEU A 803 -2.074 2.541 -1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 803 -3.729 3.189 -1.639 1.00 0.00 H new ATOM 0 HD23 LEU A 803 -2.637 3.321 -0.239 1.00 0.00 H new ATOM 402 N SER A 804 -6.187 1.213 2.856 1.00 0.00 N ATOM 403 CA SER A 804 -7.414 1.158 3.641 1.00 0.00 C ATOM 404 C SER A 804 -7.298 2.023 4.893 1.00 0.00 C ATOM 405 O SER A 804 -8.245 2.705 5.279 1.00 0.00 O ATOM 406 CB SER A 804 -7.730 -0.287 4.033 1.00 0.00 C ATOM 407 OG SER A 804 -6.809 -0.766 4.998 1.00 0.00 O ATOM 0 H SER A 804 -5.792 0.301 2.626 1.00 0.00 H new ATOM 0 HA SER A 804 -8.226 1.546 3.027 1.00 0.00 H new ATOM 0 HB2 SER A 804 -8.743 -0.346 4.431 1.00 0.00 H new ATOM 0 HB3 SER A 804 -7.698 -0.923 3.148 1.00 0.00 H new ATOM 0 HG SER A 804 -5.897 -0.533 4.724 1.00 0.00 H new ATOM 413 N ASN A 805 -6.127 1.987 5.522 1.00 0.00 N ATOM 414 CA ASN A 805 -5.885 2.766 6.731 1.00 0.00 C ATOM 415 C ASN A 805 -6.012 4.261 6.449 1.00 0.00 C ATOM 416 O ASN A 805 -6.287 5.052 7.351 1.00 0.00 O ATOM 417 CB ASN A 805 -4.496 2.458 7.292 1.00 0.00 C ATOM 418 CG ASN A 805 -4.316 0.987 7.614 1.00 0.00 C ATOM 419 OD1 ASN A 805 -5.289 0.239 7.718 1.00 0.00 O ATOM 420 ND2 ASN A 805 -3.067 0.565 7.774 1.00 0.00 N ATOM 0 H ASN A 805 -5.332 1.427 5.215 1.00 0.00 H new ATOM 0 HA ASN A 805 -6.637 2.488 7.469 1.00 0.00 H new ATOM 0 HB2 ASN A 805 -3.739 2.764 6.570 1.00 0.00 H new ATOM 0 HB3 ASN A 805 -4.333 3.047 8.194 1.00 0.00 H new ATOM 0 HD21 ASN A 805 -2.884 -0.414 7.992 1.00 0.00 H new ATOM 0 HD22 ASN A 805 -2.291 1.220 7.679 1.00 0.00 H new ATOM 427 N HIS A 806 -5.810 4.639 5.191 1.00 0.00 N ATOM 428 CA HIS A 806 -5.903 6.039 4.790 1.00 0.00 C ATOM 429 C HIS A 806 -7.351 6.429 4.512 1.00 0.00 C ATOM 430 O HIS A 806 -7.624 7.283 3.667 1.00 0.00 O ATOM 431 CB HIS A 806 -5.047 6.293 3.549 1.00 0.00 C ATOM 432 CG HIS A 806 -3.590 6.463 3.851 1.00 0.00 C ATOM 433 ND1 HIS A 806 -2.932 7.669 3.728 1.00 0.00 N ATOM 434 CD2 HIS A 806 -2.663 5.572 4.274 1.00 0.00 C ATOM 435 CE1 HIS A 806 -1.663 7.512 4.061 1.00 0.00 C ATOM 436 NE2 HIS A 806 -1.474 6.249 4.397 1.00 0.00 N ATOM 0 H HIS A 806 -5.581 3.997 4.432 1.00 0.00 H new ATOM 0 HA HIS A 806 -5.531 6.652 5.611 1.00 0.00 H new ATOM 0 HB2 HIS A 806 -5.171 5.461 2.856 1.00 0.00 H new ATOM 0 HB3 HIS A 806 -5.411 7.187 3.043 1.00 0.00 H new ATOM 0 HD1 HIS A 806 -3.358 8.545 3.427 1.00 0.00 H new ATOM 0 HD2 HIS A 806 -2.827 4.524 4.477 1.00 0.00 H new ATOM 0 HE1 HIS A 806 -0.909 8.285 4.059 1.00 0.00 H new ATOM 444 N HIS A 807 -8.277 5.799 5.228 1.00 0.00 N ATOM 445 CA HIS A 807 -9.698 6.080 5.058 1.00 0.00 C ATOM 446 C HIS A 807 -10.021 6.384 3.598 1.00 0.00 C ATOM 447 O HIS A 807 -10.587 7.431 3.282 1.00 0.00 O ATOM 448 CB HIS A 807 -10.115 7.257 5.940 1.00 0.00 C ATOM 449 CG HIS A 807 -10.202 6.913 7.395 1.00 0.00 C ATOM 450 ND1 HIS A 807 -11.318 6.340 7.968 1.00 0.00 N ATOM 451 CD2 HIS A 807 -9.303 7.063 8.396 1.00 0.00 C ATOM 452 CE1 HIS A 807 -11.102 6.154 9.258 1.00 0.00 C ATOM 453 NE2 HIS A 807 -9.886 6.584 9.543 1.00 0.00 N ATOM 0 H HIS A 807 -8.069 5.090 5.932 1.00 0.00 H new ATOM 0 HA HIS A 807 -10.257 5.194 5.359 1.00 0.00 H new ATOM 0 HB2 HIS A 807 -9.400 8.070 5.809 1.00 0.00 H new ATOM 0 HB3 HIS A 807 -11.084 7.627 5.604 1.00 0.00 H new ATOM 0 HD2 HIS A 807 -8.311 7.482 8.309 1.00 0.00 H new ATOM 0 HE1 HIS A 807 -11.801 5.724 9.960 1.00 0.00 H new ATOM 0 HE2 HIS A 807 -9.451 6.564 10.465 1.00 0.00 H new ATOM 461 N LEU A 808 -9.656 5.464 2.712 1.00 0.00 N ATOM 462 CA LEU A 808 -9.906 5.634 1.285 1.00 0.00 C ATOM 463 C LEU A 808 -11.314 6.166 1.039 1.00 0.00 C ATOM 464 O LEU A 808 -12.158 6.157 1.935 1.00 0.00 O ATOM 465 CB LEU A 808 -9.716 4.304 0.552 1.00 0.00 C ATOM 466 CG LEU A 808 -8.288 3.759 0.510 1.00 0.00 C ATOM 467 CD1 LEU A 808 -8.251 2.414 -0.198 1.00 0.00 C ATOM 468 CD2 LEU A 808 -7.359 4.751 -0.174 1.00 0.00 C ATOM 0 H LEU A 808 -9.186 4.593 2.957 1.00 0.00 H new ATOM 0 HA LEU A 808 -9.190 6.360 0.900 1.00 0.00 H new ATOM 0 HB2 LEU A 808 -10.355 3.557 1.024 1.00 0.00 H new ATOM 0 HB3 LEU A 808 -10.068 4.423 -0.473 1.00 0.00 H new ATOM 0 HG LEU A 808 -7.943 3.616 1.534 1.00 0.00 H new ATOM 0 HD11 LEU A 808 -7.227 2.042 -0.218 1.00 0.00 H new ATOM 0 HD12 LEU A 808 -8.884 1.705 0.335 1.00 0.00 H new ATOM 0 HD13 LEU A 808 -8.615 2.530 -1.219 1.00 0.00 H new ATOM 0 HD21 LEU A 808 -6.347 4.347 -0.195 1.00 0.00 H new ATOM 0 HD22 LEU A 808 -7.701 4.926 -1.194 1.00 0.00 H new ATOM 0 HD23 LEU A 808 -7.363 5.692 0.376 1.00 0.00 H new ATOM 480 N ASP A 809 -11.561 6.628 -0.182 1.00 0.00 N ATOM 481 CA ASP A 809 -12.868 7.162 -0.548 1.00 0.00 C ATOM 482 C ASP A 809 -13.119 7.006 -2.045 1.00 0.00 C ATOM 483 O ASP A 809 -12.188 6.792 -2.821 1.00 0.00 O ATOM 484 CB ASP A 809 -12.970 8.636 -0.152 1.00 0.00 C ATOM 485 CG ASP A 809 -13.495 8.821 1.258 1.00 0.00 C ATOM 486 OD1 ASP A 809 -14.542 8.224 1.585 1.00 0.00 O ATOM 487 OD2 ASP A 809 -12.858 9.563 2.035 1.00 0.00 O ATOM 0 H ASP A 809 -10.873 6.643 -0.935 1.00 0.00 H new ATOM 0 HA ASP A 809 -13.628 6.596 -0.009 1.00 0.00 H new ATOM 0 HB2 ASP A 809 -11.987 9.100 -0.235 1.00 0.00 H new ATOM 0 HB3 ASP A 809 -13.627 9.153 -0.852 1.00 0.00 H new ATOM 492 N SER A 810 -14.383 7.113 -2.442 1.00 0.00 N ATOM 493 CA SER A 