USER MOD reduce.3.24.130724 H: found=0, std=0, add=464, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 463 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD 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 -40:sc= 1.02 USER MOD Single : A 805 ASN : amide:sc= -0.416 K(o=-0.42,f=-1.8!) USER MOD Single : A 806 HIS : no HE2:sc= -7.37! C(o=-7.4!,f=-5.6!) USER MOD Single : A 807 HIS : no HD1:sc= -0.0669 X(o=-0.067,f=-0.43) USER MOD Single : A 810 SER OG : rot 180:sc= -0.0332 USER MOD Single : A 811 GLN : amide:sc= 0 X(o=0,f=-0.001) USER MOD Single : A 812 SER OG : rot -82:sc= -1.64 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+ 159:sc= -0.0518 (180deg=-0.3) USER MOD Single : A 820 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0355) USER MOD Single : A 823 SER OG : rot 180:sc= 0 USER MOD Single : A 827 TYR OH : rot 15:sc= -0.174 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 -137:sc= -0.147 (180deg=-0.893) USER MOD Single : A 841 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.055) USER MOD Single : A 842 GLN : amide:sc= 0 X(o=0,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 2.452 -12.261 -1.848 1.00 0.00 N ATOM 209 CA GLU A 793 1.324 -12.319 -0.926 1.00 0.00 C ATOM 210 C GLU A 793 1.496 -11.312 0.208 1.00 0.00 C ATOM 211 O GLU A 793 0.661 -10.428 0.401 1.00 0.00 O ATOM 212 CB GLU A 793 1.177 -13.729 -0.352 1.00 0.00 C ATOM 213 CG GLU A 793 0.043 -13.863 0.650 1.00 0.00 C ATOM 214 CD GLU A 793 -0.522 -15.270 0.707 1.00 0.00 C ATOM 215 OE1 GLU A 793 0.136 -16.150 1.299 1.00 0.00 O ATOM 216 OE2 GLU A 793 -1.623 -15.489 0.159 1.00 0.00 O ATOM 0 HA GLU A 793 0.421 -12.065 -1.481 1.00 0.00 H new ATOM 0 HB2 GLU A 793 1.012 -14.430 -1.170 1.00 0.00 H new ATOM 0 HB3 GLU A 793 2.112 -14.015 0.130 1.00 0.00 H new ATOM 0 HG2 GLU A 793 0.402 -13.579 1.639 1.00 0.00 H new ATOM 0 HG3 GLU A 793 -0.753 -13.166 0.388 1.00 0.00 H new ATOM 223 N LYS A 794 2.586 -11.452 0.954 1.00 0.00 N ATOM 224 CA LYS A 794 2.871 -10.555 2.069 1.00 0.00 C ATOM 225 C LYS A 794 2.856 -9.099 1.614 1.00 0.00 C ATOM 226 O LYS A 794 2.081 -8.289 2.123 1.00 0.00 O ATOM 227 CB LYS A 794 4.229 -10.893 2.688 1.00 0.00 C ATOM 228 CG LYS A 794 4.682 -9.898 3.742 1.00 0.00 C ATOM 229 CD LYS A 794 3.797 -9.952 4.976 1.00 0.00 C ATOM 230 CE LYS A 794 4.515 -9.405 6.201 1.00 0.00 C ATOM 231 NZ LYS A 794 5.426 -10.416 6.806 1.00 0.00 N ATOM 0 H LYS A 794 3.287 -12.178 0.807 1.00 0.00 H new ATOM 0 HA LYS A 794 2.092 -10.691 2.820 1.00 0.00 H new ATOM 0 HB2 LYS A 794 4.178 -11.886 3.136 1.00 0.00 H new ATOM 0 HB3 LYS A 794 4.978 -10.938 1.897 1.00 0.00 H new ATOM 0 HG2 LYS A 794 5.714 -10.109 4.023 1.00 0.00 H new ATOM 0 HG3 LYS A 794 4.665 -8.891 3.325 1.00 0.00 H new ATOM 0 HD2 LYS A 794 2.888 -9.377 4.799 1.00 0.00 H new ATOM 0 HD3 LYS A 794 3.492 -10.982 5.161 1.00 0.00 H new ATOM 0 HE2 LYS A 794 5.088 -8.521 5.922 1.00 0.00 H new ATOM 0 HE3 LYS A 794 3.781 -9.088 6.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 794 5.897 -10.006 7.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 794 4.876 -11.250 7.096 1.00 0.00 H new ATOM 0 HZ3 LYS A 794 6.143 -10.700 6.108 1.00 0.00 H new ATOM 245 N ILE A 795 3.714 -8.776 0.653 1.00 0.00 N ATOM 246 CA ILE A 795 3.797 -7.418 0.128 1.00 0.00 C ATOM 247 C ILE A 795 2.409 -6.847 -0.140 1.00 0.00 C ATOM 248 O ILE A 795 2.125 -5.695 0.188 1.00 0.00 O ATOM 249 CB ILE A 795 4.621 -7.366 -1.172 1.00 0.00 C ATOM 250 CG1 ILE A 795 6.037 -7.891 -0.925 1.00 0.00 C ATOM 251 CG2 ILE A 795 4.664 -5.946 -1.715 1.00 0.00 C ATOM 252 CD1 ILE A 795 6.715 -8.410 -2.174 1.00 0.00 C ATOM 0 H ILE A 795 4.362 -9.435 0.222 1.00 0.00 H new ATOM 0 HA ILE A 795 4.295 -6.816 0.888 1.00 0.00 H new ATOM 0 HB ILE A 795 4.142 -8.004 -1.915 1.00 0.00 H new ATOM 0 HG12 ILE A 795 6.643 -7.092 -0.498 1.00 0.00 H new ATOM 0 HG13 ILE A 795 5.996 -8.690 -0.185 1.00 0.00 H new ATOM 0 HG21 ILE A 795 5.250 -5.925 -2.634 1.00 0.00 H new ATOM 0 HG22 ILE A 795 3.650 -5.605 -1.924 1.00 0.00 H new ATOM 0 HG23 ILE A 795 5.123 -5.288 -0.977 1.00 0.00 H new ATOM 0 HD11 ILE A 795 7.715 -8.766 -1.924 1.00 0.00 H new ATOM 0 HD12 ILE A 795 6.131 -9.231 -2.591 1.00 0.00 H new ATOM 0 HD13 ILE A 795 6.788 -7.608 -2.908 1.00 0.00 H new ATOM 264 N LYS A 796 1.545 -7.662 -0.737 1.00 0.00 N ATOM 265 CA LYS A 796 0.184 -7.240 -1.048 1.00 0.00 C ATOM 266 C LYS A 796 -0.586 -6.908 0.226 1.00 0.00 C ATOM 267 O LYS A 796 -1.045 -5.780 0.409 1.00 0.00 O ATOM 268 CB LYS A 796 -0.546 -8.337 -1.826 1.00 0.00 C ATOM 269 CG LYS A 796 -2.034 -8.078 -1.991 1.00 0.00 C ATOM 270 CD LYS A 796 -2.752 -9.294 -2.551 1.00 0.00 C ATOM 271 CE LYS A 796 -2.659 -9.347 -4.068 1.00 0.00 C ATOM 272 NZ LYS A 796 -3.194 -10.626 -4.612 1.00 0.00 N ATOM 0 H LYS A 796 1.763 -8.619 -1.015 1.00 0.00 H new ATOM 0 HA LYS A 796 0.240 -6.342 -1.663 1.00 0.00 H new ATOM 0 HB2 LYS A 796 -0.091 -8.436 -2.812 1.00 0.00 H new ATOM 0 HB3 LYS A 796 -0.406 -9.289 -1.314 1.00 0.00 H new ATOM 0 HG2 LYS A 796 -2.467 -7.810 -1.027 1.00 0.00 H new ATOM 0 HG3 LYS A 796 -2.185 -7.227 -2.655 1.00 0.00 H new ATOM 0 HD2 LYS A 796 -2.320 -10.200 -2.127 1.00 0.00 H new ATOM 0 HD3 LYS A 796 -3.799 -9.270 -2.250 1.00 0.00 H new ATOM 0 HE2 LYS A 796 -3.213 -8.511 -4.495 1.00 0.00 H new ATOM 0 HE3 LYS A 796 -1.619 -9.230 -4.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 796 -3.113 -10.623 -5.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 796 -2.650 -11.423 -4.224 1.00 0.00 H new ATOM 0 HZ3 LYS A 796 -4.194 -10.726 -4.343 1.00 0.00 H new ATOM 286 N SER A 797 -0.723 -7.896 1.105 1.00 0.00 N ATOM 287 CA SER A 797 -1.440 -7.709 2.360 1.00 0.00 C ATOM 288 C SER A 797 -1.090 -6.364 2.990 1.00 0.00 C ATOM 289 O SER A 797 -1.967 -5.537 3.242 1.00 0.00 O ATOM 290 CB SER A 797 -1.111 -8.842 3.334 1.00 0.00 C ATOM 291 OG SER A 797 -1.957 -8.800 4.470 1.00 0.00 O ATOM 0 H SER A 797 -0.346 -8.834 0.970 1.00 0.00 H new ATOM 0 HA SER A 797 -2.508 -7.723 2.145 1.00 0.00 H new ATOM 0 HB2 SER A 797 -1.221 -9.802 2.830 1.00 0.00 H new ATOM 0 HB3 SER A 797 -0.070 -8.764 3.649 1.00 0.00 H new ATOM 0 HG SER A 797 -1.728 -9.535 5.076 1.00 0.00 H new ATOM 297 N ASP A 798 0.197 -6.153 3.242 1.00 0.00 N ATOM 298 CA ASP A 798 0.665 -4.908 3.841 1.00 0.00 C ATOM 299 C ASP A 798 0.172 -3.703 3.046 1.00 0.00 C ATOM 300 O ASP A 798 -0.261 -2.703 3.618 1.00 0.00 O ATOM 301 CB ASP A 798 2.192 -4.896 3.916 1.00 0.00 C ATOM 302 CG ASP A 798 2.742 -6.051 4.730 1.00 0.00 C ATOM 303 OD1 ASP A 798 2.903 -7.153 4.164 1.00 0.00 O ATOM 304 OD2 ASP A 798 3.011 -5.853 5.933 1.00 0.00 O ATOM 0 H ASP A 798 0.935 -6.828 3.041 1.00 0.00 H new ATOM 0 HA ASP A 798 0.259 -4.844 4.851 1.00 0.00 H new ATOM 0 HB2 ASP A 798 2.603 -4.939 2.907 1.00 0.00 H new ATOM 0 HB3 ASP A 798 2.524 -3.955 4.356 1.00 0.00 H new ATOM 309 N PHE A 799 0.244 -3.805 1.723 1.00 0.00 N ATOM 310 CA PHE A 799 -0.193 -2.722 0.848 1.00 0.00 C ATOM 311 C PHE A 799 -1.629 -2.314 1.163 1.00 0.00 C ATOM 312 O PHE A 799 -1.895 -1.168 1.524 1.00 0.00 O ATOM 313 CB PHE A 799 -0.081 -3.146 -0.618 1.00 0.00 C ATOM 314 CG PHE A 799 -0.073 -1.990 -1.577 1.00 0.00 C ATOM 315 CD1 PHE A 799 0.885 -0.995 -1.474 1.00 0.00 C ATOM 316 CD2 PHE A 799 -1.023 -1.900 -2.581 1.00 0.00 C ATOM 317 CE1 PHE A 799 0.894 0.070 -2.355 1.00 0.00 C ATOM 318 CE2 PHE A 799 -1.019 -0.837 -3.466 1.00 0.00 C ATOM 319 CZ PHE A 799 -0.058 0.149 -3.353 1.00 0.00 C ATOM 0 H PHE A 799 0.600 -4.626 1.233 1.00 0.00 H new ATOM 0 HA PHE A 799 0.456 -1.864 1.022 1.00 0.00 H new ATOM 0 HB2 PHE A 799 0.833 -3.725 -0.752 1.00 0.00 H new ATOM 0 HB3 PHE A 799 -0.914 -3.805 -0.862 1.00 0.00 H new ATOM 0 HD1 PHE A 799 1.633 -1.052 -0.697 1.00 0.00 H new ATOM 0 HD2 PHE A 799 -1.776 -2.669 -2.674 1.00 0.00 H new ATOM 0 HE1 PHE A 799 1.645 0.840 -2.263 1.00 0.00 H new ATOM 0 HE2 PHE A 799 -1.766 -0.778 -4.244 1.00 0.00 H new ATOM 0 HZ PHE A 799 -0.051 0.980 -4.043 1.00 0.00 H new ATOM 329 N PHE A 800 -2.551 -3.261 1.023 1.00 0.00 N ATOM 330 CA PHE A 800 -3.961 -3.001 1.291 1.00 0.00 C ATOM 331 C PHE A 800 -4.145 -2.371 2.669 1.00 0.00 C ATOM 332 O PHE A 800 -4.776 -1.323 2.804 1.00 0.00 O ATOM 333 CB PHE A 800 -4.767 -4.298 1.199 1.00 0.00 C ATOM 334 CG PHE A 800 -5.094 -4.701 -0.211 1.00 0.00 C ATOM 335 CD1 PHE A 800 -5.708 -3.809 -1.076 1.00 0.00 C ATOM 336 CD2 PHE A 800 -4.789 -5.972 -0.671 1.00 0.00 C ATOM 337 CE1 PHE A 800 -6.010 -4.176 -2.374 1.00 0.00 C ATOM 338 CE2 PHE A 800 -5.088 -6.345 -1.967 1.00 0.00 C ATOM 339 CZ PHE A 800 -5.700 -5.446 -2.820 1.00 0.00 C ATOM 0 H PHE A 800 -2.347 -4.215 0.726 1.00 0.00 H new ATOM 0 HA PHE A 800 -4.325 -2.301 0.539 1.00 0.00 H new ATOM 0 HB2 PHE A 800 -4.205 -5.100 1.677 1.00 0.00 H new ATOM 0 HB3 PHE A 800 -5.694 -4.181 1.759 1.00 0.00 H new ATOM 0 HD1 PHE A 800 -5.953 -2.815 -0.732 1.00 0.00 H new ATOM 0 HD2 PHE A 800 -4.312 -6.679 -0.009 1.00 0.00 H new ATOM 0 HE1 PHE A 800 -6.488 -3.471 -3.038 1.00 0.00 H new ATOM 0 HE2 PHE A 800 -4.844 -7.338 -2.313 1.00 0.00 H new ATOM 0 HZ PHE A 800 -5.935 -5.736 -3.833 1.00 0.00 H new ATOM 349 N GLU A 801 -3.591 -3.020 3.689 1.00 0.00 N ATOM 350 CA GLU A 801 -3.696 -2.524 5.056 1.00 0.00 C ATOM 351 C GLU A 801 -3.452 -1.019 5.109 1.00 0.00 C ATOM 352 O GLU A 801 -4.255 -0.268 5.664 1.00 0.00 O ATOM 353 CB GLU A 801 -2.696 -3.246 5.962 1.00 0.00 C ATOM 354 CG GLU A 801 -3.058 -4.697 6.232 1.00 0.00 C ATOM 355 CD GLU A 801 -2.491 -5.205 7.544 1.00 0.00 C ATOM 356 OE1 GLU A 801 -1.334 -5.672 7.550 1.00 0.00 O ATOM 357 OE2 GLU A 801 -3.207 -5.134 8.565 1.00 0.00 O ATOM 0 H GLU A 801 -3.066 -3.889 3.594 1.00 0.00 H new ATOM 0 HA GLU A 801 -4.707 -2.723 5.411 1.00 0.00 H new ATOM 0 HB2 GLU A 801 -1.708 -3.206 5.503 1.00 0.00 H new ATOM 0 HB3 GLU A 801 -2.629 -2.714 6.911 1.00 0.00 H new ATOM 0 HG2 GLU A 801 -4.143 -4.801 6.245 1.00 0.00 H new ATOM 0 HG3 GLU A 801 -2.688 -5.318 5.416 1.00 0.00 H new ATOM 364 N LEU A 802 -2.338 -0.585 4.529 1.00 0.00 N ATOM 365 CA LEU A 802 -1.987 0.830 4.510 1.00 0.00 C ATOM 366 C LEU A 802 -3.066 1.650 3.809 1.00 0.00 C ATOM 367 O LEU A 802 -3.661 2.550 4.403 1.00 0.00 O ATOM 368 CB LEU A 802 -0.642 1.033 3.811 1.00 0.00 C ATOM 369 CG LEU A 802 -0.118 2.469 3.765 1.00 0.00 C ATOM 370 CD1 LEU A 802 0.113 2.997 5.173 1.00 0.00 C ATOM 371 CD2 LEU A 802 1.163 2.544 2.948 1.00 0.00 C ATOM 0 H LEU A 802 -1.663 -1.193 4.066 1.00 0.00 H new ATOM 0 HA LEU A 802 -1.909 1.173 5.542 1.00 0.00 H new ATOM 0 HB2 LEU A 802 0.102 0.412 4.311 1.00 0.00 H new ATOM 0 HB3 LEU A 802 -0.728 0.666 2.788 1.00 0.00 H new ATOM 0 HG LEU A 802 -0.869 3.095 3.283 1.00 0.00 H new ATOM 0 HD11 LEU A 802 0.486 4.020 5.121 1.00 0.00 H new ATOM 0 HD12 LEU A 802 -0.826 2.980 5.726 1.00 0.00 H new ATOM 0 HD13 LEU A 802 0.845 2.369 5.681 1.00 0.00 H new ATOM 0 HD21 LEU A 802 1.521 3.573 2.926 1.00 0.00 H new ATOM 0 HD22 LEU A 802 1.921 1.905 3.401 1.00 0.00 H new ATOM 0 HD23 LEU A 802 0.966 2.207 1.930 1.00 0.00 H new ATOM 383 N LEU A 803 -3.314 1.332 2.543 1.00 0.00 N ATOM 384 CA LEU A 803 -4.323 2.037 1.761 1.00 0.00 C ATOM 385 C LEU A 803 -5.603 2.227 2.568 1.00 0.00 C ATOM 386 O LEU A 803 -6.042 3.354 2.799 1.00 0.00 O ATOM 387 CB LEU A 803 -4.628 1.269 0.474 1.00 0.00 C ATOM 388 CG LEU A 803 -3.449 1.059 -0.478 1.00 0.00 C ATOM 389 CD1 LEU A 803 -3.845 0.139 -1.622 1.00 0.00 C ATOM 390 CD2 LEU A 803 -2.951 2.394 -1.012 1.00 0.00 C ATOM 0 H LEU A 803 -2.830 0.591 2.037 1.00 0.00 H new ATOM 0 HA LEU A 803 -3.927 3.020 1.505 1.00 0.00 H new ATOM 0 HB2 LEU A 803 -5.030 0.292 0.744 1.00 0.00 H new ATOM 0 HB3 LEU A 803 -5.414 1.799 -0.064 1.00 0.00 H new ATOM 0 HG LEU A 803 -2.638 0.587 0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 803 -2.994 0.001 -2.289 1.00 0.00 H new ATOM 0 HD12 LEU A 803 -4.153 -0.827 -1.222 1.00 0.00 H new ATOM 0 HD13 LEU A 803 -4.672 0.583 -2.176 1.00 0.00 H new ATOM 0 HD21 LEU A 803 -2.112 2.226 -1.687 1.00 0.00 H new ATOM 0 HD22 LEU A 803 -3.756 2.894 -1.551 1.00 0.00 H new ATOM 0 HD23 LEU A 803 -2.627 3.020 -0.181 1.00 0.00 H new ATOM 402 N SER A 804 -6.197 1.118 2.997 1.00 0.00 N ATOM 403 CA SER A 804 -7.427 1.162 3.778 1.00 0.00 C ATOM 404 C SER A 804 -7.289 2.122 4.956 1.00 0.00 C ATOM 405 O SER A 804 -8.206 2.884 5.260 1.00 0.00 O ATOM 406 CB SER A 804 -7.786 -0.236 4.284 1.00 0.00 C ATOM 407 OG SER A 804 -6.868 -0.672 5.273 1.00 0.00 O ATOM 0 H SER A 804 -5.846 0.178 2.817 1.00 0.00 H new ATOM 0 HA SER A 804 -8.226 1.522 3.130 1.00 0.00 H new ATOM 0 HB2 SER A 804 -8.795 -0.229 4.697 1.00 0.00 H new ATOM 0 HB3 SER A 804 -7.788 -0.938 3.451 1.00 0.00 H new ATOM 0 HG SER A 804 -5.960 -0.406 5.017 1.00 0.00 H new ATOM 413 N ASN A 805 -6.136 2.077 5.615 1.00 0.00 N ATOM 414 CA ASN A 805 -5.877 2.942 6.761 1.00 0.00 C ATOM 415 C ASN A 805 -5.931 4.412 6.356 1.00 0.00 C ATOM 416 O ASN A 805 -6.207 5.284 7.180 1.00 0.00 O ATOM 417 CB ASN A 805 -4.511 2.620 7.370 1.00 0.00 C ATOM 418 CG ASN A 805 -4.505 1.294 8.107 1.00 0.00 C ATOM 419 OD1 ASN A 805 -5.556 0.778 8.487 1.00 0.00 O ATOM 420 ND2 ASN A 805 -3.317 0.738 8.313 1.00 0.00 N ATOM 0 H ASN A 805 -5.367 1.452 5.376 1.00 0.00 H new ATOM 0 HA ASN A 805 -6.652 2.759 7.505 1.00 0.00 H new ATOM 0 HB2 ASN A 805 -3.760 2.597 6.580 1.00 0.00 H new ATOM 0 HB3 ASN A 805 -4.226 3.416 8.058 1.00 0.00 H new ATOM 0 HD21 ASN A 805 -3.249 -0.153 8.804 1.00 0.00 H new ATOM 0 HD22 ASN A 805 -2.472 1.202 7.980 1.00 0.00 H new ATOM 427 N HIS A 806 -5.667 4.679 5.081 