USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 435 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 908 GLN : amide:sc= 1.9 K(o=2.7,f=-0.094) USER MOD Set 1.2: A 912 ASN : amide:sc= 0.834 K(o=2.7,f=-2.1!) USER MOD Set 2.1: A 868 CYS SG : rot -153:sc= 2.52 USER MOD Set 2.2: A 871 CYS SG : rot 180:sc= 1.01 USER MOD Set 2.3: A 893 CYS SG : rot 74:sc= -2.51! USER MOD Set 2.4: A 904 CYS SG : rot -21:sc= 0.065 USER MOD Single : A 863 SER OG : rot 24:sc= 0.112 USER MOD Single : A 873 LYS NZ :NH3+ -176:sc= 1.42 (180deg=1.41) USER MOD Single : A 880 SER OG : rot 180:sc= 0 USER MOD Single : A 884 SER OG : rot 180:sc= 0 USER MOD Single : A 894 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 895 ASN : amide:sc= 2.02 K(o=2,f=0) USER MOD Single : A 896 ASN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 897 SER OG : rot 180:sc= 0 USER MOD Single : A 899 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 905 SER OG : rot 180:sc= 0 USER MOD Single : A 906 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 907 SER OG : rot 180:sc= 0.29 USER MOD Single : A 910 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 911 SER OG : rot 180:sc=0.000649 USER MOD Single : A 916 ASN : amide:sc= -0.373 K(o=-0.37,f=-5.3!) USER MOD Single : B 5 GLN :FLIP amide:sc= 0.605 F(o=-0.028,f=0.6) USER MOD Single : B 6 THR OG1 : rot 46:sc= 0.281 USER MOD ----------------------------------------------------------------- ATOM 188 N SER A 863 -21.201 6.510 -13.563 1.00 0.00 N ATOM 189 CA SER A 863 -21.097 5.162 -12.969 1.00 0.00 C ATOM 190 C SER A 863 -20.002 4.274 -13.583 1.00 0.00 C ATOM 191 O SER A 863 -19.823 4.209 -14.804 1.00 0.00 O ATOM 192 CB SER A 863 -22.450 4.447 -13.044 1.00 0.00 C ATOM 193 OG SER A 863 -23.433 5.222 -12.372 1.00 0.00 O ATOM 0 HA SER A 863 -20.803 5.322 -11.932 1.00 0.00 H new ATOM 0 HB2 SER A 863 -22.738 4.298 -14.085 1.00 0.00 H new ATOM 0 HB3 SER A 863 -22.377 3.459 -12.589 1.00 0.00 H new ATOM 0 HG SER A 863 -23.155 6.162 -12.357 1.00 0.00 H new ATOM 199 N ALA A 864 -19.263 3.592 -12.709 1.00 0.00 N ATOM 200 CA ALA A 864 -17.952 3.010 -12.977 1.00 0.00 C ATOM 201 C ALA A 864 -17.922 1.488 -12.768 1.00 0.00 C ATOM 202 O ALA A 864 -18.925 0.874 -12.405 1.00 0.00 O ATOM 203 CB ALA A 864 -16.964 3.728 -12.048 1.00 0.00 C ATOM 0 H ALA A 864 -19.577 3.424 -11.753 1.00 0.00 H new ATOM 0 HA ALA A 864 -17.686 3.150 -14.025 1.00 0.00 H new ATOM 0 HB1 ALA A 864 -15.961 3.331 -12.206 1.00 0.00 H new ATOM 0 HB2 ALA A 864 -16.970 4.796 -12.266 1.00 0.00 H new ATOM 0 HB3 ALA A 864 -17.258 3.568 -11.011 1.00 0.00 H new ATOM 209 N TRP A 865 -16.756 0.876 -12.962 1.00 0.00 N ATOM 210 CA TRP A 865 -16.450 -0.452 -12.417 1.00 0.00 C ATOM 211 C TRP A 865 -15.544 -0.357 -11.179 1.00 0.00 C ATOM 212 O TRP A 865 -15.054 0.716 -10.820 1.00 0.00 O ATOM 213 CB TRP A 865 -15.858 -1.319 -13.535 1.00 0.00 C ATOM 214 CG TRP A 865 -16.825 -1.566 -14.655 1.00 0.00 C ATOM 215 