810 -14.757 6.979 -3.845 1.00 0.00 C ATOM 494 C SER A 810 -14.042 8.022 -4.700 1.00 0.00 C ATOM 495 O SER A 810 -13.971 7.894 -5.922 1.00 0.00 O ATOM 496 CB SER A 810 -16.272 7.122 -4.007 1.00 0.00 C ATOM 497 OG SER A 810 -16.712 8.399 -3.577 1.00 0.00 O ATOM 0 H SER A 810 -15.165 7.292 -1.812 1.00 0.00 H new ATOM 0 HA SER A 810 -14.455 5.988 -4.183 1.00 0.00 H new ATOM 0 HB2 SER A 810 -16.545 6.972 -5.052 1.00 0.00 H new ATOM 0 HB3 SER A 810 -16.777 6.347 -3.431 1.00 0.00 H new ATOM 0 HG SER A 810 -17.683 8.466 -3.692 1.00 0.00 H new ATOM 503 N GLN A 811 -13.516 9.053 -4.047 1.00 0.00 N ATOM 504 CA GLN A 811 -12.807 10.118 -4.747 1.00 0.00 C ATOM 505 C GLN A 811 -11.313 10.069 -4.443 1.00 0.00 C ATOM 506 O GLN A 811 -10.623 11.086 -4.510 1.00 0.00 O ATOM 507 CB GLN A 811 -13.376 11.482 -4.352 1.00 0.00 C ATOM 508 CG GLN A 811 -14.782 11.730 -4.875 1.00 0.00 C ATOM 509 CD GLN A 811 -15.101 13.205 -5.014 1.00 0.00 C ATOM 510 OE1 GLN A 811 -14.786 14.006 -4.134 1.00 0.00 O ATOM 511 NE2 GLN A 811 -15.731 13.573 -6.123 1.00 0.00 N ATOM 0 H GLN A 811 -13.567 9.174 -3.035 1.00 0.00 H new ATOM 0 HA GLN A 811 -12.946 9.970 -5.818 1.00 0.00 H new ATOM 0 HB2 GLN A 811 -13.382 11.563 -3.265 1.00 0.00 H new ATOM 0 HB3 GLN A 811 -12.715 12.264 -4.726 1.00 0.00 H new ATOM 0 HG2 GLN A 811 -14.896 11.245 -5.844 1.00 0.00 H new ATOM 0 HG3 GLN A 811 -15.503 11.268 -4.201 1.00 0.00 H new ATOM 0 HE21 GLN A 811 -15.973 12.876 -6.827 1.00 0.00 H new ATOM 0 HE22 GLN A 811 -15.973 14.553 -6.271 1.00 0.00 H new ATOM 520 N SER A 812 -10.821 8.881 -4.107 1.00 0.00 N ATOM 521 CA SER A 812 -9.410 8.701 -3.789 1.00 0.00 C ATOM 522 C SER A 812 -8.539 8.955 -5.015 1.00 0.00 C ATOM 523 O SER A 812 -8.700 8.307 -6.049 1.00 0.00 O ATOM 524 CB SER A 812 -9.161 7.288 -3.257 1.00 0.00 C ATOM 525 OG SER A 812 -9.836 6.321 -4.044 1.00 0.00 O ATOM 0 H SER A 812 -11.379 8.029 -4.048 1.00 0.00 H new ATOM 0 HA SER A 812 -9.142 9.424 -3.019 1.00 0.00 H new ATOM 0 HB2 SER A 812 -8.091 7.079 -3.257 1.00 0.00 H new ATOM 0 HB3 SER A 812 -9.499 7.220 -2.223 1.00 0.00 H new ATOM 0 HG SER A 812 -10.798 6.364 -3.862 1.00 0.00 H new ATOM 531 N ARG A 813 -7.617 9.904 -4.892 1.00 0.00 N ATOM 532 CA ARG A 813 -6.721 10.246 -5.990 1.00 0.00 C ATOM 533 C ARG A 813 -5.340 9.633 -5.777 1.00 0.00 C ATOM 534 O ARG A 813 -4.626 9.996 -4.842 1.00 0.00 O ATOM 535 CB ARG A 813 -6.600 11.766 -6.123 1.00 0.00 C ATOM 536 CG ARG A 813 -7.778 12.410 -6.837 1.00 0.00 C ATOM 537 CD ARG A 813 -7.694 12.210 -8.342 1.00 0.00 C ATOM 538 NE ARG A 813 -8.890 12.694 -9.026 1.00 0.00 N ATOM 539 CZ ARG A 813 -8.911 13.052 -10.305 1.00 0.00 C ATOM 540 NH1 ARG A 813 -7.807 12.979 -11.036 1.00 0.00 N ATOM 541 NH2 ARG A 813 -10.039 13.482 -10.856 1.00 0.00 N ATOM 0 H ARG A 813 -7.471 10.450 -4.043 1.00 0.00 H new ATOM 0 HA ARG A 813 -7.142 9.839 -6.909 1.00 0.00 H new ATOM 0 HB2 ARG A 813 -6.505 12.203 -5.129 1.00 0.00 H new ATOM 0 HB3 ARG A 813 -5.684 12.003 -6.664 1.00 0.00 H new ATOM 0 HG2 ARG A 813 -8.709 11.983 -6.464 1.00 0.00 H new ATOM 0 HG3 ARG A 813 -7.803 13.476 -6.611 1.00 0.00 H new ATOM 0 HD2 ARG A 813 -6.819 12.732 -8.729 1.00 0.00 H new ATOM 0 HD3 ARG A 813 -7.555 11.151 -8.560 1.00 0.00 H new ATOM 0 HE ARG A 813 -9.757 12.761 -8.492 1.00 0.00 H new ATOM 0 HH11 ARG A 813 -6.939 12.647 -10.616 1.00 0.00 H new ATOM 0 HH12 ARG A 813 -7.826 13.255 -12.018 1.00 0.00 H new ATOM 0 HH21 ARG A 813 -10.891 13.538 -10.297 1.00 0.00 H new ATOM 0 HH22 ARG A 813 -10.054 13.757 -11.838 1.00 0.00 H new ATOM 555 N TRP A 814 -4.972 8.701 -6.648 1.00 0.00 N ATOM 556 CA TRP A 814 -3.677 8.036 -6.554 1.00 0.00 C ATOM 557 C TRP A 814 -2.572 9.038 -6.240 1.00 0.00 C ATOM 558 O TRP A 814 -1.826 8.871 -5.275 1.00 0.00 O ATOM 559 CB TRP A 814 -3.361 7.303 -7.859 1.00 0.00 C ATOM 560 CG TRP A 814 -2.041 6.594 -7.838 1.00 0.00 C ATOM 561 CD1 TRP A 814 -1.044 6.691 -8.766 1.00 0.00 C ATOM 562 CD2 TRP A 814 -1.576 5.678 -6.841 1.00 0.00 C ATOM 563 NE1 TRP A 814 0.013 5.891 -8.405 1.00 0.00 N ATOM 564 CE2 TRP A 814 -0.288 5.259 -7.228 1.00 0.00 C ATOM 565 CE3 TRP A 814 -2.122 5.172 -5.658 1.00 0.00 C ATOM 566 CZ2 TRP A 814 0.459 4.359 -6.474 1.00 0.00 C ATOM 567 CZ3 TRP A 814 -1.379 4.278 -4.911 1.00 0.00 C ATOM 568 CH2 TRP A 814 -0.100 3.879 -5.320 1.00 0.00 C ATOM 0 H TRP A 814 -5.551 8.388 -7.427 1.00 0.00 H new ATOM 0 HA TRP A 814 -3.727 7.312 -5.741 1.00 0.00 H new ATOM 0 HB2 TRP A 814 -4.151 6.579 -8.061 1.00 0.00 H new ATOM 0 HB3 TRP A 814 -3.367 8.020 -8.680 1.00 0.00 H new ATOM 0 HD1 TRP A 814 -1.081 7.306 -9.653 1.00 0.00 H new ATOM 0 HE1 TRP A 814 0.882 5.785 -8.929 1.00 0.00 H new ATOM 0 HE3 TRP A 814 -3.107 5.474 -5.