1.00 0.00 N ATOM 428 CA HIS A 806 -5.688 6.044 4.566 1.00 0.00 C ATOM 429 C HIS A 806 -7.115 6.489 4.263 1.00 0.00 C ATOM 430 O HIS A 806 -7.361 7.203 3.290 1.00 0.00 O ATOM 431 CB HIS A 806 -4.830 6.148 3.304 1.00 0.00 C ATOM 432 CG HIS A 806 -3.365 6.279 3.585 1.00 0.00 C ATOM 433 ND1 HIS A 806 -2.556 7.197 2.948 1.00 0.00 N ATOM 434 CD2 HIS A 806 -2.563 5.604 4.441 1.00 0.00 C ATOM 435 CE1 HIS A 806 -1.320 7.079 3.400 1.00 0.00 C ATOM 436 NE2 HIS A 806 -1.298 6.119 4.307 1.00 0.00 N ATOM 0 H HIS A 806 -5.436 3.969 4.386 1.00 0.00 H new ATOM 0 HA HIS A 806 -5.277 6.701 5.332 1.00 0.00 H new ATOM 0 HB2 HIS A 806 -4.996 5.264 2.688 1.00 0.00 H new ATOM 0 HB3 HIS A 806 -5.158 7.009 2.721 1.00 0.00 H new ATOM 0 HD1 HIS A 806 -2.864 7.863 2.239 1.00 0.00 H new ATOM 0 HD2 HIS A 806 -2.863 4.808 5.106 1.00 0.00 H new ATOM 0 HE1 HIS A 806 -0.472 7.667 3.082 1.00 0.00 H new ATOM 444 N HIS A 807 -8.053 6.063 5.103 1.00 0.00 N ATOM 445 CA HIS A 807 -9.457 6.418 4.924 1.00 0.00 C ATOM 446 C HIS A 807 -9.796 6.566 3.444 1.00 0.00 C ATOM 447 O HIS A 807 -10.302 7.603 3.013 1.00 0.00 O ATOM 448 CB HIS A 807 -9.774 7.718 5.665 1.00 0.00 C ATOM 449 CG HIS A 807 -11.241 7.967 5.836 1.00 0.00 C ATOM 450 ND1 HIS A 807 -11.947 8.863 5.062 1.00 0.00 N ATOM 451 CD2 HIS A 807 -12.136 7.429 6.698 1.00 0.00 C ATOM 452 CE1 HIS A 807 -13.213 8.868 5.442 1.00 0.00 C ATOM 453 NE2 HIS A 807 -13.353 8.006 6.433 1.00 0.00 N ATOM 0 H HIS A 807 -7.867 5.472 5.913 1.00 0.00 H new ATOM 0 HA HIS A 807 -10.065 5.614 5.339 1.00 0.00 H new ATOM 0 HB2 HIS A 807 -9.301 7.692 6.647 1.00 0.00 H new ATOM 0 HB3 HIS A 807 -9.333 8.553 5.121 1.00 0.00 H new ATOM 0 HD2 HIS A 807 -11.931 6.685 7.453 1.00 0.00 H new ATOM 0 HE1 HIS A 807 -13.999 9.474 5.015 1.00 0.00 H new ATOM 0 HE2 HIS A 807 -14.224 7.802 6.922 1.00 0.00 H new ATOM 461 N LEU A 808 -9.515 5.523 2.671 1.00 0.00 N ATOM 462 CA LEU A 808 -9.790 5.537 1.238 1.00 0.00 C ATOM 463 C LEU A 808 -11.185 6.086 0.957 1.00 0.00 C ATOM 464 O LEU A 808 -11.982 6.284 1.874 1.00 0.00 O ATOM 465 CB LEU A 808 -9.658 4.127 0.660 1.00 0.00 C ATOM 466 CG LEU A 808 -8.277 3.481 0.775 1.00 0.00 C ATOM 467 CD1 LEU A 808 -8.309 2.054 0.251 1.00 0.00 C ATOM 468 CD2 LEU A 808 -7.239 4.303 0.025 1.00 0.00 C ATOM 0 H LEU A 808 -9.097 4.657 3.012 1.00 0.00 H new ATOM 0 HA LEU A 808 -9.060 6.189 0.759 1.00 0.00 H new ATOM 0 HB2 LEU A 808 -10.381 3.482 1.159 1.00 0.00 H new ATOM 0 HB3 LEU A 808 -9.935 4.161 -0.394 1.00 0.00 H new ATOM 0 HG LEU A 808 -7.998 3.453 1.828 1.00 0.00 H new ATOM 0 HD11 LEU A 808 -7.317 1.611 0.341 1.00 0.00 H new ATOM 0 HD12 LEU A 808 -9.022 1.469 0.832 1.00 0.00 H new ATOM 0 HD13 LEU A 808 -8.611 2.058 -0.796 1.00 0.00 H new ATOM 0 HD21 LEU A 808 -6.262 3.828 0.118 1.00 0.00 H new ATOM 0 HD22 LEU A 808 -7.514 4.364 -1.028 1.00 0.00 H new ATOM 0 HD23 LEU A 808 -7.196 5.307 0.447 1.00 0.00 H new ATOM 480 N ASP A 809 -11.474 6.327 -0.317 1.00 0.00 N ATOM 481 CA ASP A 809 -12.775 6.849 -0.721 1.00 0.00 C ATOM 482 C ASP A 809 -13.068 6.511 -2.179 1.00 0.00 C ATOM 483 O ASP A 809 -12.258 5.875 -2.854 1.00 0.00 O ATOM 484 CB ASP A 809 -12.825 8.364 -0.516 1.00 0.00 C ATOM 485 CG ASP A 809 -11.980 9.114 -1.526 1.00 0.00 C ATOM 486 OD1 ASP A 809 -10.744 9.162 -1.347 1.00 0.00 O ATOM 487 OD2 ASP A 809 -12.553 9.651 -2.497 1.00 0.00 O ATOM 0 H ASP A 809 -10.825 6.169 -1.088 1.00 0.00 H new ATOM 0 HA ASP A 809 -13.537 6.380 -0.098 1.00 0.00 H new ATOM 0 HB2 ASP A 809 -13.858 8.703 -0.588 1.00 0.00 H new ATOM 0 HB3 ASP A 809 -12.480 8.603 0.490 1.00 0.00 H new ATOM 492 N SER A 810 -14.231 6.939 -2.658 1.00 0.00 N ATOM 493 CA SER A 810 -14.634 6.677 -4.035 1.00 0.00 C ATOM 494 C SER A 810 -13.772 7.471 -5.013 1.00 0.00 C ATOM 495 O SER A 810 -13.154 6.903 -5.913 1.00 0.00 O ATOM 496 CB SER A 810 -16.109 7.032 -4.234 1.00 0.00 C ATOM 497 OG SER A 810 -16.384 8.344 -3.775 1.00 0.00 O ATOM 0 H SER A 810 -14.911 7.469 -2.113 1.00 0.00 H new ATOM 0 HA SER A 810 -14.494 5.614 -4.233 1.00 0.00 H new ATOM 0 HB2 SER A 810 -16.366 6.951 -5.290 1.00 0.00 H new ATOM 0 HB3 SER A 810 -16.734 6.317 -3.698 1.00 0.00 H new ATOM 0 HG SER A 810 -17.332 8.547 -3.915 1.00 0.00 H new ATOM 503 N GLN A 811 -13.738 8.787 -4.829 1.00 0.00 N ATOM 504 CA GLN A 811 -12.953 9.658 -5.695 1.00 0.00 C ATOM 505 C GLN A 811 -11.498 9.711 -5.241 1.00 0.00 C ATOM 506 O GLN A 811 -10.778 10.663 -5.541 1.00 0.00 O ATOM 507 CB GLN A 811 -13.547 11.068 -5.708 1.00 0.00 C ATOM 508 CG GLN A 811 -13.291 11.825 -7.001 1.00 0.00 C ATOM 509 CD GLN A 811 -14.081 13.115 -7.089 1.00 0.00 C ATOM 510 OE1 GLN A 811 -15.312 13.108 -7.043 1.00 0.00 O ATOM 511 NE2 GLN A 811 -13.377 14.234 -7.216 1.00 0.00 N ATOM 0 H GLN A 811 -14.244 9.273 -4.089 1.00 0.00 H new ATOM 0 HA GLN A 811 -12.984 9.248 -6.704 1.00 0.00 H new ATOM 0 HB2 GLN A 811 -14.622 11.002 -5.543 1.00 0.00 H new ATOM 0 HB3 GLN A 811 -13.131 11.636 -4.876 1.00 0.00 H new ATOM 0 HG2 GLN A 811 -12.227 12.049 -7.082 1.00 0.00 H new ATOM 0 HG3 GLN A 811 -13.548 11.188 -7.847 1.00 0.00 H new ATOM 0 HE21 GLN A 811 -12.358 14.195 -7.250 1.00 0.00 H new ATOM 0 HE22 GLN A 811 -13.855 15.133 -7.280 1.00 0.00 H new ATOM 520 N SER A 812 -11.073 8.682 -4.515 1.00 0.00 N ATOM 521 CA SER A 812 -9.705 8.613 -4.015 1.00 0.00 C ATOM 522 C SER A 812 -8.702 8.842 -5.143 1.00 0.00 C ATOM 523 O SER A 812 -8.669 8.094 -6.120 1.00 0.00 O ATOM 524 CB SER A 812 -9.447 7.256 -3.357 1.00 0.00 C ATOM 525 OG SER A 812 -9.983 6.201 -4.136 1.00 0.00 O ATOM 0 H SER A 812 -11.656 7.885 -4.260 1.00 0.00 H new ATOM 0 HA SER A 812 -9.577 9.400 -3.272 1.00 0.00 H new ATOM 0 HB2 SER A 812 -8.375 7.109 -3.229 1.00 0.00 H new ATOM 0 HB3 SER A 812 -9.892 7.240 -2.362 1.00 0.00 H new ATOM 0 HG SER A 812 -10.939 6.106 -3.944 1.00 0.00 H new ATOM 531 N ARG A 813 -7.887 9.881 -4.999 1.00 0.00 N ATOM 532 CA ARG A 813 -6.884 10.211 -6.004 1.00 0.00 C ATOM 533 C ARG A 813 -5.574 9.480 -5.726 1.00 0.00 C ATOM 534 O ARG A 813 -5.108 9.432 -4.587 1.00 0.00 O ATOM 535 CB ARG A 813 -6.641 11.721 -6.038 1.00 0.00 C ATOM 536 CG ARG A 813 -7.711 12.493 -6.792 1.00 0.00 C ATOM 537 CD ARG A 813 -7.632 12.237 -8.289 1.00 0.00 C ATOM 538 NE ARG A 813 -8.434 13.191 -9.050 1.00 0.00 N ATOM 539 CZ ARG A 813 -8.593 13.130 -10.368 1.00 0.00 C ATOM 540 NH1 ARG A 813 -8.009 12.167 -11.066 1.00 0.00 N ATOM 541 NH2 ARG A 813 -9.339 14.035 -10.989 1.00 0.00 N ATOM 0 H ARG A 813 -7.901 10.509 -4.196 1.00 0.00 H new ATOM 0 HA ARG A 813 -7.261 9.889 -6.975 1.00 0.00 H new ATOM 0 HB2 ARG A 813 -6.588 12.095 -5.016 1.00 0.00 H new ATOM 0 HB3 ARG A 813 -5.672 11.914 -6.499 1.00 0.00 H new ATOM 0 HG2 ARG A 813 -8.696 12.206 -6.424 1.00 0.00 H new ATOM 0 HG3 ARG A 813 -7.597 