CD1 TRP A 865 -17.140 -0.697 -15.641 1.00 0.00 C ATOM 216 CD2 TRP A 865 -17.698 -2.718 -14.849 1.00 0.00 C ATOM 217 NE1 TRP A 865 -18.166 -1.212 -16.412 1.00 0.00 N ATOM 218 CE2 TRP A 865 -18.523 -2.480 -15.987 1.00 0.00 C ATOM 219 CE3 TRP A 865 -17.868 -3.943 -14.171 1.00 0.00 C ATOM 220 CZ2 TRP A 865 -19.464 -3.425 -16.429 1.00 0.00 C ATOM 221 CZ3 TRP A 865 -18.794 -4.905 -14.616 1.00 0.00 C ATOM 222 CH2 TRP A 865 -19.590 -4.647 -15.746 1.00 0.00 C ATOM 0 H TRP A 865 -15.993 1.284 -13.502 1.00 0.00 H new ATOM 0 HA TRP A 865 -17.364 -0.930 -12.066 1.00 0.00 H new ATOM 0 HB2 TRP A 865 -14.967 -0.833 -13.932 1.00 0.00 H new ATOM 0 HB3 TRP A 865 -15.541 -2.275 -13.118 1.00 0.00 H new ATOM 0 HD1 TRP A 865 -16.662 0.258 -15.803 1.00 0.00 H new ATOM 0 HE1 TRP A 865 -18.603 -0.721 -17.192 1.00 0.00 H new ATOM 0 HE3 TRP A 865 -17.275 -4.147 -13.292 1.00 0.00 H new ATOM 0 HZ2 TRP A 865 -20.086 -3.214 -17.287 1.00 0.00 H new ATOM 0 HZ3 TRP A 865 -18.893 -5.842 -14.089 1.00 0.00 H new ATOM 0 HH2 TRP A 865 -20.298 -5.387 -16.089 1.00 0.00 H new ATOM 233 N VAL A 866 -15.327 -1.499 -10.526 1.00 0.00 N ATOM 234 CA VAL A 866 -14.270 -1.719 -9.526 1.00 0.00 C ATOM 235 C VAL A 866 -13.788 -3.172 -9.569 1.00 0.00 C ATOM 236 O VAL A 866 -14.577 -4.083 -9.836 1.00 0.00 O ATOM 237 CB VAL A 866 -14.715 -1.267 -8.123 1.00 0.00 C ATOM 238 CG1 VAL A 866 -15.904 -2.072 -7.599 1.00 0.00 C ATOM 239 CG2 VAL A 866 -13.579 -1.321 -7.098 1.00 0.00 C ATOM 0 H VAL A 866 -15.900 -2.328 -10.681 1.00 0.00 H new ATOM 0 HA VAL A 866 -13.414 -1.094 -9.778 1.00 0.00 H new ATOM 0 HB VAL A 866 -15.022 -0.228 -8.246 1.00 0.00 H new ATOM 0 HG11 VAL A 866 -16.177 -1.713 -6.607 1.00 0.00 H new ATOM 0 HG12 VAL A 866 -16.751 -1.952 -8.275 1.00 0.00 H new ATOM 0 HG13 VAL A 866 -15.633 -3.126 -7.541 1.00 0.00 H new ATOM 0 HG21 VAL A 866 -13.949 -0.992 -6.127 1.00 0.00 H new ATOM 0 HG22 VAL A 866 -13.209 -2.343 -7.018 1.00 0.00 H new ATOM 0 HG23 VAL A 866 -12.769 -0.666 -7.418 1.00 0.00 H new ATOM 249 N ARG A 867 -12.480 -3.374 -9.367 1.00 0.00 N ATOM 250 CA ARG A 867 -11.820 -4.689 -9.310 1.00 0.00 C ATOM 251 C ARG A 867 -11.769 -5.210 -7.878 1.00 0.00 C ATOM 252 O ARG A 867 -11.503 -4.439 -6.954 1.00 0.00 O ATOM 253 CB ARG A 867 -10.384 -4.577 -9.857 1.00 0.00 C ATOM 254 CG ARG A 867 -9.954 -5.775 -10.714 1.00 0.00 C ATOM 255 CD ARG A 867 -8.486 -5.676 -11.162 1.00 0.00 C ATOM 256 NE ARG A 867 -7.638 -6.568 -10.337 1.00 0.00 N ATOM 257 CZ ARG A 867 -6.649 -7.345 -10.736 1.00 0.00 C ATOM 258 NH1 ARG A 867 -6.088 -7.247 -11.905 1.00 0.00 N1+ ATOM 259 NH2 ARG A 867 -6.220 -8.282 -9.946 1.00 0.00 N ATOM 0 H ARG A 867 -11.828 -2.601 -9.234 1.00 0.00 H new ATOM 0 HA ARG A 867 -12.397 -5.385 -9.919 1.00 0.00 H new ATOM 0 HB2 ARG A 867 -10.302 -3.668 -10.452 1.00 0.00 H new ATOM 0 HB3 ARG A 867 -9.693 -4.474 -9.020 1.00 0.00 H new ATOM 0 HG2 ARG A 867 -10.097 -6.695 -10.147 1.00 0.00 H new ATOM 0 HG3 ARG A 867 -10.596 -5.839 -11.593 1.00 0.00 H new ATOM 0 HD2 ARG A 867 -8.400 -5.950 -12.213 1.00 0.00 H new ATOM 0 HD3 ARG A 867 -8.139 -4.647 -11.072 1.00 0.00 H new ATOM 0 HE ARG A 867 -7.844 -6.583 -9.338 1.00 0.00 H new ATOM 0 HH11 ARG A 867 -6.410 -6.541 -12.568 1.00 0.00 H new ATOM 0 HH12 ARG A 867 -5.326 -7.876 -12.159 1.00 0.00 H new ATOM 0 HH21 ARG A 867 -6.647 -8.411 -9.029 1.00 0.00 H new ATOM 0 HH22 ARG A 867 -5.456 -8.889 -10.243 1.00 0.00 H new ATOM 273 N CYS A 868 -11.906 -6.519 -7.709 1.00 0.00 N ATOM 274 CA CYS A 868 -11.518 -7.198 -6.489 1.00 0.00 C ATOM 275 C CYS A 868 -9.979 -7.245 -6.345 1.00 0.00 C ATOM 276 O CYS A 868 -9.268 -7.727 -7.234 1.00 0.00 O ATOM 277 CB CYS A 868 -12.171 -8.577 -6.510 1.00 0.00 C ATOM 278 SG CYS A 868 -11.787 -9.512 -4.995 1.00 0.00 S ATOM 0 H CYS A 868 -12.292 -7.139 -8.421 1.00 0.00 H new ATOM 0 HA CYS A 868 -11.864 -6.659 -5.607 1.00 0.00 H new ATOM 0 HB2 CYS A 868 -13.251 -8.469 -6.610 1.00 0.00 H new ATOM 0 HB3 CYS A 868 -11.824 -9.133 -7.381 1.00 0.00 H new ATOM 0 HG CYS A 868 -11.843 -10.786 -5.246 1.00 0.00 H new ATOM 283 N ASP A 869 -9.474 -6.759 -5.212 1.00 0.00 N ATOM 284 CA ASP A 869 -8.077 -6.922 -4.789 1.00 0.00 C ATOM 285 C ASP A 869 -7.761 -8.268 -4.104 1.00 0.00 C ATOM 286 O ASP A 869 -6.619 -8.488 -3.688 1.00 0.00 O ATOM 287 CB ASP A 869 -7.701 -5.747 -3.881 1.00 0.00 C ATOM 288 CG ASP A 869 -7.556 -4.407 -4.623 1.00 0.00 C ATOM 289 OD1 ASP A 869 -7.679 -3.354 -3.960 1.00 0.00 O ATOM 290 OD2 ASP A 869 -7.265 -4.378 -5.843 1.00 0.00 O1- ATOM 0 H ASP A 869 -10.034 -6.228 -4.545 1.00 0.00 H new ATOM 0 HA ASP A 869 -7.471 -6.929 -5.695 1.00 0.00 H new ATOM 0 HB2 ASP A 869 -8.461 -5.642 -3.106 1.00 0.00 H new ATOM 0 HB3 ASP A 869 -6.762 -5.976 -3.378 1.00 0.00 H new ATOM 295 N ASP A 870 -8.734 -9.178 -3.972 1.00 0.00 N ATOM 296 CA ASP A 870 -8.518 -10.539 -3.448 1.00 0.00 C ATOM 297 C ASP A 870 -8.492 -11.602 -4.561 1.00 0.00 C ATOM 298 O ASP A 870 -7.772 -12.598 -4.444 1.00 0.00 O ATOM 299 CB ASP A 870 -9.561 -10.881 -2.373 1.00 0.00 C ATOM 300 CG ASP A 870 -9.039 -11.929 -1.373 1.00 0.00 C ATOM 301 OD1 ASP A 870 -9.678 -12.994 -1.201 1.00 0.00 O ATOM 302 OD2 ASP A 870 -8.004 -11.661 -0.712 1.00 0.00 O1- ATOM 0 H ASP A 870 -9.704 -8.992 -4.227 1.00 0.00 H new ATOM 0 HA ASP A 870 -7.531 -10.551 -2.986 1.00 0.00 H new ATOM 0 HB2 ASP A 870 -9.838 -9.974 -1.836 1.00 0.00 H new ATOM 0 HB3 ASP A 870 -10.465 -11.256 -2.852 1.00 0.00 H new ATOM 307 N CYS A 871 -9.206 -11.345 -5.664 1.00 0.00 N ATOM 308 CA CYS A 871 -8.997 -11.964 -6.962 1.00 0.00 C ATOM 309 C CYS A 871 -8.697 -10.885 -8.042 1.00 0.00 C ATOM 310 O CYS A 871 -7.627 -10.264 -8.040 1.00 0.00 O ATOM 311 CB CYS A 871 -10.128 -12.999 -7.230 1.00 0.00 C ATOM 312 SG CYS A 871 -11.808 -12.363 -7.620 1.00 0.00 S ATOM 0 H CYS A 871 -9.973 -10.673 -5.668 1.00 0.00 H new ATOM 0 HA CYS A 871 -8.092 -12.571 -6.998 1.00 0.00 H new ATOM 0 HB2 CYS A 871 -9.811 -13.633 -8.058 