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 814 1.445 4.050 -6.788 1.00 0.00 H new ATOM 0 HZ3 TRP A 814 -1.792 3.880 -3.996 1.00 0.00 H new ATOM 0 HH2 TRP A 814 0.456 3.179 -4.713 1.00 0.00 H new ATOM 579 N SER A 815 -2.473 10.080 -7.059 1.00 0.00 N ATOM 580 CA SER A 815 -1.456 11.108 -6.870 1.00 0.00 C ATOM 581 C SER A 815 -1.402 11.556 -5.412 1.00 0.00 C ATOM 582 O SER A 815 -0.325 11.790 -4.862 1.00 0.00 O ATOM 583 CB SER A 815 -1.739 12.309 -7.774 1.00 0.00 C ATOM 584 OG SER A 815 -0.642 13.205 -7.791 1.00 0.00 O ATOM 0 H SER A 815 -3.085 10.235 -7.860 1.00 0.00 H new ATOM 0 HA SER A 815 -0.489 10.681 -7.138 1.00 0.00 H new ATOM 0 HB2 SER A 815 -1.947 11.964 -8.787 1.00 0.00 H new ATOM 0 HB3 SER A 815 -2.631 12.829 -7.425 1.00 0.00 H new ATOM 0 HG SER A 815 -0.848 13.963 -8.377 1.00 0.00 H new ATOM 590 N LYS A 816 -2.571 11.673 -4.792 1.00 0.00 N ATOM 591 CA LYS A 816 -2.659 12.091 -3.398 1.00 0.00 C ATOM 592 C LYS A 816 -2.237 10.962 -2.463 1.00 0.00 C ATOM 593 O LYS A 816 -1.253 11.082 -1.733 1.00 0.00 O ATOM 594 CB LYS A 816 -4.086 12.535 -3.067 1.00 0.00 C ATOM 595 CG LYS A 816 -4.431 13.917 -3.596 1.00 0.00 C ATOM 596 CD LYS A 816 -4.000 15.008 -2.629 1.00 0.00 C ATOM 597 CE LYS A 816 -3.962 16.369 -3.306 1.00 0.00 C ATOM 598 NZ LYS A 816 -3.207 17.368 -2.500 1.00 0.00 N ATOM 0 H LYS A 816 -3.471 11.484 -5.233 1.00 0.00 H new ATOM 0 HA LYS A 816 -1.980 12.931 -3.253 1.00 0.00 H new ATOM 0 HB2 LYS A 816 -4.788 11.811 -3.481 1.00 0.00 H new ATOM 0 HB3 LYS A 816 -4.219 12.526 -1.985 1.00 0.00 H new ATOM 0 HG2 LYS A 816 -3.945 14.071 -4.559 1.00 0.00 H new ATOM 0 HG3 LYS A 816 -5.505 13.984 -3.767 1.00 0.00 H new ATOM 0 HD2 LYS A 816 -4.688 15.040 -1.784 1.00 0.00 H new ATOM 0 HD3 LYS A 816 -3.014 14.772 -2.228 1.00 0.00 H new ATOM 0 HE2 LYS A 816 -3.502 16.273 -4.289 1.00 0.00 H new ATOM 0 HE3 LYS A 816 -4.980 16.725 -3.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 816 -3.204 18.283 -2.995 1.00 0.00 H new ATOM 0 HZ2 LYS A 816 -3.661 17.479 -1.571 1.00 0.00 H new ATOM 0 HZ3 LYS A 816 -2.228 17.041 -2.370 1.00 0.00 H new ATOM 612 N VAL A 817 -2.988 9.865 -2.491 1.00 0.00 N ATOM 613 CA VAL A 817 -2.690 8.714 -1.648 1.00 0.00 C ATOM 614 C VAL A 817 -1.212 8.345 -1.723 1.00 0.00 C ATOM 615 O VAL A 817 -0.643 7.818 -0.767 1.00 0.00 O ATOM 616 CB VAL A 817 -3.534 7.490 -2.051 1.00 0.00 C ATOM 617 CG1 VAL A 817 -2.822 6.679 -3.123 1.00 0.00 C ATOM 618 CG2 VAL A 817 -3.838 6.629 -0.834 1.00 0.00 C ATOM 0 H VAL A 817 -3.807 9.750 -3.088 1.00 0.00 H new ATOM 0 HA VAL A 817 -2.939 8.998 -0.626 1.00 0.00 H new ATOM 0 HB VAL A 817 -4.479 7.843 -2.464 1.00 0.00 H new ATOM 0 HG11 VAL A 817 -3.434 5.819 -3.395 1.00 0.00 H new ATOM 0 HG12 VAL A 817 -2.660 7.302 -4.003 1.00 0.00 H new ATOM 0 HG13 VAL A 817 -1.861 6.335 -2.741 1.00 0.00 H new ATOM 0 HG21 VAL A 817 -4.435 5.769 -1.137 1.00 0.00 H new ATOM 0 HG22 VAL A 817 -2.904 6.284 -0.390 1.00 0.00 H new ATOM 0 HG23 VAL A 817 -4.393 7.216 -0.102 1.00 0.00 H new ATOM 628 N LYS A 818 -0.596 8.626 -2.866 1.00 0.00 N ATOM 629 CA LYS A 818 0.817 8.326 -3.068 1.00 0.00 C ATOM 630 C LYS A 818 1.697 9.340 -2.344 1.00 0.00 C ATOM 631 O LYS A 818 2.627 8.970 -1.628 1.00 0.00 O ATOM 632 CB LYS A 818 1.150 8.320 -4.561 1.00 0.00 C ATOM 633 CG LYS A 818 2.521 7.746 -4.876 1.00 0.00 C ATOM 634 CD LYS A 818 2.682 7.471 -6.362 1.00 0.00 C ATOM 635 CE LYS A 818 3.177 8.701 -7.107 1.00 0.00 C ATOM 636 NZ LYS A 818 2.158 9.787 -7.122 1.00 0.00 N ATOM 0 H LYS A 818 -1.053 9.061 -3.667 1.00 0.00 H new ATOM 0 HA LYS A 818 1.016 7.337 -2.654 1.00 0.00 H new ATOM 0 HB2 LYS A 818 0.393 7.742 -5.091 1.00 0.00 H new ATOM 0 HB3 LYS A 818 1.096 9.340 -4.941 1.00 0.00 H new ATOM 0 HG2 LYS A 818 3.292 8.443 -4.548 1.00 0.00 H new ATOM 0 HG3 LYS A 818 2.667 6.822 -4.316 1.00 0.00 H new ATOM 0 HD2 LYS A 818 3.384 6.650 -6.507 1.00 0.00 H new ATOM 0 HD3 LYS A 818 1.727 7.152 -6.779 1.00 0.00 H new ATOM 0 HE2 LYS A 818 4.091 9.067 -6.638 1.00 0.00 H new ATOM 0 HE3 LYS A 818 3.432 8.428 -8.131 1.00 0.00 H new ATOM 0 HZ1 LYS A 818 2.245 10.332 -8.003 1.00 0.00 H new ATOM 0 HZ2 LYS A 818 1.207 9.371 -7.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 818 2.310 10.417 -6.309 1.00 0.00 H new ATOM 650 N ASP A 819 1.396 10.620 -2.535 1.00 0.00 N ATOM 651 CA ASP A 819 2.158 11.688 -1.898 1.00 0.00 C ATOM 652 C ASP A 819 1.962 11.668 -0.386 1.00 0.00 C ATOM 653 O ASP A 819 2.727 12.282 0.359 1.00 0.00 O ATOM 654 CB ASP A 819 1.741 13.047 -2.461 1.00 0.00 C ATOM 655 CG ASP A 819 2.404 13.352 -3.790 1.00 0.00 C ATOM 656 OD1 ASP A 819 3.487 12.791 -4.055 1.00 0.00 O ATOM 657 OD2 ASP A 819 1.839 14.152 -4.566 1.00 0.00 O ATOM 0 H ASP A 819 0.630 10.943 -3.126 1.00 0.00 H new ATOM 0 HA ASP A 819 3.214 11.524 -2.111 1.00 0.00 H new ATOM 0 HB2 ASP A 819 0.658 13.069 -2.585 1.00 0.00 H new ATOM 0 HB3 ASP A 819 1.995 13.828 -1.744 1.00 0.00 H new ATOM 662 N LYS A 820 0.931 10.960 0.063 1.00 0.00 N ATOM 663 CA LYS A 820 0.633 10.859 1.487 1.00 0.00 C ATOM 664 C LYS A 820 1.282 9.619 2.092 1.00 0.00 C ATOM 665 O LYS A 820 1.809 9.661 3.204 1.00 0.00 O ATOM 666 CB LYS A 820 -0.880 10.817 1.710 1.00 0.00 C ATOM 667 CG LYS A 820 -1.509 12.189 1.879 1.00 0.00 C ATOM 668 CD LYS A 820 -1.189 12.786 3.239 1.00 0.00 C ATOM 669 CE LYS A 820 -2.262 13.768 3.683 1.00 0.00 C ATOM 670 NZ LYS A 820 -2.139 15.078 2.986 1.00 0.00 N ATOM 0 H LYS A 820 0.287 10.447 -0.539 1.00 0.00 H new ATOM 0 HA LYS A 820 1.043 11.739 1.982 1.00 0.00 H new ATOM 0 HB2 LYS A 820 -1.349 10.313 0.865 1.00 0.00 H new ATOM 0 HB3 LYS A 820 -1.092 10.218 2.596 1.00 0.00 H new ATOM 0 HG2 LYS A 820 -1.148 12.855 1.095 1.00 0.00 H new ATOM 0 HG3 LYS A 820 -2.590 12.112 1.760 1.00 0.00 H new ATOM 0 HD2 LYS A 820 -1.098 11.988 3.976 1.00 0.00 H new ATOM 0 HD3 LYS A 820 -0.225 13.293 3.197 1.00 0.00 H new ATOM 0 HE2 LYS A 820 -3.246 13.343 3.486 1.00 0.00 H new ATOM 0 HE3 LYS A 820 -2.190 13.922 4.760 1.00 0.00 H new ATOM 0 HZ1 LYS A 820 -2.888 15.719 3.