13.559 -6.598 1.00 0.00 H new ATOM 0 HD2 ARG A 813 -6.593 12.297 -8.613 1.00 0.00 H new ATOM 0 HD3 ARG A 813 -7.974 11.224 -8.502 1.00 0.00 H new ATOM 0 HE ARG A 813 -8.897 13.945 -8.543 1.00 0.00 H new ATOM 0 HH11 ARG A 813 -7.435 11.470 -10.592 1.00 0.00 H new ATOM 0 HH12 ARG A 813 -8.133 12.123 -12.077 1.00 0.00 H new ATOM 0 HH21 ARG A 813 -9.790 14.777 -10.455 1.00 0.00 H new ATOM 0 HH22 ARG A 813 -9.461 13.988 -12.001 1.00 0.00 H new ATOM 555 N TRP A 814 -4.985 8.912 -6.772 1.00 0.00 N ATOM 556 CA TRP A 814 -3.729 8.183 -6.640 1.00 0.00 C ATOM 557 C TRP A 814 -2.586 9.127 -6.284 1.00 0.00 C ATOM 558 O TRP A 814 -2.054 9.083 -5.175 1.00 0.00 O ATOM 559 CB TRP A 814 -3.408 7.439 -7.937 1.00 0.00 C ATOM 560 CG TRP A 814 -2.095 6.718 -7.899 1.00 0.00 C ATOM 561 CD1 TRP A 814 -1.067 6.837 -8.791 1.00 0.00 C ATOM 562 CD2 TRP A 814 -1.670 5.764 -6.920 1.00 0.00 C ATOM 563 NE1 TRP A 814 -0.029 6.015 -8.425 1.00 0.00 N ATOM 564 CE2 TRP A 814 -0.373 5.347 -7.280 1.00 0.00 C ATOM 565 CE3 TRP A 814 -2.256 5.223 -5.772 1.00 0.00 C ATOM 566 CZ2 TRP A 814 0.343 4.414 -6.534 1.00 0.00 C ATOM 567 CZ3 TRP A 814 -1.545 4.297 -5.033 1.00 0.00 C ATOM 568 CH2 TRP A 814 -0.257 3.901 -5.416 1.00 0.00 C ATOM 0 H TRP A 814 -5.357 8.942 -7.721 1.00 0.00 H new ATOM 0 HA TRP A 814 -3.841 7.459 -5.833 1.00 0.00 H new ATOM 0 HB2 TRP A 814 -4.203 6.721 -8.142 1.00 0.00 H new ATOM 0 HB3 TRP A 814 -3.400 8.150 -8.763 1.00 0.00 H new ATOM 0 HD1 TRP A 814 -1.070 7.483 -9.657 1.00 0.00 H new ATOM 0 HE1 TRP A 814 0.855 5.918 -8.925 1.00 0.00 H new ATOM 0 HE3 TRP A 814 -3.248 5.524 -5.468 1.00 0.00 H new ATOM 0 HZ2 TRP A 814 1.336 4.106 -6.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 814 -1.990 3.871 -4.145 1.00 0.00 H new ATOM 0 HH2 TRP A 814 0.273 3.176 -4.817 1.00 0.00 H new ATOM 579 N SER A 815 -2.213 9.981 -7.232 1.00 0.00 N ATOM 580 CA SER A 815 -1.131 10.935 -7.019 1.00 0.00 C ATOM 581 C SER A 815 -1.093 11.398 -5.566 1.00 0.00 C ATOM 582 O SER A 815 -0.023 11.535 -4.973 1.00 0.00 O ATOM 583 CB SER A 815 -1.294 12.140 -7.947 1.00 0.00 C ATOM 584 OG SER A 815 -0.086 12.873 -8.050 1.00 0.00 O ATOM 0 H SER A 815 -2.644 10.032 -8.155 1.00 0.00 H new ATOM 0 HA SER A 815 -0.189 10.435 -7.247 1.00 0.00 H new ATOM 0 HB2 SER A 815 -1.603 11.802 -8.936 1.00 0.00 H new ATOM 0 HB3 SER A 815 -2.085 12.788 -7.570 1.00 0.00 H new ATOM 0 HG SER A 815 -0.217 13.637 -8.650 1.00 0.00 H new ATOM 590 N LYS A 816 -2.269 11.639 -4.998 1.00 0.00 N ATOM 591 CA LYS A 816 -2.374 12.087 -3.614 1.00 0.00 C ATOM 592 C LYS A 816 -2.022 10.958 -2.650 1.00 0.00 C ATOM 593 O LYS A 816 -1.043 11.044 -1.909 1.00 0.00 O ATOM 594 CB LYS A 816 -3.788 12.595 -3.327 1.00 0.00 C ATOM 595 CG LYS A 816 -4.009 14.042 -3.736 1.00 0.00 C ATOM 596 CD LYS A 816 -4.195 14.174 -5.238 1.00 0.00 C ATOM 597 CE LYS A 816 -4.033 15.616 -5.695 1.00 0.00 C ATOM 598 NZ LYS A 816 -2.609 15.957 -5.962 1.00 0.00 N ATOM 0 H LYS A 816 -3.164 11.532 -5.475 1.00 0.00 H new ATOM 0 HA LYS A 816 -1.665 12.902 -3.466 1.00 0.00 H new ATOM 0 HB2 LYS A 816 -4.505 11.964 -3.852 1.00 0.00 H new ATOM 0 HB3 LYS A 816 -3.993 12.492 -2.261 1.00 0.00 H new ATOM 0 HG2 LYS A 816 -4.887 14.436 -3.224 1.00 0.00 H new ATOM 0 HG3 LYS A 816 -3.158 14.645 -3.419 1.00 0.00 H new ATOM 0 HD2 LYS A 816 -3.469 13.544 -5.752 1.00 0.00 H new ATOM 0 HD3 LYS A 816 -5.185 13.812 -5.516 1.00 0.00 H new ATOM 0 HE2 LYS A 816 -4.621 15.779 -6.598 1.00 0.00 H new ATOM 0 HE3 LYS A 816 -4.430 16.285 -4.932 1.00 0.00 H new ATOM 0 HZ1 LYS A 816 -2.541 16.948 -6.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 816 -2.052 15.826 -5.093 1.00 0.00 H new ATOM 0 HZ3 LYS A 816 -2.237 15.335 -6.708 1.00 0.00 H new ATOM 612 N VAL A 817 -2.828 9.901 -2.664 1.00 0.00 N ATOM 613 CA VAL A 817 -2.600 8.754 -1.793 1.00 0.00 C ATOM 614 C VAL A 817 -1.147 8.297 -1.855 1.00 0.00 C ATOM 615 O VAL A 817 -0.612 7.757 -0.886 1.00 0.00 O ATOM 616 CB VAL A 817 -3.515 7.573 -2.168 1.00 0.00 C ATOM 617 CG1 VAL A 817 -2.844 6.687 -3.206 1.00 0.00 C ATOM 618 CG2 VAL A 817 -3.884 6.772 -0.929 1.00 0.00 C ATOM 0 H VAL A 817 -3.645 9.815 -3.269 1.00 0.00 H new ATOM 0 HA VAL A 817 -2.833 9.076 -0.778 1.00 0.00 H new ATOM 0 HB VAL A 817 -4.433 7.970 -2.603 1.00 0.00 H new ATOM 0 HG11 VAL A 817 -3.505 5.858 -3.459 1.00 0.00 H new ATOM 0 HG12 VAL A 817 -2.635 7.271 -4.102 1.00 0.00 H new ATOM 0 HG13 VAL A 817 -1.910 6.296 -2.802 1.00 0.00 H new ATOM 0 HG21 VAL A 817 -4.531 5.941 -1.212 1.00 0.00 H new ATOM 0 HG22 VAL A 817 -2.978 6.384 -0.463 1.00 0.00 H new ATOM 0 HG23 VAL A 817 -4.408 7.416 -0.222 1.00 0.00 H new ATOM 628 N LYS A 818 -0.512 8.517 -3.001 1.00 0.00 N ATOM 629 CA LYS A 818 0.881 8.129 -3.191 1.00 0.00 C ATOM 630 C LYS A 818 1.818 9.100 -2.479 1.00 0.00 C ATOM 631 O LYS A 818 2.795 8.688 -1.853 1.00 0.00 O ATOM 632 CB LYS A 818 1.219 8.080 -4.683 1.00 0.00 C ATOM 633 CG LYS A 818 2.591 7.497 -4.977 1.00 0.00 C ATOM 634 CD LYS A 818 2.862 7.435 -6.470 1.00 0.00 C ATOM 635 CE LYS A 818 3.505 8.719 -6.973 1.00 0.00 C ATOM 636 NZ LYS A 818 4.901 8.871 -6.479 1.00 0.00 N ATOM 0 H LYS A 818 -0.940 8.962 -3.813 1.00 0.00 H new ATOM 0 HA LYS A 818 1.018 7.137 -2.760 1.00 0.00 H new ATOM 0 HB2 LYS A 818 0.463 7.487 -5.199 1.00 0.00 H new ATOM 0 HB3 LYS A 818 1.167 9.089 -5.092 1.00 0.00 H new ATOM 0 HG2 LYS A 818 3.356 8.103 -4.492 1.00 0.00 H new ATOM 0 HG3 LYS A 818 2.661 6.496 -4.552 1.00 0.00 H new ATOM 0 HD2 LYS A 818 3.515 6.590 -6.688 1.00 0.00 H new ATOM 0 HD3 LYS A 818 1.928 7.261 -7.004 1.00 0.00 H new ATOM 0 HE2 LYS A 818 3.503 8.723 -8.063 1.00 0.00 H new ATOM 0 HE3 LYS A 818 2.910 9.574 -6.650 1.00 0.00 H new ATOM 0 HZ1 LYS A 818 5.417 9.531 -7.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 818 4.887 9.243 -5.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 818 5.375 7.945 -6.488 1.00 0.00 H new ATOM 650 N ASP A 819 1.513 10.389 -2.578 1.00 0.00 N ATOM 651 CA ASP A 819 2.327 11.418 -1.941 1.00 0.00 C ATOM 652 C ASP A 819 2.152 11.388 -0.426 1.00 0.00 C ATOM 653 O ASP A 819 2.932 11.991 0.312 1.00 0.00 O ATOM 654 CB ASP A 819 1.955 12.800 -2.482 1.00 0.00 C ATOM 655 CG ASP A 819 3.048 13.825 -2.253 1.00 0.00 C ATOM 656 OD1 ASP A 819 4.205 13.557 -2.641 1.00 0.00 O ATOM 657 OD2 ASP A 819 2.748 14.895 -1.685 1.00 0.00 O ATOM 0 H ASP A 819 0.708 10.746 -3.093 1.00 0.00 H new ATOM 0 HA ASP A 819 3.373 11.215 -2.173 1.00 0.00 H new ATOM 0 HB2 ASP A 819 1.749 12.725 -3.550 1.00 0.00 H new ATOM 0 HB3 ASP A 819 1.037 13.139 -2.003 1.00 0.00 H new ATOM 662 N LYS A 820 1.123 10.683 0.032 1.00 0.00 N ATOM 663 CA LYS A 820 0.845 10.574 1.459 1.00 0.00 C ATOM 664 C LYS A 820 1.355 9.247 2.013 1.00 0.00 C ATOM 665 O LYS A 820 1.825 9.175 3.148 1.00 0.00 O ATOM 666 CB LYS A 820 -0.657 10.703 1.719 1.00 0.00 C ATOM 667 CG LYS A 820 -1.046 10.476 3.169 1.00 0.00 C ATOM 668 CD LYS A 820 -0.789 11.712 4.015 1.00 0.00 C ATOM 669 CE LYS A 820 -1.629 11.705 5.283 1.00 0.00 C ATOM 670 NZ LYS A 820 -1.351 10.510 6.126 1.00 0.00 N ATOM 0 H LYS A 820 0.468 10.178 -0.565 1.00 0.00 H new ATOM 0 HA LYS A 820 1.366 11.385 1.968 1.00 0.00 H new ATOM 0 HB2 LYS A 820 -0.986 11.697 1.415 1.00 0.00 H new ATOM 0 HB3 LYS A 820 -1.188 9.986 1.093 1.00 0.00 H new ATOM 0 HG2 LYS A 820 -2.101 10.208 3.226 1.00 0.00 H new ATOM 0 HG3 LYS A 820 -0.481 9.635 3.571 1.00 0.00 H new ATOM 0 HD2 LYS A 820 0.268 11.761 4.278 1.00 0.00 H new ATOM 0 HD3 LYS A 820 -1.014 12.606 3.433 1.00 0.00 H new ATOM 0 HE2 LYS A 820 -1.427 12.609 5.857 1.00 0.00 H new ATOM 0 HE3 LYS A 820 -2.686 11.725 5.