1.00 0.00 H new ATOM 0 HB3 CYS A 871 -10.209 -13.639 -6.352 1.00 0.00 H new ATOM 0 HG CYS A 871 -12.616 -13.363 -7.815 1.00 0.00 H new ATOM 317 N PHE A 872 -9.644 -10.682 -8.955 1.00 0.00 N ATOM 318 CA PHE A 872 -9.593 -9.764 -10.107 1.00 0.00 C ATOM 319 C PHE A 872 -10.936 -9.511 -10.828 1.00 0.00 C ATOM 320 O PHE A 872 -11.005 -8.673 -11.729 1.00 0.00 O ATOM 321 CB PHE A 872 -8.576 -10.281 -11.128 1.00 0.00 C ATOM 322 CG PHE A 872 -8.963 -11.540 -11.888 1.00 0.00 C ATOM 323 CD1 PHE A 872 -9.366 -11.455 -13.235 1.00 0.00 C ATOM 324 CD2 PHE A 872 -8.891 -12.800 -11.263 1.00 0.00 C ATOM 325 CE1 PHE A 872 -9.709 -12.621 -13.944 1.00 0.00 C ATOM 326 CE2 PHE A 872 -9.243 -13.964 -11.970 1.00 0.00 C ATOM 327 CZ PHE A 872 -9.655 -13.875 -13.311 1.00 0.00 C ATOM 0 H PHE A 872 -10.530 -11.185 -8.913 1.00 0.00 H new ATOM 0 HA PHE A 872 -9.304 -8.803 -9.682 1.00 0.00 H new ATOM 0 HB2 PHE A 872 -8.386 -9.489 -11.853 1.00 0.00 H new ATOM 0 HB3 PHE A 872 -7.636 -10.470 -10.609 1.00 0.00 H new ATOM 0 HD1 PHE A 872 -9.412 -10.493 -13.724 1.00 0.00 H new ATOM 0 HD2 PHE A 872 -8.564 -12.873 -10.236 1.00 0.00 H new ATOM 0 HE1 PHE A 872 -10.015 -12.552 -14.978 1.00 0.00 H new ATOM 0 HE2 PHE A 872 -9.197 -14.927 -11.482 1.00 0.00 H new ATOM 0 HZ PHE A 872 -9.929 -14.768 -13.854 1.00 0.00 H new ATOM 337 N LYS A 873 -11.997 -10.227 -10.443 1.00 0.00 N ATOM 338 CA LYS A 873 -13.398 -10.032 -10.862 1.00 0.00 C ATOM 339 C LYS A 873 -13.841 -8.569 -10.767 1.00 0.00 C ATOM 340 O LYS A 873 -13.383 -7.825 -9.896 1.00 0.00 O ATOM 341 CB LYS A 873 -14.281 -10.920 -9.981 1.00 0.00 C ATOM 342 CG LYS A 873 -15.682 -11.206 -10.538 1.00 0.00 C ATOM 343 CD LYS A 873 -16.762 -10.376 -9.840 1.00 0.00 C ATOM 344 CE LYS A 873 -17.052 -10.950 -8.452 1.00 0.00 C ATOM 345 NZ LYS A 873 -17.919 -12.152 -8.478 1.00 0.00 N1+ ATOM 0 H LYS A 873 -11.900 -11.006 -9.792 1.00 0.00 H new ATOM 0 HA LYS A 873 -13.493 -10.309 -11.912 1.00 0.00 H new ATOM 0 HB2 LYS A 873 -13.770 -11.870 -9.822 1.00 0.00 H new ATOM 0 HB3 LYS A 873 -14.385 -10.447 -9.005 1.00 0.00 H new ATOM 0 HG2 LYS A 873 -15.697 -10.993 -11.607 1.00 0.00 H new ATOM 0 HG3 LYS A 873 -15.908 -12.266 -10.421 1.00 0.00 H new ATOM 0 HD2 LYS A 873 -16.435 -9.340 -9.752 1.00 0.00 H new ATOM 0 HD3 LYS A 873 -17.673 -10.373 -10.438 1.00 0.00 H new ATOM 0 HE2 LYS A 873 -16.109 -11.203 -7.968 1.00 0.00 H new ATOM 0 HE3 LYS A 873 -17.528 -10.182 -7.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 873 -18.131 -12.449 -7.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 873 -18.806 -11.929 -8.973 1.00 0.00 H new ATOM 0 HZ3 LYS A 873 -17.429 -12.923 -8.976 1.00 0.00 H new ATOM 359 N TRP A 874 -14.768 -8.186 -11.641 1.00 0.00 N ATOM 360 CA TRP A 874 -15.272 -6.816 -11.753 1.00 0.00 C ATOM 361 C TRP A 874 -16.735 -6.670 -11.325 1.00 0.00 C ATOM 362 O TRP A 874 -17.521 -7.611 -11.444 1.00 0.00 O ATOM 363 CB TRP A 874 -15.076 -6.321 -13.192 1.00 0.00 C ATOM 364 