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 820 -1.210 15.496 3.194 1.00 0.00 H new ATOM 0 HZ3 LYS A 820 -2.233 14.936 1.960 1.00 0.00 H new ATOM 684 N VAL A 821 1.242 8.515 1.353 1.00 0.00 N ATOM 685 CA VAL A 821 1.828 7.263 1.816 1.00 0.00 C ATOM 686 C VAL A 821 3.345 7.279 1.668 1.00 0.00 C ATOM 687 O VAL A 821 4.060 6.636 2.436 1.00 0.00 O ATOM 688 CB VAL A 821 1.261 6.058 1.042 1.00 0.00 C ATOM 689 CG1 VAL A 821 -0.248 5.975 1.213 1.00 0.00 C ATOM 690 CG2 VAL A 821 1.635 6.145 -0.429 1.00 0.00 C ATOM 0 H VAL A 821 0.810 8.462 0.431 1.00 0.00 H new ATOM 0 HA VAL A 821 1.569 7.163 2.870 1.00 0.00 H new ATOM 0 HB VAL A 821 1.699 5.148 1.451 1.00 0.00 H new ATOM 0 HG11 VAL A 821 -0.630 5.118 0.659 1.00 0.00 H new ATOM 0 HG12 VAL A 821 -0.489 5.861 2.270 1.00 0.00 H new ATOM 0 HG13 VAL A 821 -0.708 6.887 0.833 1.00 0.00 H new ATOM 0 HG21 VAL A 821 1.226 5.285 -0.960 1.00 0.00 H new ATOM 0 HG22 VAL A 821 1.227 7.062 -0.854 1.00 0.00 H new ATOM 0 HG23 VAL A 821 2.720 6.150 -0.529 1.00 0.00 H new ATOM 700 N GLU A 822 3.830 8.018 0.675 1.00 0.00 N ATOM 701 CA GLU A 822 5.263 8.118 0.427 1.00 0.00 C ATOM 702 C GLU A 822 6.040 8.180 1.739 1.00 0.00 C ATOM 703 O GLU A 822 7.208 7.798 1.801 1.00 0.00 O ATOM 704 CB GLU A 822 5.572 9.353 -0.420 1.00 0.00 C ATOM 705 CG GLU A 822 5.599 10.647 0.377 1.00 0.00 C ATOM 706 CD GLU A 822 6.967 10.946 0.958 1.00 0.00 C ATOM 707 OE1 GLU A 822 7.971 10.749 0.242 1.00 0.00 O ATOM 708 OE2 GLU A 822 7.034 11.375 2.129 1.00 0.00 O ATOM 0 H GLU A 822 3.252 8.556 0.030 1.00 0.00 H new ATOM 0 HA GLU A 822 5.574 7.226 -0.117 1.00 0.00 H new ATOM 0 HB2 GLU A 822 6.537 9.216 -0.908 1.00 0.00 H new ATOM 0 HB3 GLU A 822 4.825 9.438 -1.209 1.00 0.00 H new ATOM 0 HG2 GLU A 822 5.294 11.472 -0.266 1.00 0.00 H new ATOM 0 HG3 GLU A 822 4.870 10.587 1.185 1.00 0.00 H new ATOM 715 N SER A 823 5.381 8.665 2.787 1.00 0.00 N ATOM 716 CA SER A 823 6.010 8.782 4.098 1.00 0.00 C ATOM 717 C SER A 823 5.950 7.456 4.850 1.00 0.00 C ATOM 718 O SER A 823 6.000 7.425 6.079 1.00 0.00 O ATOM 719 CB SER A 823 5.327 9.878 4.918 1.00 0.00 C ATOM 720 OG SER A 823 6.171 10.337 5.960 1.00 0.00 O ATOM 0 H SER A 823 4.412 8.983 2.754 1.00 0.00 H new ATOM 0 HA SER A 823 7.057 9.048 3.949 1.00 0.00 H new ATOM 0 HB2 SER A 823 5.062 10.711 4.267 1.00 0.00 H new ATOM 0 HB3 SER A 823 4.398 9.495 5.340 1.00 0.00 H new ATOM 0 HG SER A 823 6.498 9.572 6.477 1.00 0.00 H new ATOM 726 N ASP A 824 5.841 6.364 4.102 1.00 0.00 N ATOM 727 CA ASP A 824 5.775 5.034 4.696 1.00 0.00 C ATOM 728 C ASP A 824 6.643 4.048 3.920 1.00 0.00 C ATOM 729 O ASP A 824 6.708 4.075 2.690 1.00 0.00 O ATOM 730 CB ASP A 824 4.329 4.540 4.733 1.00 0.00 C ATOM 731 CG ASP A 824 4.143 3.359 5.666 1.00 0.00 C ATOM 732 OD1 ASP A 824 4.426 2.218 5.244 1.00 0.00 O ATOM 733 OD2 ASP A 824 3.717 3.577 6.819 1.00 0.00 O ATOM 0 H ASP A 824 5.796 6.373 3.083 1.00 0.00 H new ATOM 0 HA ASP A 824 6.154 5.100 5.716 1.00 0.00 H new ATOM 0 HB2 ASP A 824 3.678 5.355 5.049 1.00 0.00 H new ATOM 0 HB3 ASP A 824 4.019 4.257 3.727 1.00 0.00 H new ATOM 738 N PRO A 825 7.327 3.157 4.652 1.00 0.00 N ATOM 739 CA PRO A 825 8.204 2.146 4.053 1.00 0.00 C ATOM 740 C PRO A 825 7.423 1.075 3.300 1.00 0.00 C ATOM 741 O PRO A 825 7.895 0.540 2.296 1.00 0.00 O ATOM 742 CB PRO A 825 8.920 1.537 5.261 1.00 0.00 C ATOM 743 CG PRO A 825 7.993 1.765 6.405 1.00 0.00 C ATOM 744 CD PRO A 825 7.297 3.067 6.122 1.00 0.00 C ATOM 0 HA PRO A 825 8.879 2.578 3.314 1.00 0.00 H new ATOM 0 HB2 PRO A 825 9.112 0.474 5.113 1.00 0.00 H new ATOM 0 HB3 PRO A 825 9.885 2.015 5.432 1.00 0.00 H new ATOM 0 HG2 PRO A 825 7.275 0.950 6.493 1.00 0.00 H new ATOM 0 HG3 PRO A 825 8.540 1.812 7.347 1.00 0.00 H new ATOM 0 HD2 PRO A 825 6.276 3.068 6.504 1.00 0.00 H new ATOM 0 HD3 PRO A 825 7.812 3.908 6.587 1.00 0.00 H new ATOM 752 N ARG A 826 6.228 0.765 3.791 1.00 0.00 N ATOM 753 CA ARG A 826 5.382 -0.243 3.164 1.00 0.00 C ATOM 754 C ARG A 826 5.199 0.048 1.678 1.00 0.00 C ATOM 755 O ARG A 826 5.242 -0.860 0.847 1.00 0.00 O ATOM 756 CB ARG A 826 4.019 -0.298 3.856 1.00 0.00 C ATOM 757 CG ARG A 826 4.092 -0.718 5.315 1.00 0.00 C ATOM 758 CD ARG A 826 2.715 -0.743 5.958 1.00 0.00 C ATOM 759 NE ARG A 826 2.259 0.594 6.330 1.00 0.00 N ATOM 760 CZ ARG A 826 1.360 0.827 7.279 1.00 0.00 C ATOM 761 NH1 ARG A 826 0.822 -0.183 7.949 1.00 0.00 N ATOM 762 NH2 ARG A 826 0.996 2.072 7.560 1.00 0.00 N ATOM 0 H ARG A 826 5.824 1.198 4.621 1.00 0.00 H new ATOM 0 HA ARG A 826 5.874 -1.210 3.269 1.00 0.00 H new ATOM 0 HB2 ARG A 826 3.549 0.683 3.793 1.00 0.00 H new ATOM 0 HB3 ARG A 826 3.376 -0.995 3.318 1.00 0.00 H new ATOM 0 HG2 ARG A 826 4.546 -1.706 5.388 1.00 0.00 H new ATOM 0 HG3 ARG A 826 4.737 -0.029 5.861 1.00 0.00 H new ATOM 0 HD2 ARG A 826 2.001 -1.190 5.267 1.00 0.00 H new ATOM 0 HD3 ARG A 826 2.741 -1.377 6.844 1.00 0.00 H new ATOM 0 HE ARG A 826 2.653 1.393 5.833 1.00 0.00 H new ATOM 0 HH11 ARG A 826 1.099 -1.141 7.736 1.00 0.00 H new ATOM 0 HH12 ARG A 826 0.132 -0.002 8.678 1.00 0.00 H new ATOM 