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 820 -1.825 10.616 7.046 1.00 0.00 H new ATOM 0 HZ2 LYS A 820 -1.708 9.658 5.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 820 -0.325 10.420 6.273 1.00 0.00 H new ATOM 684 N VAL A 821 1.260 8.197 1.202 1.00 0.00 N ATOM 685 CA VAL A 821 1.714 6.873 1.610 1.00 0.00 C ATOM 686 C VAL A 821 3.224 6.736 1.451 1.00 0.00 C ATOM 687 O VAL A 821 3.869 5.985 2.181 1.00 0.00 O ATOM 688 CB VAL A 821 1.021 5.766 0.793 1.00 0.00 C ATOM 689 CG1 VAL A 821 -0.469 5.729 1.100 1.00 0.00 C ATOM 690 CG2 VAL A 821 1.262 5.971 -0.694 1.00 0.00 C ATOM 0 H VAL A 821 0.873 8.238 0.259 1.00 0.00 H new ATOM 0 HA VAL A 821 1.450 6.758 2.661 1.00 0.00 H new ATOM 0 HB VAL A 821 1.450 4.806 1.078 1.00 0.00 H new ATOM 0 HG11 VAL A 821 -0.942 4.941 0.514 1.00 0.00 H new ATOM 0 HG12 VAL A 821 -0.617 5.530 2.161 1.00 0.00 H new ATOM 0 HG13 VAL A 821 -0.917 6.689 0.845 1.00 0.00 H new ATOM 0 HG21 VAL A 821 0.765 5.180 -1.256 1.00 0.00 H new ATOM 0 HG22 VAL A 821 0.861 6.938 -0.998 1.00 0.00 H new ATOM 0 HG23 VAL A 821 2.333 5.942 -0.896 1.00 0.00 H new ATOM 700 N GLU A 822 3.781 7.469 0.491 1.00 0.00 N ATOM 701 CA GLU A 822 5.216 7.429 0.236 1.00 0.00 C ATOM 702 C GLU A 822 6.004 7.589 1.533 1.00 0.00 C ATOM 703 O GLU A 822 7.059 6.981 1.711 1.00 0.00 O ATOM 704 CB GLU A 822 5.612 8.527 -0.753 1.00 0.00 C ATOM 705 CG GLU A 822 5.187 9.920 -0.318 1.00 0.00 C ATOM 706 CD GLU A 822 5.825 11.012 -1.155 1.00 0.00 C ATOM 707 OE1 GLU A 822 5.592 11.031 -2.382 1.00 0.00 O ATOM 708 OE2 GLU A 822 6.557 11.847 -0.583 1.00 0.00 O ATOM 0 H GLU A 822 3.261 8.097 -0.122 1.00 0.00 H new ATOM 0 HA GLU A 822 5.455 6.457 -0.196 1.00 0.00 H new ATOM 0 HB2 GLU A 822 6.694 8.511 -0.886 1.00 0.00 H new ATOM 0 HB3 GLU A 822 5.168 8.307 -1.724 1.00 0.00 H new ATOM 0 HG2 GLU A 822 4.102 10.003 -0.385 1.00 0.00 H new ATOM 0 HG3 GLU A 822 5.453 10.067 0.729 1.00 0.00 H new ATOM 715 N SER A 823 5.483 8.414 2.437 1.00 0.00 N ATOM 716 CA SER A 823 6.139 8.659 3.716 1.00 0.00 C ATOM 717 C SER A 823 6.417 7.347 4.444 1.00 0.00 C ATOM 718 O SER A 823 7.383 7.236 5.198 1.00 0.00 O ATOM 719 CB SER A 823 5.273 9.567 4.591 1.00 0.00 C ATOM 720 OG SER A 823 6.014 10.078 5.686 1.00 0.00 O ATOM 0 H SER A 823 4.609 8.923 2.307 1.00 0.00 H new ATOM 0 HA SER A 823 7.090 9.154 3.520 1.00 0.00 H new ATOM 0 HB2 SER A 823 4.886 10.392 3.993 1.00 0.00 H new ATOM 0 HB3 SER A 823 4.412 9.009 4.959 1.00 0.00 H new ATOM 0 HG SER A 823 5.439 10.656 6.229 1.00 0.00 H new ATOM 726 N ASP A 824 5.562 6.357 4.213 1.00 0.00 N ATOM 727 CA ASP A 824 5.714 5.052 4.845 1.00 0.00 C ATOM 728 C ASP A 824 6.634 4.154 4.023 1.00 0.00 C ATOM 729 O ASP A 824 6.588 4.138 2.793 1.00 0.00 O ATOM 730 CB ASP A 824 4.350 4.383 5.019 1.00 0.00 C ATOM 731 CG ASP A 824 4.370 3.291 6.070 1.00 0.00 C ATOM 732 OD1 ASP A 824 4.789 2.160 5.744 1.00 0.00 O ATOM 733 OD2 ASP A 824 3.969 3.567 7.220 1.00 0.00 O ATOM 0 H ASP A 824 4.756 6.434 3.592 1.00 0.00 H new ATOM 0 HA ASP A 824 6.164 5.202 5.827 1.00 0.00 H new ATOM 0 HB2 ASP A 824 3.612 5.136 5.296 1.00 0.00 H new ATOM 0 HB3 ASP A 824 4.032 3.960 4.066 1.00 0.00 H new ATOM 738 N PRO A 825 7.490 3.389 4.717 1.00 0.00 N ATOM 739 CA PRO A 825 8.437 2.475 4.071 1.00 0.00 C ATOM 740 C PRO A 825 7.742 1.282 3.425 1.00 0.00 C ATOM 741 O PRO A 825 8.240 0.713 2.453 1.00 0.00 O ATOM 742 CB PRO A 825 9.328 2.013 5.227 1.00 0.00 C ATOM 743 CG PRO A 825 8.482 2.168 6.443 1.00 0.00 C ATOM 744 CD PRO A 825 7.599 3.358 6.185 1.00 0.00 C ATOM 0 HA PRO A 825 8.983 2.959 3.261 1.00 0.00 H new ATOM 0 HB2 PRO A 825 9.644 0.978 5.094 1.00 0.00 H new ATOM 0 HB3 PRO A 825 10.233 2.617 5.295 1.00 0.00 H new ATOM 0 HG2 PRO A 825 7.887 1.272 6.621 1.00 0.00 H new ATOM 0 HG3 PRO A 825 9.097 2.324 7.329 1.00 0.00 H new ATOM 0 HD2 PRO A 825 6.624 3.245 6.658 1.00 0.00 H new ATOM 0 HD3 PRO A 825 8.038 4.276 6.575 1.00 0.00 H new ATOM 752 N ARG A 826 6.589 0.908 3.970 1.00 0.00 N ATOM 753 CA ARG A 826 5.826 -0.219 3.447 1.00 0.00 C ATOM 754 C ARG A 826 5.473 -0.001 1.979 1.00 0.00 C ATOM 755 O ARG A 826 5.472 -0.941 1.183 1.00 0.00 O ATOM 756 CB ARG A 826 4.550 -0.422 4.265 1.00 0.00 C ATOM 757 CG ARG A 826 4.800 -0.987 5.654 1.00 0.00 C ATOM 758 CD ARG A 826 3.510 -1.098 6.451 1.00 0.00 C ATOM 759 NE ARG A 826 3.027 0.207 6.895 1.00 0.00 N ATOM 760 CZ ARG A 826 1.791 0.424 7.331 1.00 0.00 C ATOM 761 NH1 ARG A 826 0.919 -0.573 7.383 1.00 0.00 N ATOM 762 NH2 ARG A 826 1.427 1.640 7.718 1.00 0.00 N ATOM 0 H ARG A 826 6.163 1.369 4.774 1.00 0.00 H new ATOM 0 HA ARG A 826 6.445 -1.113 3.525 1.00 0.00 H new ATOM 0 HB2 ARG A 826 4.033 0.533 4.358 1.00 0.00 H new ATOM 0 HB3 ARG A 826 3.884 -1.094 3.723 1.00 0.00 H new ATOM 0 HG2 ARG A 826 5.263 -1.970 5.570 1.00 0.00 H new ATOM 0 HG3 ARG A 826 5.504 -0.348 6.187 1.00 0.00 H new ATOM 0 HD2 ARG A 826 2.746 -1.578 5.839 1.00 0.00 H new ATOM 0 HD3 ARG A 826 3.673 -1.738 7.318 1.00 0.00 H new ATOM 0 HE ARG A 826 3.674 0.995 6.869 1.00 0.00 H new ATOM 0 HH11 ARG A 826 1.196 -1.509 7.088 1.00 0.00 H new ATOM 0 HH12 ARG A 826 -0.029 -0.404 7.718 1.00 0.00 H new ATOM 0 HH21 ARG A 826 2.096 2.409 7.681 1.00 0.00 H new ATOM 0 HH22 ARG A 826 0.478 1.806 8.053 1.00 0.00 H new ATOM 776 N TYR A 827 5.172 1.244 1.627 1.00 0.00 N ATOM 777 CA TYR A 827 4.813 1.586 0.255 1.00 0.00 C ATOM 778 C TYR A 827 5.957 1.266 -0.702 1.00 0.00 C ATOM 779 O TYR A 827 5.734 0.906 -1.858 1.00 0.00 O ATOM 780 CB TYR A 827 4.448 3.068 0.155 1.00 0.00 C ATOM 781 CG TYR A 827 4.509 3.612 -1.254 1.00 0.00 C ATOM 782 CD1 TYR A 827 5.703 4.084 -1.787 1.00 0.00 C ATOM 783 CD2 TYR A 827 3.373 3.655 -2.053 1.00 0.00 C ATOM 784 CE1 TYR A 827 5.763 4.583 -3.073 1.00 0.00 C ATOM 785 CE2 TYR A 827 3.424 4.151 -3.341 1.00 0.00 C ATOM 786 CZ TYR A 827 4.621 4.614 -3.847 1.00 0.00 C ATOM 787 OH TYR A 827 4.677 5.110 -5.129 1.00 0.00 O ATOM 0 H