CG TRP A 874 -13.674 -6.367 -13.705 1.00 0.00 C ATOM 365 CD1 TRP A 874 -13.140 -7.346 -14.468 1.00 0.00 C ATOM 366 CD2 TRP A 874 -12.607 -5.403 -13.494 1.00 0.00 C ATOM 367 NE1 TRP A 874 -11.821 -7.050 -14.754 1.00 0.00 N ATOM 368 CE2 TRP A 874 -11.447 -5.853 -14.192 1.00 0.00 C ATOM 369 CE3 TRP A 874 -12.515 -4.161 -12.831 1.00 0.00 C ATOM 370 CZ2 TRP A 874 -10.266 -5.106 -14.248 1.00 0.00 C ATOM 371 CZ3 TRP A 874 -11.314 -3.429 -12.855 1.00 0.00 C ATOM 372 CH2 TRP A 874 -10.194 -3.883 -13.565 1.00 0.00 C ATOM 0 H TRP A 874 -15.199 -8.830 -12.305 1.00 0.00 H new ATOM 0 HA TRP A 874 -14.697 -6.200 -11.061 1.00 0.00 H new ATOM 0 HB2 TRP A 874 -15.705 -6.919 -13.852 1.00 0.00 H new ATOM 0 HB3 TRP A 874 -15.434 -5.293 -13.256 1.00 0.00 H new ATOM 0 HD1 TRP A 874 -13.665 -8.228 -14.804 1.00 0.00 H new ATOM 0 HE1 TRP A 874 -11.205 -7.643 -15.310 1.00 0.00 H new ATOM 0 HE3 TRP A 874 -13.372 -3.770 -12.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 874 -9.418 -5.467 -14.811 1.00 0.00 H new ATOM 0 HZ3 TRP A 874 -11.254 -2.496 -12.314 1.00 0.00 H new ATOM 0 HH2 TRP A 874 -9.286 -3.298 -13.586 1.00 0.00 H new ATOM 383 N ARG A 875 -17.119 -5.468 -10.880 1.00 0.00 N ATOM 384 CA ARG A 875 -18.498 -5.106 -10.510 1.00 0.00 C ATOM 385 C ARG A 875 -18.808 -3.671 -10.919 1.00 0.00 C ATOM 386 O ARG A 875 -17.966 -2.792 -10.747 1.00 0.00 O ATOM 387 CB ARG A 875 -18.704 -5.280 -8.991 1.00 0.00 C ATOM 388 CG ARG A 875 -18.864 -6.743 -8.538 1.00 0.00 C ATOM 389 CD ARG A 875 -20.043 -7.482 -9.187 1.00 0.00 C ATOM 390 NE ARG A 875 -21.317 -6.727 -9.091 1.00 0.00 N ATOM 391 CZ ARG A 875 -22.352 -6.818 -9.908 1.00 0.00 C ATOM 392 NH1 ARG A 875 -22.394 -7.693 -10.870 1.00 0.00 N1+ ATOM 393 NH2 ARG A 875 -23.376 -6.035 -9.777 1.00 0.00 N ATOM 0 H ARG A 875 -16.462 -4.696 -10.763 1.00 0.00 H new ATOM 0 HA ARG A 875 -19.181 -5.770 -11.040 1.00 0.00 H new ATOM 0 HB2 ARG A 875 -17.855 -4.841 -8.468 1.00 0.00 H new ATOM 0 HB3 ARG A 875 -19.589 -4.719 -8.689 1.00 0.00 H new ATOM 0 HG2 ARG A 875 -17.944 -7.283 -8.763 1.00 0.00 H new ATOM 0 HG3 ARG A 875 -18.989 -6.764 -7.455 1.00 0.00 H new ATOM 0 HD2 ARG A 875 -19.815 -7.670 -10.236 1.00 0.00 H new ATOM 0 HD3 ARG A 875 -20.165 -8.454 -8.709 1.00 0.00 H new ATOM 0 HE ARG A 875 -21.403 -6.071 -8.315 1.00 0.00 H new ATOM 0 HH11 ARG A 875 -21.613 -8.334 -11.011 1.00 0.00 H new ATOM 0 HH12 ARG A 875 -23.208 -7.738 -11.484 1.00 0.00 H new ATOM 0 HH21 ARG A 875 -23.391 -5.335 -9.035 1.00 0.00 H new ATOM 0 HH22 ARG A 875 -24.167 -6.118 -10.416 1.00 0.00 H new ATOM 407 N ARG A 876 -20.012 -3.441 -11.451 1.00 0.00 N ATOM 408 CA ARG A 876 -20.529 -2.110 -11.800 1.00 0.00 C ATOM 409 C ARG A 876 -21.001 -1.390 -10.534 1.00 0.00 C ATOM 410 O ARG A 876 -21.778 -1.947 -9.757 1.00 0.00 O ATOM 411 CB ARG A 876 -21.666 -2.254 -12.829 1.00 0.00 C ATOM 412 CG ARG A 876 -21.977 -0.957 -13.600 1.00 0.00 C ATOM 413 CD ARG A 876 -20.989 -0.828 -14.764 1.00 0.00 C