0 HH21 ARG A 826 1.407 2.852 7.047 1.00 0.00 H new ATOM 0 HH22 ARG A 826 0.305 2.249 8.289 1.00 0.00 H new ATOM 776 N TYR A 827 4.994 1.319 1.351 1.00 0.00 N ATOM 777 CA TYR A 827 4.801 1.730 -0.035 1.00 0.00 C ATOM 778 C TYR A 827 6.042 1.428 -0.871 1.00 0.00 C ATOM 779 O TYR A 827 5.942 1.050 -2.038 1.00 0.00 O ATOM 780 CB TYR A 827 4.475 3.223 -0.106 1.00 0.00 C ATOM 781 CG TYR A 827 4.732 3.835 -1.464 1.00 0.00 C ATOM 782 CD1 TYR A 827 6.016 4.194 -1.856 1.00 0.00 C ATOM 783 CD2 TYR A 827 3.690 4.053 -2.357 1.00 0.00 C ATOM 784 CE1 TYR A 827 6.254 4.754 -3.096 1.00 0.00 C ATOM 785 CE2 TYR A 827 3.919 4.611 -3.600 1.00 0.00 C ATOM 786 CZ TYR A 827 5.203 4.960 -3.964 1.00 0.00 C ATOM 787 OH TYR A 827 5.437 5.517 -5.201 1.00 0.00 O ATOM 0 H TYR A 827 4.957 2.082 2.026 1.00 0.00 H new ATOM 0 HA TYR A 827 3.964 1.163 -0.442 1.00 0.00 H new ATOM 0 HB2 TYR A 827 3.428 3.370 0.157 1.00 0.00 H new ATOM 0 HB3 TYR A 827 5.069 3.752 0.640 1.00 0.00 H new ATOM 0 HD1 TYR A 827 6.842 4.032 -1.179 1.00 0.00 H new ATOM 0 HD2 TYR A 827 2.684 3.782 -2.075 1.00 0.00 H new ATOM 0 HE1 TYR A 827 7.258 5.029 -3.384 1.00 0.00 H new ATOM 0 HE2 TYR A 827 3.098 4.773 -4.282 1.00 0.00 H new ATOM 0 HH TYR A 827 6.338 5.276 -5.503 1.00 0.00 H new ATOM 797 N LYS A 828 7.211 1.598 -0.263 1.00 0.00 N ATOM 798 CA LYS A 828 8.473 1.343 -0.948 1.00 0.00 C ATOM 799 C LYS A 828 8.686 -0.153 -1.157 1.00 0.00 C ATOM 800 O LYS A 828 9.476 -0.564 -2.006 1.00 0.00 O ATOM 801 CB LYS A 828 9.639 1.928 -0.146 1.00 0.00 C ATOM 802 CG LYS A 828 9.289 3.211 0.587 1.00 0.00 C ATOM 803 CD LYS A 828 10.536 3.941 1.058 1.00 0.00 C ATOM 804 CE LYS A 828 10.940 3.508 2.459 1.00 0.00 C ATOM 805 NZ LYS A 828 12.368 3.820 2.746 1.00 0.00 N ATOM 0 H LYS A 828 7.311 1.911 0.703 1.00 0.00 H new ATOM 0 HA LYS A 828 8.432 1.826 -1.924 1.00 0.00 H new ATOM 0 HB2 LYS A 828 9.979 1.187 0.578 1.00 0.00 H new ATOM 0 HB3 LYS A 828 10.473 2.121 -0.821 1.00 0.00 H new ATOM 0 HG2 LYS A 828 8.712 3.861 -0.071 1.00 0.00 H new ATOM 0 HG3 LYS A 828 8.655 2.981 1.444 1.00 0.00 H new ATOM 0 HD2 LYS A 828 11.355 3.747 0.366 1.00 0.00 H new ATOM 0 HD3 LYS A 828 10.356 5.016 1.046 1.00 0.00 H new ATOM 0 HE2 LYS A 828 10.305 4.007 3.191 1.00 0.00 H new ATOM 0 HE3 LYS A 828 10.773 2.437 2.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 828 12.604 3.510 3.710 1.00 0.00 H new ATOM 0 HZ2 LYS A 828 12.976 3.323 2.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 828 12.522 4.845 2.665 1.00 0.00 H new ATOM 819 N ALA A 829 7.976 -0.962 -0.378 1.00 0.00 N ATOM 820 CA ALA A 829 8.085 -2.411 -0.481 1.00 0.00 C ATOM 821 C ALA A 829 7.688 -2.894 -1.872 1.00 0.00 C ATOM 822 O ALA A 829 8.360 -3.741 -2.461 1.00 0.00 O ATOM 823 CB ALA A 829 7.223 -3.082 0.578 1.00 0.00 C ATOM 0 H ALA A 829 7.319 -0.638 0.332 1.00 0.00 H new ATOM 0 HA ALA A 829 9.127 -2.685 -0.313 1.00 0.00 H new ATOM 0 HB1 ALA A 829 7.314 -4.165 0.489 1.00 0.00 H new ATOM 0 HB2 ALA A 829 7.555 -2.770 1.568 1.00 0.00 H new ATOM 0 HB3 ALA A 829 6.182 -2.793 0.436 1.00 0.00 H new ATOM 829 N VAL A 830 6.592 -2.351 -2.392 1.00 0.00 N ATOM 830 CA VAL A 830 6.106 -2.726 -3.714 1.00 0.00 C ATOM 831 C VAL A 830 7.115 -2.357 -4.796 1.00 0.00 C ATOM 832 O VAL A 830 7.503 -1.196 -4.927 1.00 0.00 O ATOM 833 CB VAL A 830 4.760 -2.048 -4.031 1.00 0.00 C ATOM 834 CG1 VAL A 830 4.218 -2.534 -5.367 1.00 0.00 C ATOM 835 CG2 VAL A 830 3.758 -2.307 -2.915 1.00 0.00 C ATOM 0 H VAL A 830 6.024 -1.649 -1.917 1.00 0.00 H new ATOM 0 HA VAL A 830 5.967 -3.807 -3.704 1.00 0.00 H new ATOM 0 HB VAL A 830 4.923 -0.973 -4.102 1.00 0.00 H new ATOM 0 HG11 VAL A 830 3.267 -2.044 -5.574 1.00 0.00 H new ATOM 0 HG12 VAL A 830 4.929 -2.294 -6.157 1.00 0.00 H new ATOM 0 HG13 VAL A 830 4.069 -3.613 -5.328 1.00 0.00 H new ATOM 0 HG21 VAL A 830 2.812 -1.821 -3.155 1.00 0.00 H new ATOM 0 HG22 VAL A 830 3.598 -3.380 -2.811 1.00 0.00 H new ATOM 0 HG23 VAL A 830 4.145 -1.906 -1.978 1.00 0.00 H new ATOM 845 N ASP A 831 7.536 -3.352 -5.569 1.00 0.00 N ATOM 846 CA ASP A 831 8.499 -3.132 -6.641 1.00 0.00 C ATOM 847 C ASP A 831 7.788 -2.892 -7.970 1.00 0.00 C ATOM 848 O ASP A 831 8.047 -1.901 -8.653 1.00 0.00 O ATOM 849 CB ASP A 831 9.442 -4.330 -6.763 1.00 0.00 C ATOM 850 CG ASP A 831 8.695 -5.644 -6.883 1.00 0.00 C ATOM 851 OD1 ASP A 831 8.141 -6.107 -5.864 1.00 0.00 O ATOM 852 OD2 ASP A 831 8.665 -6.210 -7.996 1.00 0.00 O ATOM 0 H ASP A 831 7.225 -4.319 -5.473 1.00 0.00 H new ATOM 0 HA ASP A 831 9.082 -2.244 -6.395 1.00 0.00 H new ATOM 0 HB2 ASP A 831 10.082 -4.198 -7.636 1.00 0.00 H new ATOM 0 HB3 ASP A 831 10.095 -4.365 -5.891 1.00 0.00 H new ATOM 857 N SER A 832 6.893 -3.806 -8.329 1.00 0.00 N ATOM 858 CA SER A 832 6.148 -3.696 -9.578 1.00 0.00 C ATOM 859 C SER A 832 5.111 -2.580 -9.496 1.00 0.00 C ATOM 860 O SER A 832 4.217 -2.608 -8.651 1.00 0.00 O ATOM 861 CB SER A 832 5.460 -5.023 -9.905 1.00 0.00 C ATOM 862 OG SER A 832 6.407 -6.068 -10.041 1.00 0.00 O ATOM 0 H SER A 832 6.666 -4.631 -7.773 1.00 0.00 H new ATOM 0 HA SER A 832 6.854 -3.455 -10.373 1.00 0.00 H new ATOM 0 HB2 SER A 832 4.750 -5.272 -9.117 1.00 0.00 H new ATOM 0 HB3 SER A 832 4.889 -4.923 -10.828 1.00 0.00 H new ATOM 0 HG SER A 832 6.978 -6.098 -9.245 1.00 0.00 H new