TYR A 827 5.169 2.034 2.273 1.00 0.00 H new ATOM 0 HA TYR A 827 3.948 0.987 -0.028 1.00 0.00 H new ATOM 0 HB2 TYR A 827 3.442 3.213 0.548 1.00 0.00 H new ATOM 0 HB3 TYR A 827 5.124 3.644 0.787 1.00 0.00 H new ATOM 0 HD1 TYR A 827 6.599 4.060 -1.185 1.00 0.00 H new ATOM 0 HD2 TYR A 827 2.434 3.294 -1.660 1.00 0.00 H new ATOM 0 HE1 TYR A 827 6.699 4.947 -3.471 1.00 0.00 H new ATOM 0 HE2 TYR A 827 2.532 4.176 -3.949 1.00 0.00 H new ATOM 0 HH TYR A 827 5.612 5.171 -5.415 1.00 0.00 H new ATOM 797 N LYS A 828 7.185 1.400 -0.212 1.00 0.00 N ATOM 798 CA LYS A 828 8.366 1.125 -1.021 1.00 0.00 C ATOM 799 C LYS A 828 8.479 -0.365 -1.330 1.00 0.00 C ATOM 800 O LYS A 828 9.121 -0.759 -2.304 1.00 0.00 O ATOM 801 CB LYS A 828 9.628 1.603 -0.298 1.00 0.00 C ATOM 802 CG LYS A 828 9.810 3.111 -0.326 1.00 0.00 C ATOM 803 CD LYS A 828 10.672 3.590 0.830 1.00 0.00 C ATOM 804 CE LYS A 828 11.433 4.857 0.469 1.00 0.00 C ATOM 805 NZ LYS A 828 11.902 5.586 1.680 1.00 0.00 N ATOM 0 H LYS A 828 7.388 1.698 0.742 1.00 0.00 H new ATOM 0 HA LYS A 828 8.265 1.667 -1.961 1.00 0.00 H new ATOM 0 HB2 LYS A 828 9.591 1.269 0.739 1.00 0.00 H new ATOM 0 HB3 LYS A 828 10.499 1.132 -0.754 1.00 0.00 H new ATOM 0 HG2 LYS A 828 10.269 3.406 -1.270 1.00 0.00 H new ATOM 0 HG3 LYS A 828 8.835 3.597 -0.280 1.00 0.00 H new ATOM 0 HD2 LYS A 828 10.044 3.777 1.701 1.00 0.00 H new ATOM 0 HD3 LYS A 828 11.378 2.807 1.108 1.00 0.00 H new ATOM 0 HE2 LYS A 828 12.289 4.601 -0.155 1.00 0.00 H new ATOM 0 HE3 LYS A 828 10.791 5.510 -0.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 828 12.416 6.443 1.392 1.00 0.00 H new ATOM 0 HZ2 LYS A 828 11.083 5.853 2.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 828 12.535 4.972 2.232 1.00 0.00 H new ATOM 819 N ALA A 829 7.851 -1.187 -0.496 1.00 0.00 N ATOM 820 CA ALA A 829 7.878 -2.632 -0.683 1.00 0.00 C ATOM 821 C ALA A 829 7.487 -3.009 -2.108 1.00 0.00 C ATOM 822 O ALA A 829 8.185 -3.775 -2.772 1.00 0.00 O ATOM 823 CB ALA A 829 6.953 -3.311 0.317 1.00 0.00 C ATOM 0 H ALA A 829 7.317 -0.877 0.316 1.00 0.00 H new ATOM 0 HA ALA A 829 8.898 -2.977 -0.511 1.00 0.00 H new ATOM 0 HB1 ALA A 829 6.983 -4.390 0.166 1.00 0.00 H new ATOM 0 HB2 ALA A 829 7.279 -3.077 1.331 1.00 0.00 H new ATOM 0 HB3 ALA A 829 5.934 -2.953 0.172 1.00 0.00 H new ATOM 829 N VAL A 830 6.366 -2.466 -2.573 1.00 0.00 N ATOM 830 CA VAL A 830 5.883 -2.745 -3.920 1.00 0.00 C ATOM 831 C VAL A 830 6.733 -2.034 -4.967 1.00 0.00 C ATOM 832 O VAL A 830 6.515 -0.860 -5.266 1.00 0.00 O ATOM 833 CB VAL A 830 4.413 -2.314 -4.089 1.00 0.00 C ATOM 834 CG1 VAL A 830 3.903 -2.688 -5.472 1.00 0.00 C ATOM 835 CG2 VAL A 830 3.548 -2.938 -3.005 1.00 0.00 C ATOM 0 H VAL A 830 5.776 -1.830 -2.037 1.00 0.00 H new ATOM 0 HA VAL A 830 5.958 -3.823 -4.067 1.00 0.00 H new ATOM 0 HB VAL A 830 4.355 -1.230 -3.988 1.00 0.00 H new ATOM 0 HG11 VAL A 830 2.864 -2.376 -5.573 1.00 0.00 H new ATOM 0 HG12 VAL A 830 4.507 -2.189 -6.230 1.00 0.00 H new ATOM 0 HG13 VAL A 830 3.972 -3.768 -5.606 1.00 0.00 H new ATOM 0 HG21 VAL A 830 2.513 -2.623 -3.139 1.00 0.00 H new ATOM 0 HG22 VAL A 830 3.608 -4.024 -3.072 1.00 0.00 H new ATOM 0 HG23 VAL A 830 3.902 -2.614 -2.026 1.00 0.00 H new ATOM 845 N ASP A 831 7.702 -2.754 -5.522 1.00 0.00 N ATOM 846 CA ASP A 831 8.585 -2.194 -6.538 1.00 0.00 C ATOM 847 C ASP A 831 7.839 -1.989 -7.853 1.00 0.00 C ATOM 848 O ASP A 831 8.033 -0.985 -8.538 1.00 0.00 O ATOM 849 CB ASP A 831 9.790 -3.110 -6.758 1.00 0.00 C ATOM 850 CG ASP A 831 10.601 -2.717 -7.977 1.00 0.00 C ATOM 851 OD1 ASP A 831 10.254 -3.165 -9.090 1.00 0.00 O ATOM 852 OD2 ASP A 831 11.582 -1.960 -7.818 1.00 0.00 O ATOM 0 H ASP A 831 7.896 -3.727 -5.285 1.00 0.00 H new ATOM 0 HA ASP A 831 8.936 -1.224 -6.185 1.00 0.00 H new ATOM 0 HB2 ASP A 831 10.429 -3.083 -5.876 1.00 0.00 H new ATOM 0 HB3 ASP A 831 9.446 -4.138 -6.870 1.00 0.00 H new ATOM 857 N SER A 832 6.987 -2.949 -8.199 1.00 0.00 N ATOM 858 CA SER A 832 6.216 -2.876 -9.435 1.00 0.00 C ATOM 859 C SER A 832 5.141 -1.797 -9.342 1.00 0.00 C ATOM 860 O SER A 832 4.256 -1.859 -8.488 1.00 0.00 O ATOM 861 CB SER A 832 5.571 -4.230 -9.738 1.00 0.00 C ATOM 862 OG SER A 832 4.865 -4.195 -10.967 1.00 0.00 O ATOM 0 H SER A 832 6.813 -3.785 -7.642 1.00 0.00 H new ATOM 0 HA SER A 832 6.897 -2.616 -10.245 1.00 0.00 H new ATOM 0 HB2 SER A 832 6.340 -5.002 -9.778 1.00 0.00 H new ATOM 0 HB3 SER A 832 4.890 -4.501 -8.931 1.00 0.00 H new ATOM 0 HG SER A 832 4.464 -5.072 -11.139 1.00 0.00 H new ATOM 868 N SER A 833 5.225 -0.810 -10.227 1.00 0.00 N ATOM 869 CA SER A 833 4.262 0.286 -10.244 1.00 0.00 C ATOM 870 C SER A 833 2.868 -0.221 -10.601 1.00 0.00 C ATOM 871 O SER A 833 1.879 0.159 -9.975 1.00 0.00 O ATOM 872 CB SER A 833 4.698 1.360 -11.242 1.00 0.00 C ATOM 873 OG SER A 833 5.584 2.287 -10.639 1.00 0.00 O ATOM 0 H SER A 833 5.950 -0.746 -10.942 1.00 0.00 H new ATOM 0 HA SER A 833 4.226 0.721 -9.245 1.00 0.00 H new ATOM 0 HB2 SER A 833 5.185 0.890 -12.097 1.00 0.00 H new ATOM 0 HB3 SER A 833 3.822 1.885 -11.623 1.00 0.00 H new ATOM 0 HG SER A 833 5.849 2.962 -11.298 1.00 0.00 H new ATOM 879 N SER A 834 2.800 -1.081 -11.612 1.00 0.00 N ATOM 880 CA SER A 834 1.527 -1.638 -12.056 1.00 0.00 C ATOM 881 C SER A 834 0.719 -2.160 -10.872 1.00 0.00 C ATOM 882 O SER A 834 -0.495 -1.971 -10.803 1.00 0.00 O ATOM 883 CB SER A 834 1.764 -2.765 -13.063 1.00 0.00 C ATOM 884 OG SER A 834 2.135 -2.248 -14.330 1.00 0.00 O ATOM 0 H SER A 834 3.610 -1.407 -12.139 1.00 0.00 H new ATOM 0 HA SER A 834 0.959 -0.842 -12.538 1.00 0.00 H new ATOM 0 HB2 SER A 834 2.547 -3.428 -12.694 1.00 0.00 H new ATOM 0 HB3 SER A 834 0.859 -3.364 -13.162 1.00 0.00 H new ATOM 0 HG SER A 834 2.282 -2.988 -14.955 1.00 0.00 H new ATOM 890 N MET A 835 1.403 -2.818 -9.942 1.00 0.00 N ATOM 891 CA MET A 835 0.750 -3.367 -8.759 1.00 0.00 C ATOM 892 C MET A 835 0.113 -2.259 -7.926 1.00 0.00 C ATOM 893 O MET A 835 -0.997 -2.413 -7.416 1.00 0.00 O ATOM 894 CB MET A 835 1.756 -4.145 -7.909 1.00 0.00 C ATOM 895 CG MET A 835 2.441 -5.275 -8.661 1.00 0.00 C ATOM 896 SD MET A 835 1.400 -6.738 -8.816 1.00 0.00 S ATOM 897 CE MET A 835 1.310 -7.273 -7.109 1.00 0.00 C ATOM 0 H MET A 835 2.409 -2.984 -9.984 1.00 0.00 H new ATOM 0 HA MET A 835 -0.036 -4.046 -9.091 1.00 0.00 H new ATOM 0 HB2 MET A 835 2.514 -3.456 -7.536 1.00 0.00 H new ATOM 0 HB3 MET A 835 1.243 -4.556 -7.039 1.00 0.00 H new ATOM 0 HG2 MET A 835 2.722 -4.927 -9.655 1.00 0.00 H new ATOM 0 HG3 MET A 835 3.363 -5.543 -8.145 1.00 0.00 H new ATOM 0 HE1 MET A 835 1.427 -8.356 -7.060 1.00 0.00 H new ATOM 0 HE2 MET A 835 2.105 -6.796 -6.536 1.00 0.00 H new ATOM 0 HE3 MET A 835 0.343 -6.994 -6.691 1.00 0.00 H new ATOM 907 N ARG A 836 0.823 -1.143 -7.792 1.00 