ATOM 414 NE ARG A 876 -21.316 0.233 -15.731 1.00 0.00 N ATOM 415 CZ ARG A 876 -22.206 0.161 -16.704 1.00 0.00 C ATOM 416 NH1 ARG A 876 -23.051 -0.824 -16.836 1.00 0.00 N1+ ATOM 417 NH2 ARG A 876 -22.243 1.101 -17.600 1.00 0.00 N ATOM 0 H ARG A 876 -20.672 -4.191 -11.657 1.00 0.00 H new ATOM 0 HA ARG A 876 -19.739 -1.509 -12.250 1.00 0.00 H new ATOM 0 HB2 ARG A 876 -21.401 -3.035 -13.542 1.00 0.00 H new ATOM 0 HB3 ARG A 876 -22.568 -2.585 -12.315 1.00 0.00 H new ATOM 0 HG2 ARG A 876 -23.001 -0.976 -13.974 1.00 0.00 H new ATOM 0 HG3 ARG A 876 -21.895 -0.095 -12.938 1.00 0.00 H new ATOM 0 HD2 ARG A 876 -19.994 -0.639 -14.360 1.00 0.00 H new ATOM 0 HD3 ARG A 876 -20.943 -1.781 -15.292 1.00 0.00 H new ATOM 0 HE ARG A 876 -20.804 1.111 -15.640 1.00 0.00 H new ATOM 0 HH11 ARG A 876 -23.046 -1.593 -16.166 1.00 0.00 H new ATOM 0 HH12 ARG A 876 -23.716 -0.825 -17.609 1.00 0.00 H new ATOM 0 HH21 ARG A 876 -21.590 1.882 -17.547 1.00 0.00 H new ATOM 0 HH22 ARG A 876 -22.925 1.058 -18.357 1.00 0.00 H new ATOM 431 N ILE A 877 -20.535 -0.160 -10.337 1.00 0.00 N ATOM 432 CA ILE A 877 -20.803 0.678 -9.153 1.00 0.00 C ATOM 433 C ILE A 877 -21.241 2.100 -9.541 1.00 0.00 C ATOM 434 O ILE A 877 -20.854 2.592 -10.604 1.00 0.00 O ATOM 435 CB ILE A 877 -19.558 0.720 -8.233 1.00 0.00 C ATOM 436 CG1 ILE A 877 -18.346 1.381 -8.933 1.00 0.00 C ATOM 437 CG2 ILE A 877 -19.248 -0.698 -7.717 1.00 0.00 C ATOM 438 CD1 ILE A 877 -17.148 1.638 -8.016 1.00 0.00 C ATOM 0 H ILE A 877 -19.936 0.306 -11.019 1.00 0.00 H new ATOM 0 HA ILE A 877 -21.631 0.224 -8.608 1.00 0.00 H new ATOM 0 HB ILE A 877 -19.776 1.351 -7.371 1.00 0.00 H new ATOM 0 HG12 ILE A 877 -18.027 0.744 -9.758 1.00 0.00 H new ATOM 0 HG13 ILE A 877 -18.665 2.328 -9.367 1.00 0.00 H new ATOM 0 HG21 ILE A 877 -18.372 -0.666 -7.070 1.00 0.00 H new ATOM 0 HG22 ILE A 877 -20.102 -1.075 -7.154 1.00 0.00 H new ATOM 0 HG23 ILE A 877 -19.051 -1.358 -8.562 1.00 0.00 H new ATOM 0 HD11 ILE A 877 -16.345 2.103 -8.588 1.00 0.00 H new ATOM 0 HD12 ILE A 877 -17.447 2.302 -7.205 1.00 0.00 H new ATOM 0 HD13 ILE A 877 -16.798 0.693 -7.601 1.00 0.00 H new ATOM 450 N PRO A 878 -21.986 2.821 -8.685 1.00 0.00 N ATOM 451 CA PRO A 878 -22.149 4.261 -8.846 1.00 0.00 C ATOM 452 C PRO A 878 -20.817 4.989 -8.601 1.00 0.00 C ATOM 453 O PRO A 878 -19.995 4.573 -7.779 1.00 0.00 O ATOM 454 CB PRO A 878 -23.228 4.659 -7.835 1.00 0.00 C ATOM 455 CG PRO A 878 -23.037 3.640 -6.710 1.00 0.00 C ATOM 456 CD PRO A 878 -22.626 2.370 -7.455 1.00 0.00 C ATOM 0 HA PRO A 878 -22.446 4.537 -9.858 1.00 0.00 H new ATOM 0 HB2 PRO A 878 -23.092 5.681 -7.481 1.00 0.00 H new ATOM 0 HB3 PRO A 878 -24.227 4.601 -8.267 1.00 0.00 H new ATOM 0 HG2 PRO A 878 -22.270 3.959 -6.004 1.00 0.00 H new ATOM 0 HG3 PRO A 878 -23.954 3.493 -6.140 1.00 0.00 H new ATOM 0 HD2 PRO A 878 -21.942 1.769 -6.856 1.00 0.00 H new ATOM 0 HD3 PRO A 878 -23.493 1.746 -7.671 1.00 0.00 H new ATOM 464 N ALA A 879 -20.616 6.126 -9.268 1.00 0.00 N ATOM 465 CA ALA A 879 -19.429 6.973 -9.097 1.00 0.00 C ATOM 466 C ALA A 879 -19.214 7.486 -7.654 1.00 0.00 C ATOM 467 O ALA A 879 -18.091 7.808 -7.269 1.00 0.00 O ATOM 468 CB ALA A 879 -19.550 8.147 -10.066 1.00 0.00 C ATOM 0 H ALA A 879 -21.279 6.491 -9.951 1.00 0.00 H new ATOM 0 HA ALA A 879 -18.553 6.360 -9.310 1.00 0.00 H new ATOM 0 HB1 ALA A 879 -18.680 8.796 -9.962 1.00 0.00 H new ATOM 0 HB2 ALA A 879 -19.602 7.771 -11.088 1.00 0.00 H new ATOM 0 HB3 ALA A 879 -20.454 8.713 -9.841 1.00 0.00 H new ATOM 474 N SER A 880 -20.258 7.489 -6.818 1.00 0.00 N ATOM 475 CA SER A 880 -20.153 7.783 -5.377 1.00 0.00 C ATOM 476 C SER A 880 -19.278 6.765 -4.626 1.00 0.00 C ATOM 477 O SER A 880 -18.676 7.111 -3.608 1.00 0.00 O ATOM 478 CB SER A 880 -21.544 7.826 -4.730 1.00 0.00 C ATOM 479 OG SER A 880 -22.328 8.881 -5.269 1.00 0.00 O ATOM 0 H SER A 880 -21.210 7.286 -7.122 1.00 0.00 H new ATOM 0 HA SER A 880 -19.674 8.759 -5.298 1.00 0.00 H new ATOM 0 HB2 SER A 880 -22.051 6.874 -4.889 1.00 0.00 H new ATOM 0 HB3 SER A 880 -21.443 7.958 -3.653 1.00 0.00 H new ATOM 0 HG SER A 880 -23.210 8.885 -4.841 1.00 0.00 H new ATOM 485 N VAL A 881 -19.154 5.532 -5.138 1.00 0.00 N ATOM 486 CA VAL A 881 -18.215 4.522 -4.624 1.00 0.00 C ATOM 487 C VAL A 881 -16.849 4.683 -5.270 1.00 0.00 C ATOM 488 O VAL A 881 -15.841 4.612 -4.573 1.00 0.00 O ATOM 489 CB VAL A 881 -18.767 3.090 -4.797 1.00 0.00 C ATOM 490 CG1 VAL A 881 -17.800 1.977 -4.375 1.00 0.00 C ATOM 491 CG2 VAL A 881 -20.045 2.905 -3.967 1.00 0.00 C ATOM 0 H VAL A 881 -19.708 5.204 -5.929 1.00 0.00 H new ATOM 0 HA VAL A 881 -18.098 4.685 -3.553 1.00 0.00 H new ATOM 0 HB VAL A 881 -18.946 2.997 -5.868 1.00 0.00 H new ATOM 0 HG11 VAL A 881 -18.272 1.007 -4.531 1.00 0.00 H new ATOM 0 HG12 VAL A 881 -16.891 2.039 -4.973 1.00 0.00 H new ATOM 0 HG13 VAL A 881 -17.549 2.093 -3.321 1.00 0.00 H new ATOM 0 HG21 VAL A 881 -20.421 1.891 -4.100 1.00 0.00 H new ATOM 0 HG22 VAL A 881 -19.822 3.074 -2.914 1.00 0.00 H new ATOM 0 HG23 VAL A 881 -20.800 3.618 -4.298 1.00 0.00 H new ATOM 501 N VAL A 882 -16.781 4.998 -6.567 1.00 0.00 N ATOM 502 CA VAL A 882 -15.475 5.175 -7.238 1.00 0.00 C ATOM 503 C VAL A 882 -14.715 6.419 -6.743 1.00 0.00 C ATOM 504 O VAL A 882 -13.493 6.487 -6.855 1.00 0.00 O ATOM 505 CB VAL A 882 -15.595 5.116 -8.777 1.00 0.00 C ATOM 506 CG1 VAL A 882 -15.662 6.478 -9.480 1.00 0.00 C ATOM 507 CG2 VAL A 882 -14.408 4.351 -9.372 1.00 0.00 C ATOM 0 H VAL A 882 -17.593 5.135 -7.169 1.00 0.00 H new ATOM 0 HA VAL A 882 -14.862 4.322 -6.948 1.00 0.00 H new ATOM 0 HB VAL A 882 -16.546 4.614 -8.953 1.00 0.00 H new ATOM 0 HG11 VAL A 882 -15.745 6.328 -10.556 1.00 0.00 H new ATOM 0 HG12 VAL A 882 -16.531 7.030 -9.122 1.00 0.00 H new ATOM 0 HG13 VAL A 882 -14.757 7.045 -9.261 1.00 0.00 H new ATOM 0 HG21 VAL A 882 -14.504 4.317 -10.457 1.00 0.00 H new ATOM 0 HG22 VAL A 882 -13.479 4.856 -9.106 1.00 0.00 H new ATOM 0 HG23 