ATOM 868 N SER A 833 5.239 -1.597 -10.382 1.00 0.00 N ATOM 869 CA SER A 833 4.316 -0.468 -10.408 1.00 0.00 C ATOM 870 C SER A 833 2.892 -0.936 -10.693 1.00 0.00 C ATOM 871 O SER A 833 1.936 -0.458 -10.083 1.00 0.00 O ATOM 872 CB SER A 833 4.751 0.549 -11.465 1.00 0.00 C ATOM 873 OG SER A 833 4.604 0.021 -12.772 1.00 0.00 O ATOM 0 H SER A 833 5.972 -1.560 -11.090 1.00 0.00 H new ATOM 0 HA SER A 833 4.334 0.007 -9.427 1.00 0.00 H new ATOM 0 HB2 SER A 833 4.156 1.457 -11.367 1.00 0.00 H new ATOM 0 HB3 SER A 833 5.791 0.830 -11.298 1.00 0.00 H new ATOM 0 HG SER A 833 4.887 0.691 -13.429 1.00 0.00 H new ATOM 879 N SER A 834 2.760 -1.875 -11.625 1.00 0.00 N ATOM 880 CA SER A 834 1.453 -2.407 -11.994 1.00 0.00 C ATOM 881 C SER A 834 0.652 -2.788 -10.753 1.00 0.00 C ATOM 882 O SER A 834 -0.545 -2.513 -10.665 1.00 0.00 O ATOM 883 CB SER A 834 1.614 -3.625 -12.906 1.00 0.00 C ATOM 884 OG SER A 834 0.374 -4.280 -13.105 1.00 0.00 O ATOM 0 H SER A 834 3.542 -2.283 -12.138 1.00 0.00 H new ATOM 0 HA SER A 834 0.909 -1.630 -12.531 1.00 0.00 H new ATOM 0 HB2 SER A 834 2.022 -3.312 -13.867 1.00 0.00 H new ATOM 0 HB3 SER A 834 2.330 -4.320 -12.467 1.00 0.00 H new ATOM 0 HG SER A 834 0.503 -5.054 -13.692 1.00 0.00 H new ATOM 890 N MET A 835 1.320 -3.424 -9.797 1.00 0.00 N ATOM 891 CA MET A 835 0.671 -3.843 -8.560 1.00 0.00 C ATOM 892 C MET A 835 0.149 -2.638 -7.785 1.00 0.00 C ATOM 893 O MET A 835 -0.969 -2.656 -7.270 1.00 0.00 O ATOM 894 CB MET A 835 1.646 -4.640 -7.692 1.00 0.00 C ATOM 895 CG MET A 835 2.237 -5.851 -8.396 1.00 0.00 C ATOM 896 SD MET A 835 1.055 -7.201 -8.567 1.00 0.00 S ATOM 897 CE MET A 835 1.022 -7.837 -6.893 1.00 0.00 C ATOM 0 H MET A 835 2.310 -3.661 -9.855 1.00 0.00 H new ATOM 0 HA MET A 835 -0.175 -4.479 -8.820 1.00 0.00 H new ATOM 0 HB2 MET A 835 2.456 -3.984 -7.374 1.00 0.00 H new ATOM 0 HB3 MET A 835 1.130 -4.970 -6.790 1.00 0.00 H new ATOM 0 HG2 MET A 835 2.590 -5.555 -9.384 1.00 0.00 H new ATOM 0 HG3 MET A 835 3.106 -6.202 -7.839 1.00 0.00 H new ATOM 0 HE1 MET A 835 0.861 -8.915 -6.916 1.00 0.00 H new ATOM 0 HE2 MET A 835 1.972 -7.622 -6.403 1.00 0.00 H new ATOM 0 HE3 MET A 835 0.213 -7.361 -6.339 1.00 0.00 H new ATOM 907 N ARG A 836 0.965 -1.592 -7.706 1.00 0.00 N ATOM 908 CA ARG A 836 0.586 -0.379 -6.992 1.00 0.00 C ATOM 909 C ARG A 836 -0.727 0.181 -7.530 1.00 0.00 C ATOM 910 O ARG A 836 -1.714 0.281 -6.802 1.00 0.00 O ATOM 911 CB ARG A 836 1.689 0.675 -7.112 1.00 0.00 C ATOM 912 CG ARG A 836 2.889 0.404 -6.219 1.00 0.00 C ATOM 913 CD ARG A 836 3.970 1.458 -6.405 1.00 0.00 C ATOM 914 NE ARG A 836 4.906 1.100 -7.467 1.00 0.00 N ATOM 915 CZ ARG A 836 5.602 1.991 -8.164 1.00 0.00 C ATOM 916 NH1 ARG A 836 5.468 3.286 -7.912 1.00 0.00 N ATOM 917 NH2 ARG A 836 6.435 1.588 -9.115 1.00 0.00 N ATOM 0 H ARG A 836 1.893 -1.560 -8.128 1.00 0.00 H new ATOM 0 HA ARG A 836 0.449 -0.634 -5.941 1.00 0.00 H new ATOM 0 HB2 ARG A 836 2.022 0.724 -8.149 1.00 0.00 H new ATOM 0 HB3 ARG A 836 1.275 1.652 -6.863 1.00 0.00 H new ATOM 0 HG2 ARG A 836 2.572 0.386 -5.176 1.00 0.00 H new ATOM 0 HG3 ARG A 836 3.297 -0.581 -6.445 1.00 0.00 H new ATOM 0 HD2 ARG A 836 3.506 2.416 -6.639 1.00 0.00 H new ATOM 0 HD3 ARG A 836 4.515 1.587 -5.470 1.00 0.00 H new ATOM 0 HE ARG A 836 5.032 0.112 -7.686 1.00 0.00 H new ATOM 0 HH11 ARG A 836 4.829 3.600 -7.181 1.00 0.00 H new ATOM 0 HH12 ARG A 836 6.004 3.968 -8.449 1.00 0.00 H new ATOM 0 HH21 ARG A 836 6.541 0.593 -9.312 1.00 0.00 H new ATOM 0 HH22 ARG A 836 6.969 2.273 -9.649 1.00 0.00 H new ATOM 931 N GLU A 837 -0.730 0.543 -8.809 1.00 0.00 N ATOM 932 CA GLU A 837 -1.922 1.094 -9.444 1.00 0.00 C ATOM 933 C GLU A 837 -3.071 0.089 -9.408 1.00 0.00 C ATOM 934 O GLU A 837 -4.156 0.388 -8.910 1.00 0.00 O ATOM 935 CB GLU A 837 -1.620 1.489 -10.891 1.00 0.00 C ATOM 936 CG GLU A 837 -1.120 2.916 -11.040 1.00 0.00 C ATOM 937 CD GLU A 837 -0.182 3.085 -12.220 1.00 0.00 C ATOM 938 OE1 GLU A 837 0.921 2.500 -12.188 1.00 0.00 O ATOM 939 OE2 GLU A 837 -0.551 3.801 -13.174 1.00 0.00 O ATOM 0 H GLU A 837 0.079 0.465 -9.426 1.00 0.00 H new ATOM 0 HA GLU A 837 -2.221 1.982 -8.888 1.00 0.00 H new ATOM 0 HB2 GLU A 837 -0.873 0.807 -11.297 1.00 0.00 H new ATOM 0 HB3 GLU A 837 -2.523 1.365 -11.489 1.00 0.00 H new ATOM 0 HG2 GLU A 837 -1.972 3.585 -11.159 1.00 0.00 H new ATOM 0 HG3 GLU A 837 -0.606 3.214 -10.126 1.00 0.00 H new ATOM 946 N ASP A 838 -2.823 -1.102 -9.941 1.00 0.00 N ATOM 947 CA ASP A 838 -3.835 -2.152 -9.971 1.00 0.00 C ATOM 948 C ASP A 838 -4.447 -2.356 -8.588 1.00 0.00 C ATOM 949 O ASP A 838 -5.651 -2.178 -8.398 1.00 0.00 O ATOM 950 CB ASP A 838 -3.226 -3.463 -10.471 1.00 0.00 C ATOM 951 CG ASP A 838 -4.276 -4.431 -10.981 1.00 0.00 C ATOM 952 OD1 ASP A 838 -5.192 -3.985 -11.703 1.00 0.00 O ATOM 953 OD2 ASP A 838 -4.181 -5.633 -10.658 1.00 0.00 O ATOM 0 H ASP A 838 -1.930 -1.365 -10.358 1.00 0.00 H new ATOM 0 HA ASP A 838 -4.624 -1.843 -10.656 1.00 0.00 H new ATOM 0 HB2 ASP A 838 -2.515 -3.249 -11.269 1.00 0.00 H new ATOM 0 HB3 ASP A 838 -2.666 -3.932 -9.662 1.00 0.00 H new ATOM 958 N LEU A 839 -3.611 -2.731 -7.627 1.00 0.00 N ATOM 959 CA LEU A 839 -4.070 -2.960 -6.261 1.00 0.00 C ATOM 960 C LEU A 839 -4.900 -1.783 -5.760 1.00 0.00 C ATOM 961 O LEU A 839 -6.022 -1.958 -5.285 1.00 0.00 O ATOM 962 CB LEU A 839 -2.876 -3.189 -5.333 1.00 0.00 C ATOM 963 CG LEU A 839 -2.095 -4.485 -5.550 1.00 0.00 C ATOM 964 CD1 LEU A 839 -0.772 -4.444 -4.802 1.00 0.00 C ATOM 965 CD2 LEU A 839 -2.921 -5.685 -5.110 1.00 0.00 C ATOM 0 H LEU A 839 -2.612 -2.883 -7.768 1.00 0.00 H new ATOM 0 HA LEU A 839 -4.699 -3.850 -6.260 1.00 0.00 H new ATOM 0 HB2 LEU A 839 -2.188 -2.351 -5.446 1.00 0.00 H new ATOM 0 HB3 LEU A 839 -3.233 -3.172 -4.303 1.00 0.00 H new ATOM 0 HG LEU A 839 -1.883 -4.584 -6.615 1.00 0.00 H new ATOM 0 HD11 LEU A 839 -0.231 -5.375 -4.969 1.00 0.00 H new ATOM 0 HD12 LEU A 839 -0.175 -3.607 -5.164 1.00 0.00 H new ATOM 0 HD13 LEU A 839 -0.961 -4.320 -3.736 1.00 0.00 H new ATOM 0 HD21 LEU A 839 -2.350 -6.599 -5.272 1.00 0.00 H new ATOM 0 HD22 LEU A 839 -3.164 -5.591 -4.052 1.00 0.00 H new ATOM 0 HD23 LEU A 839 -3.842 -5.725 -5.691 1.00 0.00 H new ATOM 977 N PHE A 840 -4.341 -0.582 -5.872 1.00 0.00 N ATOM 978 CA PHE A 840 -5.030 0.626 -5.431 1.00 0.00 C ATOM 979 C PHE A 840 -6.409 0.731 -6.077 1.00 0.00 C ATOM 980 O PHE A 840 -7.432 0.693 -5.394 1.00 0.00 O ATOM 981 CB PHE A 840 -4.199 1.865 -5.770 1.00 0.00 C ATOM 982 CG PHE A 840 -4.902 3.158 -5.470 1.00 0.00 C ATOM 983 CD1 PHE A 840 -5.343 3.441 -4.187 1.00 0.00 C ATOM 984 CD2 PHE A 840 -5.121 4.091 -6.470 1.00 0.00 C ATOM 985 CE1 PHE A 840 -5.989 4.630 -3.907 1.00 0.00 C ATOM 986 CE2 PHE A 840 -5.767 5.282 -6.196 1.00 0.00 C ATOM 987 CZ PHE A 840 -6.202 5.551 -4.913 1.00 0.00 C ATOM 0 H PHE A 840 -3.414 -0.419 -6.264 1.00 0.00 H new ATOM 0 HA PHE A 840 -5.158 0.568 -4.350 1.00 0.00 H new ATOM 0 HB2 PHE A 840 -3.264 1.830 -5.210 1.00 0.00 H new ATOM 0 HB3 PHE A 840 -3.938 1.839 -6.828 1.00 0.00 H new ATOM 0 HD1 PHE A 840 -5.180 2.724 -3.396 1.00 0.00 H new ATOM 0 HD2 PHE A 840 -4.783 3.886 -7.475 1.00 0.00 H new ATOM 0 HE1 PHE A 840 -6.327 4.838 -2.903 1.00 0.00 H new ATOM 0 HE2 PHE A 840 -5.931 6.002 -6.984 1.00 0.00 H new ATOM 0 HZ PHE A 840 -6.708 6.480 -4.697 1.00 0.00 H new ATOM 997 N LYS A 841 -6.427 0.866 -7.399 1.00 0.00 N ATOM 998 CA LYS A 841 -7.678 0.977 -8.140 1.00 0.00 C ATOM 999 C LYS A 841 -8.639 -0.144 -7.757 1.00 0.00 C ATOM 1000 O LYS A 841 -9.844 0.073 -7.637 1.00 0.00 O ATOM 1001 CB LYS A 841 -7.408 0.939 -9.645 1.00 0.00 C ATOM 1002 CG LYS A 841 -6.993 2.282 -10.222 1.00 0.00 C ATOM 1003 CD LYS A 841 -6.081 2.113 -11.426 1.00 0.00 C ATOM 1004 CE LYS A 841 -6.878 1.874 -12.700 1.00 0.00 C ATOM 1005 NZ LYS A 841 -7.431 3.141 -13.254 1.00 0.00 N ATOM 0 H LYS A 841 -5.589 0.901 -7.979 1.00 0.00 H new ATOM 0 HA LYS A 841 -8.139 1.931 -7.884 1.00 0.00 H new ATOM 0 HB2 LYS A 841 -6.625 0.208 -9.847 1.00 0.00 H new ATOM 0 HB3 LYS A 841 -8.306 0.594 -10.158 1.00 0.00 H new ATOM 0 HG2 LYS A 841 -7.880 2.844 -10.513 1.00 0.00 H new ATOM 0 HG3 LYS A 841 -6.482 2.866 -9.456 1.00 0.00 H new ATOM 0 HD2 LYS A 841 -5.463 3.003 -11.544 1.00 0.00 H new ATOM 0 HD3 LYS A 841 -5.404 1.276 -11.256 1.00 0.00 H new ATOM 0 HE2 LYS A 841 -6.239 1.400 -13.445 1.00 0.00 H new ATOM 0 HE3 LYS A 841 -7.694 1.181 -12.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 -7.967 2.936 -14.121 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 -8.061 3.580 -12.553 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 -6.651 3.793 -13.475 1.00 0.00 H new ATOM 1019 N GLN A 842 -8.096 -1.343 -7.565 1.00 0.00 N ATOM 1020 CA GLN A 842 -8.906 -2.497 -7.194 1.00 0.00 C ATOM 1021 C GLN A 842 -9.693 -2.223 -5.917 1.00 0.00 C ATOM 1022 O GLN A 842 -10.919 -2.340 -5.894 1.00 0.00 O ATOM 1023 CB GLN A 842 -8.020 -3.729 -7.006 1.00 0.00 C ATOM 1024 CG GLN A 842 -7.814 -4.531 -8.282 1.00 0.00 C ATOM 1025 CD GLN A 842 -7.101 -5.846 -8.036 1.00 0.00 C ATOM 1026 OE1 GLN A 842 -7.726 -6.906 -7.991 1.00 0.00 O ATOM 1027 NE2 GLN A 842 -5.784 -5.784 -7.875 1.00 0.00 N ATOM 0 H GLN A 842 -7.100 -1.540 -7.660 1.00 0.00 H new ATOM 0 HA GLN A 842 -9.614 -2.686 -8.001 1.00 0.00 H new ATOM 0 HB2 GLN A 842 -7.049 -3.413 -6.624 1.00 0.00 H new ATOM 0 HB3 GLN A 842 -8.465 -4.374 -6.249 1.00 0.00 H new ATOM 0 HG2 GLN A 842 -8.782 -4.728 -8.743 1.00 0.00 H new ATOM 0 HG3 GLN A 842 -7.238 -3.937 -8.991 1.00 0.00 H new ATOM 0 HE21 GLN A 842 -5.307 -4.884 -7.920 1.00 0.00 H new ATOM 0 HE22 GLN A 842 -5.250 -6.637 -7.706 1.00 0.00 H new ATOM 1036 N TYR A 843 -8.982 -1.857 -4.857 1.00 0.00 N ATOM 1037 CA TYR A 843 -9.613 -1.569 -3.575 1.00 0.00 C ATOM 1038 C TYR A 843 -10.682 -0.491 -3.724 1.00 0.00 C ATOM 1039 O TYR A 843 -11.836 -0.688 -3.343 1.00 0.00 O ATOM 1040 CB TYR A 843 -8.564 -1.125 -2.554 1.00 0.00 C ATOM 1041 CG TYR A 843 -9.018 -1.267 -1.119 1.00 0.00 C ATOM 1042 CD1 TYR A 843 -9.839 -0.313 -0.531 1.00 0.00 C ATOM 1043 CD2 TYR A 843 -8.624 -2.356 -0.350 1.00 0.00 C ATOM 1044 CE1 TYR A 843 -10.255 -0.439 0.780 1.00 0.00 C ATOM 1045 CE2 TYR A 843 -9.037 -2.490 0.962 1.00 0.00 C ATOM 1046 CZ TYR A 843 -9.852 -1.529 1.522 1.00 0.00 C ATOM 1047 OH TYR A 843 -10.264 -1.659 2.829 1.00 0.00 O ATOM 0 H TYR A 843 -7.967 -1.753 -4.860 1.00 0.00 H new ATOM 0 HA TYR A 843 -10.091 -2.483 -3.221 1.00 0.00 H new ATOM 0 HB2 TYR A 843 -7.657 -1.712 -2.699 1.00 0.00 H new ATOM 0 HB3 TYR A 843 -8.304 -0.083 -2.743 1.00 0.00 H new ATOM 0 HD1 TYR A 