0.00 N ATOM 908 CA ARG A 836 0.327 -0.011 -7.020 1.00 0.00 C ATOM 909 C ARG A 836 -0.986 0.508 -7.598 1.00 0.00 C ATOM 910 O ARG A 836 -2.002 0.562 -6.905 1.00 0.00 O ATOM 911 CB ARG A 836 1.366 1.112 -6.997 1.00 0.00 C ATOM 912 CG ARG A 836 2.712 0.685 -6.437 1.00 0.00 C ATOM 913 CD ARG A 836 3.771 1.754 -6.656 1.00 0.00 C ATOM 914 NE ARG A 836 5.120 1.243 -6.428 1.00 0.00 N ATOM 915 CZ ARG A 836 6.222 1.948 -6.660 1.00 0.00 C ATOM 916 NH1 ARG A 836 6.135 3.187 -7.123 1.00 0.00 N ATOM 917 NH2 ARG A 836 7.414 1.414 -6.428 1.00 0.00 N ATOM 0 H ARG A 836 1.743 -0.999 -8.208 1.00 0.00 H new ATOM 0 HA ARG A 836 0.146 -0.350 -6.000 1.00 0.00 H new ATOM 0 HB2 ARG A 836 1.506 1.486 -8.011 1.00 0.00 H new ATOM 0 HB3 ARG A 836 0.981 1.940 -6.402 1.00 0.00 H new ATOM 0 HG2 ARG A 836 2.615 0.480 -5.371 1.00 0.00 H new ATOM 0 HG3 ARG A 836 3.027 -0.244 -6.913 1.00 0.00 H new ATOM 0 HD2 ARG A 836 3.695 2.136 -7.674 1.00 0.00 H new ATOM 0 HD3 ARG A 836 3.583 2.593 -5.986 1.00 0.00 H new ATOM 0 HE ARG A 836 5.222 0.293 -6.071 1.00 0.00 H new ATOM 0 HH11 ARG A 836 5.220 3.601 -7.302 1.00 0.00 H new ATOM 0 HH12 ARG A 836 6.983 3.726 -7.300 1.00 0.00 H new ATOM 0 HH21 ARG A 836 7.485 0.461 -6.071 1.00 0.00 H new ATOM 0 HH22 ARG A 836 8.259 1.956 -6.607 1.00 0.00 H new ATOM 931 N GLU A 837 -0.957 0.889 -8.871 1.00 0.00 N ATOM 932 CA GLU A 837 -2.145 1.405 -9.541 1.00 0.00 C ATOM 933 C GLU A 837 -3.250 0.353 -9.576 1.00 0.00 C ATOM 934 O GLU A 837 -4.401 0.634 -9.240 1.00 0.00 O ATOM 935 CB GLU A 837 -1.803 1.849 -10.965 1.00 0.00 C ATOM 936 CG GLU A 837 -1.348 3.296 -11.058 1.00 0.00 C ATOM 937 CD GLU A 837 -0.687 3.615 -12.386 1.00 0.00 C ATOM 938 OE1 GLU A 837 0.529 3.363 -12.518 1.00 0.00 O ATOM 939 OE2 GLU A 837 -1.386 4.115 -13.292 1.00 0.00 O ATOM 0 H GLU A 837 -0.124 0.850 -9.459 1.00 0.00 H new ATOM 0 HA GLU A 837 -2.504 2.266 -8.976 1.00 0.00 H new ATOM 0 HB2 GLU A 837 -1.018 1.204 -11.359 1.00 0.00 H new ATOM 0 HB3 GLU A 837 -2.678 1.710 -11.600 1.00 0.00 H new ATOM 0 HG2 GLU A 837 -2.206 3.953 -10.916 1.00 0.00 H new ATOM 0 HG3 GLU A 837 -0.649 3.506 -10.249 1.00 0.00 H new ATOM 946 N ASP A 838 -2.892 -0.859 -9.985 1.00 0.00 N ATOM 947 CA ASP A 838 -3.851 -1.954 -10.064 1.00 0.00 C ATOM 948 C ASP A 838 -4.492 -2.214 -8.704 1.00 0.00 C ATOM 949 O ASP A 838 -5.693 -2.014 -8.523 1.00 0.00 O ATOM 950 CB ASP A 838 -3.167 -3.224 -10.572 1.00 0.00 C ATOM 951 CG ASP A 838 -4.139 -4.178 -11.238 1.00 0.00 C ATOM 952 OD1 ASP A 838 -4.579 -3.883 -12.368 1.00 0.00 O ATOM 953 OD2 ASP A 838 -4.460 -5.220 -10.628 1.00 0.00 O ATOM 0 H ASP A 838 -1.944 -1.108 -10.267 1.00 0.00 H new ATOM 0 HA ASP A 838 -4.635 -1.668 -10.766 1.00 0.00 H new ATOM 0 HB2 ASP A 838 -2.385 -2.953 -11.281 1.00 0.00 H new ATOM 0 HB3 ASP A 838 -2.680 -3.729 -9.738 1.00 0.00 H new ATOM 958 N LEU A 839 -3.682 -2.663 -7.752 1.00 0.00 N ATOM 959 CA LEU A 839 -4.169 -2.953 -6.407 1.00 0.00 C ATOM 960 C LEU A 839 -5.004 -1.795 -5.869 1.00 0.00 C ATOM 961 O LEU A 839 -6.180 -1.962 -5.545 1.00 0.00 O ATOM 962 CB LEU A 839 -2.995 -3.230 -5.467 1.00 0.00 C ATOM 963 CG LEU A 839 -2.296 -4.578 -5.646 1.00 0.00 C ATOM 964 CD1 LEU A 839 -0.971 -4.595 -4.900 1.00 0.00 C ATOM 965 CD2 LEU A 839 -3.192 -5.712 -5.171 1.00 0.00 C ATOM 0 H LEU A 839 -2.685 -2.834 -7.886 1.00 0.00 H new ATOM 0 HA LEU A 839 -4.801 -3.839 -6.459 1.00 0.00 H new ATOM 0 HB2 LEU A 839 -2.256 -2.440 -5.598 1.00 0.00 H new ATOM 0 HB3 LEU A 839 -3.354 -3.163 -4.440 1.00 0.00 H new ATOM 0 HG LEU A 839 -2.094 -4.722 -6.707 1.00 0.00 H new ATOM 0 HD11 LEU A 839 -0.488 -5.562 -5.039 1.00 0.00 H new ATOM 0 HD12 LEU A 839 -0.325 -3.807 -5.288 1.00 0.00 H new ATOM 0 HD13 LEU A 839 -1.149 -4.428 -3.838 1.00 0.00 H new ATOM 0 HD21 LEU A 839 -2.677 -6.663 -5.306 1.00 0.00 H new ATOM 0 HD22 LEU A 839 -3.426 -5.573 -4.116 1.00 0.00 H new ATOM 0 HD23 LEU A 839 -4.115 -5.713 -5.750 1.00 0.00 H new ATOM 977 N PHE A 840 -4.389 -0.621 -5.779 1.00 0.00 N ATOM 978 CA PHE A 840 -5.075 0.566 -5.282 1.00 0.00 C ATOM 979 C PHE A 840 -6.438 0.726 -5.950 1.00 0.00 C ATOM 980 O PHE A 840 -7.466 0.807 -5.278 1.00 0.00 O ATOM 981 CB PHE A 840 -4.224 1.814 -5.528 1.00 0.00 C ATOM 982 CG PHE A 840 -4.877 3.085 -5.066 1.00 0.00 C ATOM 983 CD1 PHE A 840 -5.056 3.336 -3.715 1.00 0.00 C ATOM 984 CD2 PHE A 840 -5.313 4.028 -5.982 1.00 0.00 C ATOM 985 CE1 PHE A 840 -5.656 4.505 -3.286 1.00 0.00 C ATOM 986 CE2 PHE A 840 -5.913 5.199 -5.559 1.00 0.00 C ATOM 987 CZ PHE A 840 -6.086 5.437 -4.210 1.00 0.00 C ATOM 0 H PHE A 840 -3.416 -0.466 -6.044 1.00 0.00 H new ATOM 0 HA PHE A 840 -5.227 0.445 -4.210 1.00 0.00 H new ATOM 0 HB2 PHE A 840 -3.268 1.699 -5.016 1.00 0.00 H new ATOM 0 HB3 PHE A 840 -4.008 1.892 -6.593 1.00 0.00 H new ATOM 0 HD1 PHE A 840 -4.723 2.610 -2.989 1.00 0.00 H new ATOM 0 HD2 PHE A 840 -5.183 3.846 -7.039 1.00 0.00 H new ATOM 0 HE1 PHE A 840 -5.788 4.689 -2.230 1.00 0.00 H new ATOM 0 HE2 PHE A 840 -6.246 5.927 -6.283 1.00 0.00 H new ATOM 0 HZ PHE A 840 -6.557 6.350 -3.878 1.00 0.00 H new ATOM 997 N LYS A 841 -6.437 0.771 -7.278 1.00 0.00 N ATOM 998 CA LYS A 841 -7.672 0.921 -8.039 1.00 0.00 C ATOM 999 C LYS A 841 -8.687 -0.147 -7.645 1.00 0.00 C ATOM 1000 O LYS A 841 -9.841 0.162 -7.348 1.00 0.00 O ATOM 1001 CB LYS A 841 -7.383 0.835 -9.540 1.00 0.00 C ATOM 1002 CG LYS A 841 -6.551 1.992 -10.066 1.00 0.00 C ATOM 1003 CD LYS A 841 -5.772 1.598 -11.310 1.00 0.00 C ATOM 1004 CE LYS A 841 -6.632 1.692 -12.560 1.00 0.00 C ATOM 1005 NZ LYS A 841 -6.839 3.104 -12.986 1.00 0.00 N ATOM 0 H LYS A 841 -5.595 0.706 -7.850 1.00 0.00 H new ATOM 0 HA LYS A 841 -8.094 1.900 -7.811 1.00 0.00 H new ATOM 0 HB2 LYS A 841 -6.863 -0.100 -9.748 1.00 0.00 H new ATOM 0 HB3 LYS A 841 -8.328 0.802 -10.082 1.00 0.00 H new ATOM 0 HG2 LYS A 841 -7.203 2.835 -10.295 1.00 0.00 H new ATOM 0 HG3 LYS A 841 -5.859 2.325 -9.292 1.00 0.00 H new ATOM 0 HD2 LYS A 841 -4.902 2.246 -11.416 1.00 0.00 H new ATOM 0 HD3 LYS A 841 -5.399 0.580 -11.200 1.00 0.00 H new ATOM 0 HE2 LYS A 841 -6.160 1.134 -13.369 1.00 0.00 H new ATOM 0 HE3 LYS A 841 -7.598 1.224 -12.372 1.00 0.00 H new ATOM 0 HZ1 LYS A 841 -7.267 3.122 -13.934 1.00 0.00 H new ATOM 0 HZ2 LYS A 841 -7.471 3.581 -12.312 1.00 0.00 H new ATOM 0 HZ3 LYS A 841 -5.924 3.597 -13.010 1.00 0.00 H new ATOM 1019 N GLN A 842 -8.249 -1.402 -7.642 1.00 0.00 N ATOM 1020 CA GLN A 842 -9.121 -2.514 -7.282 1.00 0.00 C ATOM 1021 C GLN A 842 -9.869 -2.222 -5.986 1.00 0.00 C ATOM 1022 O GLN A 842 -11.100 -2.245 -5.949 1.00 0.00 O ATOM 1023 CB GLN A 842 -8.307 -3.801 -7.137 1.00 0.00 C ATOM 1024 CG GLN A 842 -8.054 -4.512 -8.456 1.00 0.00 C ATOM 1025 CD GLN A 842 -7.732 -5.983 -8.273 1.00 0.00 C ATOM 1026 OE1 GLN A 842 -8.602 -6.842 -8.414 1.00 0.00 O ATOM 1027 NE2 GLN A 842 -6.476 -6.279 -7.959 1.00 0.00 N ATOM 0 H GLN A 842 -7.296 -1.674 -7.885 1.00 0.00 H new ATOM 0 HA GLN A 842 -9.852 -2.643 -8.080 1.00 0.00 H new ATOM 0 HB2 GLN A 842 -7.350 -3.565 -6.671 1.00 0.00 H new ATOM 0 HB3 GLN A 842 -8.831 -4.479 -6.463 1.00 0.00 H new ATOM 0 HG2 GLN A 842 -8.933 -4.413 -9.093 1.00 0.00 H new ATOM 0 HG3 GLN A 842 -7.228 -4.025 -8.975 1.00 0.00 H new ATOM 0 HE21 GLN A 842 -5.788 -5.534 -7.852 1.00 0.00 H new ATOM 0 HE22 GLN A 842 -6.200 -7.252 -7.825 1.00 0.00 H new ATOM 1036 N TYR A 843 -9.119 -1.947 -4.925 1.00 0.00 N ATOM 1037 CA TYR A 843 -9.711 -1.654 -3.625 1.00 0.00 C ATOM 1038 C TYR A 843 -10.752 -0.544 -3.739 1.00 0.00 C ATOM 1039 O TYR A 843 -11.911 -0.724 -3.364 1.00 0.00 O ATOM 1040 CB TYR A 843 -8.625 -1.249 -2.626 1.00 0.00 C ATOM 1041 CG TYR A 843 -9.047 -1.396 -1.181 1.00 0.00 C ATOM 1042 CD1 TYR A 843 -9.807 -0.416 -0.556 1.00 0.00 C ATOM 1043 CD2 TYR A 843 -8.684 -2.515 -0.442 1.00 0.00 C ATOM 1044 CE1 TYR A 843 -10.193 -0.545 0.764 1.00 0.00 C ATOM 1045 CE2 TYR A 843 -9.068 -2.654 0.878 1.00 0.00 C ATOM 1046 CZ TYR A 843 -9.822 -1.666 1.476 1.00 0.00 C ATOM 1047 OH TYR A 843 -10.204 -1.800 2.791 1.00 0.00 O ATOM 0 H TYR A 843 -8.099 -1.921 -4.939 1.00 0.00 H new ATOM 0 HA TYR A 843 -10.206 -2.557 -3.267 1.00 0.00 H new ATOM 0 HB2 TYR A 843 -7.737 -1.857 -2.800 1.00 0.00 H new ATOM 0 HB3 TYR A 843 -8.342 -0.212 -2.810 1.00 0.00 H new ATOM 0 HD1 TYR A 843 -10.101 0.462 -1.112 1.00 0.00 H new ATOM 0 HD2 TYR A 843 -8.092 -3.289 -0.907 1.00 0.00 H new ATOM 0 HE1 TYR A 843 -10.782 0.228 1.236 1.00 0.00 H new ATOM 0 HE2 TYR A 843 -8.779 -3.531 1.438 1.00 0.00 H new ATOM 0 HH TYR A 843 -9.862 -2.647 3.146 1.00 0.00 H new ATOM 1057 N ILE A 844 -10.330 0.603 -4.260 1.00 0.00 N ATOM 1058 CA ILE A 844 -11.225 1.742 -4.425 1.00 0.00 C ATOM 1059 C ILE A 844 -12.498 1.338 -5.160 1.00 0.00 C ATOM 1060 O ILE A 844 -13.602 1.692 -4.749 1.00 0.00 O ATOM 1061 CB ILE A 844 -10.542 2.887 -5.196 1.00 0.00 C ATOM 1062 CG1 ILE A 844 -9.327 3.400 -4.420 1.00 0.00 C ATOM 1063 CG2 ILE A 844 -11.529 4.016 -5.451 1.00 0.00 C ATOM 1064 CD1 ILE A 844 -9.611 3.663 -2.958 1.00 0.00 C ATOM 0 H ILE A 844 -9.374 0.768 -4.575 1.00 0.00 H new ATOM 0 HA ILE A 844 -11.481 2.090 -3.424 1.00 0.00 H new ATOM 0 HB ILE A 844 -10.200 2.505 -6.158 1.00 0.00 H new ATOM 0 HG12 ILE A 844 -8.521 2.671 -4.500 1.00 0.00 H new ATOM 0 HG13 ILE A 844 -8.972 4.320 -4.884 1.00 0.00 H new ATOM 0 HG21 ILE A 844 -11.032 4.818 -5.997 1.00 0.00 H new ATOM 0 HG22 ILE A 844 -12.366 3.641 -6.040 1.00 0.00 H new ATOM 0 HG23 ILE A 844 -11.897 4.399 -4.499 1.00 0.00 H new ATOM 0 HD11 ILE A 844 -8.705 4.024 -2.471 1.00 0.00 H new ATOM 0 HD12 ILE A 844 -10.395 4.415 -2.869 1.00 0.00 H new ATOM 0 HD13 ILE A 844 -9.937 2.740 -2.479 1.00 0.00 H new ATOM 1076 N GLU A 845 -12.335 0.592 -6.249 1.00 0.00 N ATOM 1077 CA GLU A 845 -13.473 0.138 -7.040 1.00 0.00 C ATOM 1078 C GLU A 845 -14.508 -0.555 -6.159 1.00 0.00 C ATOM 1079 O GLU A 845 -15.707 -0.298 -6.269 1.00 0.00 O ATOM 1080 CB GLU A 845 -13.008 -0.813 -8.144 1.00 0.00 C ATOM 1081 CG GLU A 845 -12.385 -0.105 -9.336 1.00 0.00 C ATOM 1082 CD GLU A 845 -13.383 0.747 -10.095 1.00 0.00 C ATOM 1083 OE1 GLU A 845 -14.404 0.194 -10.556 1.00 0.00 O ATOM 1084 OE2 GLU A 845 -13.144 1.965 -10.229 1.00 0.00 O ATOM 0 H GLU A 845 -11.427 0.290 -6.603 1.00 0.00 H new ATOM 0 HA GLU A 845 -13.937 1.013 -7.495 1.00 0.00 H new ATOM 0 HB2 GLU A 845 -12.283 -1.512 -7.728 1.00 0.00 H new ATOM 0 HB3 GLU A 845 -13.859 -1.402 -8.486 1.00 0.00 H new ATOM 0 HG2 GLU A 845 -11.564 0.524 -8.992 1.00 0.00 H new ATOM 0 HG3 GLU A 845 -11.958 -0.846 -10.011 1.00 0.00 H new ATOM 1091 N LYS A 846 -14.035 -1.436 -5.284 1.00 0.00 N ATOM 1092 CA LYS A 846 -14.917 -2.168 -4.381 1.00 0.00 C ATOM 1093 C LYS A 846 -15.686 -1.210 -3.477 1.00 0.00 C ATOM 1094 O LYS A 846 -16.890 -1.368 -3.271 1.00 0.00 O ATOM 1095 CB LYS A 846 -14.109 -3.150 -3.531 1.00 0.00 C ATOM 1096 CG LYS A 846 -14.965 -4.178 -2.811 1.00 0.00 C ATOM 1097 CD LYS A 846 -14.132 -5.348 -2.315 1.00 0.00 C ATOM 1098 CE LYS A 846 -14.934 -6.252 -1.392 1.00 0.00 C ATOM 1099 NZ LYS A 846 -15.975 -7.018 -2.133 1.00 0.00 N ATOM 0 H LYS A 846 -13.045 -1.661 -5.181 1.00 0.00 H new ATOM 0 HA LYS A 846 -15.634 -2.724 -4.985 1.00 0.00 H new ATOM 0 HB2 LYS A 846 -13.394 -3.668 -4.170 1.00 0.00 H new ATOM 0 HB3 LYS A 846 -13.531 -2.591 -2.795 1.00 0.00 H new ATOM 0 HG2 LYS A 846 -15.470 -3.706 -1.968 1.00 0.00 H new ATOM 0 HG3 LYS A 846 -15.741 -4.542 -3.484 1.00 0.00 H new ATOM 0 HD2 LYS A 846 -13.770 -5.925 -3.166 1.00 0.00 H new ATOM 0 HD3 LYS A 846 -13.255 -4.974 -1.787 1.00 0.00 H new ATOM 0 HE2 LYS A 846 -14.261 -6.947 -0.889 1.00 0.00 H new ATOM 0 HE3 LYS A 846 -15.409 -5.650 -0.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 846 -16.500 -7.622 -1.469 1.00 0.00 H new ATOM 0 HZ2 LYS A 846 -16.632 -6.356 -2.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 846 -15.520 -7.612 -2.856 1.00 0.00 H new ATOM 1113 N ILE A 847 -14.985 -0.216 -2.943 1.00 0.00 N ATOM 1114 CA ILE A 847 -15.603 0.768 -2.063 1.00 0.00 C ATOM 1115 C ILE A 847 -16.728 1.512 -2.776 1.00 0.00 C ATOM 1116 O ILE A 847 -17.887 1.442 -2.369 1.00 0.00 O ATOM 1117 CB ILE A 847 -14.572 1.790 -1.549 1.00 0.00 C ATOM 1118 CG1 ILE A 847 -13.381 1.070 -0.915 1.00 0.00 C ATOM 1119 CG2 ILE A 847 -15.219 2.738 -0.549 1.00 0.00 C ATOM 1120 CD1 ILE A 847 -12.222 1.987 -0.593 1.00 0.00 C ATOM 0 H ILE A 847 -13.988 -0.071 -3.104 1.00 0.00 H new ATOM 0 HA ILE A 847 -16.013 0.220 -1.215 1.00 0.00 H new ATOM 0 HB ILE A 847 -14.210 2.376 -2.394 1.00 0.00 H new ATOM 0 HG12 ILE A 847 -13.710 0.578 0.000 1.00 0.00 H new ATOM 0 HG13 ILE A 847 -13.038 0.288 -1.592 1.00 0.00 H new ATOM 0 HG21 ILE A 847 -14.478 3.454 -0.195 1.00 0.00 H new ATOM 0 HG22 ILE A 847 -16.038 3.272 -1.031 1.00 0.00 H new ATOM 0 HG23 ILE A 847 -15.605 2.168 0.296 1.00 0.00 H new ATOM 0 HD11 ILE A 847 -11.413 1.408 -0.146 1.00 0.00 H new ATOM 0 HD12 ILE A 847 -11.867 2.460 -1.509 1.00 0.00 H new ATOM 0 HD13 ILE A 847 -12.549 2.755 0.108 1.00 0.00 H new ATOM 1132 N ALA A 848 -16.377 2.223 -3.842 1.00 0.00 N ATOM 1133 CA ALA A 848 -17.357 2.977 -4.614 1.00 0.00 C ATOM 1134 C ALA A 848 -18.665 2.204 -4.745 1.00 0.00 C ATOM 1135 O ALA A 848 -19.703 2.630 -4.238 1.00 0.00 O ATOM 1136 CB ALA A 848 -16.800 3.312 -5.990 1.00 0.00 C ATOM 0 H ALA A 848 -15.421 2.293 -4.191 1.00 0.00 H new ATOM 0 HA ALA A 848 -17.566 3.905 -4.082 1.00 0.00 H new ATOM 0 HB1 ALA A 848 -17.542 3.875 -6.556 1.00 0.00 H new ATOM 0 HB2 ALA A 848 -15.896 3.911 -5.881 1.00 0.00 H new ATOM 0 HB3 ALA A 848 -16.562 2.390 -6.521 1.00 0.00 H new