843 -10.157 0.542 -1.109 1.00 0.00 H new ATOM 0 HD2 TYR A 843 -7.985 -3.110 -0.785 1.00 0.00 H new ATOM 0 HE1 TYR A 843 -10.893 0.312 1.222 1.00 0.00 H new ATOM 0 HE2 TYR A 843 -8.723 -3.343 1.546 1.00 0.00 H new ATOM 0 HH TYR A 843 -9.892 -2.483 3.209 1.00 0.00 H new ATOM 1057 N ILE A 844 -10.289 0.649 -4.283 1.00 0.00 N ATOM 1058 CA ILE A 844 -11.213 1.758 -4.485 1.00 0.00 C ATOM 1059 C ILE A 844 -12.448 1.311 -5.259 1.00 0.00 C ATOM 1060 O ILE A 844 -13.576 1.637 -4.889 1.00 0.00 O ATOM 1061 CB ILE A 844 -10.541 2.920 -5.240 1.00 0.00 C ATOM 1062 CG1 ILE A 844 -9.403 3.510 -4.405 1.00 0.00 C ATOM 1063 CG2 ILE A 844 -11.565 3.992 -5.582 1.00 0.00 C ATOM 1064 CD1 ILE A 844 -9.817 3.886 -3.000 1.00 0.00 C ATOM 0 H ILE A 844 -9.338 0.829 -4.604 1.00 0.00 H new ATOM 0 HA ILE A 844 -11.513 2.103 -3.495 1.00 0.00 H new ATOM 0 HB ILE A 844 -10.122 2.535 -6.170 1.00 0.00 H new ATOM 0 HG12 ILE A 844 -8.588 2.788 -4.354 1.00 0.00 H new ATOM 0 HG13 ILE A 844 -9.014 4.394 -4.909 1.00 0.00 H new ATOM 0 HG21 ILE A 844 -11.075 4.806 -6.115 1.00 0.00 H new ATOM 0 HG22 ILE A 844 -12.344 3.563 -6.212 1.00 0.00 H new ATOM 0 HG23 ILE A 844 -12.011 4.376 -4.664 1.00 0.00 H new ATOM 0 HD11 ILE A 844 -8.960 4.297 -2.466 1.00 0.00 H new ATOM 0 HD12 ILE A 844 -10.611 4.632 -3.042 1.00 0.00 H new ATOM 0 HD13 ILE A 844 -10.179 3.000 -2.478 1.00 0.00 H new ATOM 1076 N GLU A 845 -12.227 0.560 -6.334 1.00 0.00 N ATOM 1077 CA GLU A 845 -13.323 0.067 -7.159 1.00 0.00 C ATOM 1078 C GLU A 845 -14.363 -0.656 -6.308 1.00 0.00 C ATOM 1079 O GLU A 845 -15.566 -0.453 -6.470 1.00 0.00 O ATOM 1080 CB GLU A 845 -12.792 -0.873 -8.243 1.00 0.00 C ATOM 1081 CG GLU A 845 -13.886 -1.578 -9.027 1.00 0.00 C ATOM 1082 CD GLU A 845 -14.875 -0.611 -9.649 1.00 0.00 C ATOM 1083 OE1 GLU A 845 -14.546 -0.019 -10.698 1.00 0.00 O ATOM 1084 OE2 GLU A 845 -15.978 -0.447 -9.086 1.00 0.00 O ATOM 0 H GLU A 845 -11.300 0.280 -6.653 1.00 0.00 H new ATOM 0 HA GLU A 845 -13.800 0.924 -7.634 1.00 0.00 H new ATOM 0 HB2 GLU A 845 -12.171 -0.303 -8.934 1.00 0.00 H new ATOM 0 HB3 GLU A 845 -12.149 -1.621 -7.780 1.00 0.00 H new ATOM 0 HG2 GLU A 845 -13.433 -2.183 -9.812 1.00 0.00 H new ATOM 0 HG3 GLU A 845 -14.419 -2.261 -8.366 1.00 0.00 H new ATOM 1091 N LYS A 846 -13.889 -1.503 -5.399 1.00 0.00 N ATOM 1092 CA LYS A 846 -14.775 -2.257 -4.521 1.00 0.00 C ATOM 1093 C LYS A 846 -15.602 -1.320 -3.647 1.00 0.00 C ATOM 1094 O LYS A 846 -16.808 -1.508 -3.488 1.00 0.00 O ATOM 1095 CB LYS A 846 -13.963 -3.210 -3.640 1.00 0.00 C ATOM 1096 CG LYS A 846 -14.792 -4.322 -3.022 1.00 0.00 C ATOM 1097 CD LYS A 846 -13.926 -5.290 -2.232 1.00 0.00 C ATOM 1098 CE LYS A 846 -13.541 -4.714 -0.877 1.00 0.00 C ATOM 1099 NZ LYS A 846 -14.573 -4.997 0.158 1.00 0.00 N ATOM 0 H LYS A 846 -12.896 -1.684 -5.252 1.00 0.00 H new ATOM 0 HA LYS A 846 -15.455 -2.838 -5.144 1.00 0.00 H new ATOM 0 HB2 LYS A 846 -13.165 -3.652 -4.237 1.00 0.00 H new ATOM 0 HB3 LYS A 846 -13.486 -2.638 -2.844 1.00 0.00 H new ATOM 0 HG2 LYS A 846 -15.549 -3.891 -2.367 1.00 0.00 H new ATOM 0 HG3 LYS A 846 -15.320 -4.863 -3.807 1.00 0.00 H new ATOM 0 HD2 LYS A 846 -14.463 -6.228 -2.091 1.00 0.00 H new ATOM 0 HD3 LYS A 846 -13.025 -5.521 -2.800 1.00 0.00 H new ATOM 0 HE2 LYS A 846 -12.586 -5.134 -0.562 1.00 0.00 H new ATOM 0 HE3 LYS A 846 -13.402 -3.637 -0.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 846 -14.274 -4.589 1.067 1.00 0.00 H new ATOM 0 HZ2 LYS A 846 -15.479 -4.575 -0.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 846 -14.688 -6.025 0.262 1.00 0.00 H new ATOM 1113 N ILE A 847 -14.946 -0.311 -3.084 1.00 0.00 N ATOM 1114 CA ILE A 847 -15.622 0.656 -2.228 1.00 0.00 C ATOM 1115 C ILE A 847 -16.782 1.322 -2.961 1.00 0.00 C ATOM 1116 O ILE A 847 -17.943 1.154 -2.588 1.00 0.00 O ATOM 1117 CB ILE A 847 -14.652 1.744 -1.732 1.00 0.00 C ATOM 1118 CG1 ILE A 847 -13.471 1.108 -0.995 1.00 0.00 C ATOM 1119 CG2 ILE A 847 -15.378 2.730 -0.829 1.00 0.00 C ATOM 1120 CD1 ILE A 847 -12.348 2.078 -0.702 1.00 0.00 C ATOM 0 H ILE A 847 -13.947 -0.142 -3.205 1.00 0.00 H new ATOM 0 HA ILE A 847 -16.005 0.104 -1.370 1.00 0.00 H new ATOM 0 HB ILE A 847 -14.267 2.287 -2.595 1.00 0.00 H new ATOM 0 HG12 ILE A 847 -13.826 0.682 -0.057 1.00 0.00 H new ATOM 0 HG13 ILE A 847 -13.082 0.284 -1.593 1.00 0.00 H new ATOM 0 HG21 ILE A 847 -14.679 3.493 -0.487 1.00 0.00 H new ATOM 0 HG22 ILE A 847 -16.188 3.203 -1.384 1.00 0.00 H new ATOM 0 HG23 ILE A 847 -15.788 2.201 0.032 1.00 0.00 H new ATOM 0 HD11 ILE A 847 -11.546 1.558 -0.179 1.00 0.00 H new ATOM 0 HD12 ILE A 847 -11.966 2.486 -1.638 1.00 0.00 H new ATOM 0 HD13 ILE A 847 -12.722 2.890 -0.078 1.00 0.00 H new ATOM 1132 N ALA A 848 -16.460 2.076 -4.007 1.00 0.00 N ATOM 1133 CA ALA A 848 -17.475 2.763 -4.795 1.00 0.00 C ATOM 1134 C ALA A 848 -18.591 1.809 -5.205 1.00 0.00 C ATOM 1135 O ALA A 848 -19.765 2.180 -5.220 1.00 0.00 O ATOM 1136 CB ALA A 848 -16.846 3.402 -6.024 1.00 0.00 C ATOM 0 H ALA A 848 -15.504 2.226 -4.328 1.00 0.00 H new ATOM 0 HA ALA A 848 -17.912 3.546 -4.175 1.00 0.00 H new ATOM 0 HB1 ALA A 848 -17.616 3.912 -6.603 1.00 0.00 H new ATOM 0 HB2 ALA A 848 -16.090 4.122 -5.713 1.00 0.00 H new ATOM 0 HB3 ALA A 848 -16.381 2.630 -6.638 1.00 0.00 H new