VAL A 882 -14.395 3.335 -8.977 1.00 0.00 H new ATOM 517 N GLY A 883 -15.434 7.374 -6.142 1.00 0.00 N ATOM 518 CA GLY A 883 -14.870 8.531 -5.436 1.00 0.00 C ATOM 519 C GLY A 883 -14.454 8.244 -3.984 1.00 0.00 C ATOM 520 O GLY A 883 -13.668 8.999 -3.410 1.00 0.00 O ATOM 0 H GLY A 883 -16.454 7.363 -6.133 1.00 0.00 H new ATOM 0 HA2 GLY A 883 -14.000 8.890 -5.987 1.00 0.00 H new ATOM 0 HA3 GLY A 883 -15.604 9.337 -5.439 1.00 0.00 H new ATOM 524 N SER A 884 -14.960 7.157 -3.389 1.00 0.00 N ATOM 525 CA SER A 884 -14.599 6.678 -2.044 1.00 0.00 C ATOM 526 C SER A 884 -13.408 5.705 -2.077 1.00 0.00 C ATOM 527 O SER A 884 -12.496 5.801 -1.252 1.00 0.00 O ATOM 528 CB SER A 884 -15.826 6.015 -1.403 1.00 0.00 C ATOM 529 OG SER A 884 -15.554 5.579 -0.081 1.00 0.00 O ATOM 0 H SER A 884 -15.655 6.565 -3.844 1.00 0.00 H new ATOM 0 HA SER A 884 -14.286 7.534 -1.445 1.00 0.00 H new ATOM 0 HB2 SER A 884 -16.656 6.721 -1.390 1.00 0.00 H new ATOM 0 HB3 SER A 884 -16.139 5.165 -2.010 1.00 0.00 H new ATOM 0 HG SER A 884 -16.356 5.163 0.298 1.00 0.00 H new ATOM 535 N ILE A 885 -13.391 4.794 -3.057 1.00 0.00 N ATOM 536 CA ILE A 885 -12.302 3.845 -3.322 1.00 0.00 C ATOM 537 C ILE A 885 -11.110 4.606 -3.938 1.00 0.00 C ATOM 538 O ILE A 885 -11.193 5.142 -5.045 1.00 0.00 O ATOM 539 CB ILE A 885 -12.820 2.678 -4.211 1.00 0.00 C ATOM 540 CG1 ILE A 885 -13.558 1.558 -3.434 1.00 0.00 C ATOM 541 CG2 ILE A 885 -11.707 1.957 -4.986 1.00 0.00 C ATOM 542 CD1 ILE A 885 -14.674 2.036 -2.503 1.00 0.00 C ATOM 0 H ILE A 885 -14.165 4.693 -3.713 1.00 0.00 H new ATOM 0 HA ILE A 885 -11.949 3.389 -2.397 1.00 0.00 H new ATOM 0 HB ILE A 885 -13.505 3.199 -4.880 1.00 0.00 H new ATOM 0 HG12 ILE A 885 -13.982 0.858 -4.154 1.00 0.00 H new ATOM 0 HG13 ILE A 885 -12.827 1.005 -2.844 1.00 0.00 H new ATOM 0 HG21 ILE A 885 -12.141 1.156 -5.584 1.00 0.00 H new ATOM 0 HG22 ILE A 885 -11.202 2.666 -5.641 1.00 0.00 H new ATOM 0 HG23 ILE A 885 -10.988 1.537 -4.283 1.00 0.00 H new ATOM 0 HD11 ILE A 885 -15.127 1.177 -2.007 1.00 0.00 H new ATOM 0 HD12 ILE A 885 -14.259 2.711 -1.754 1.00 0.00 H new ATOM 0 HD13 ILE A 885 -15.432 2.561 -3.084 1.00 0.00 H new ATOM 603 N ARG A 890 -8.799 -1.274 -0.346 1.00 0.00 N ATOM 604 CA ARG A 890 -8.921 -2.696 -0.696 1.00 0.00 C ATOM 605 C ARG A 890 -10.386 -3.099 -0.875 1.00 0.00 C ATOM 606 O ARG A 890 -11.037 -3.593 0.047 1.00 0.00 O ATOM 607 CB ARG A 890 -8.159 -3.567 0.313 1.00 0.00 C ATOM 608 CG ARG A 890 -7.886 -4.942 -0.308 1.00 0.00 C ATOM 609 CD ARG A 890 -7.098 -5.884 0.602 1.00 0.00 C ATOM 610 NE ARG A 890 -6.648 -7.050 -0.182 1.00 0.00 N ATOM 611 CZ ARG A 890 -6.989 -8.317 -0.046 1.00 0.00 C ATOM 612 NH1 ARG A 890 -7.727 -8.760 0.931 1.00 0.00 N1+ ATOM 613 NH2 ARG A 890 -6.600 -9.193 -0.917 1.00 0.00 N ATOM 0 HA ARG A 890 -8.450 -2.866 -1.664 1.00 0.00 H new ATOM 0 HB2 ARG A 890 -7.220 -3.087 0.589 1.00 0.00 H new ATOM 0 HB3 ARG A 890 -8.741 -3.678 1.228 1.00 0.00 H new ATOM 0 HG2 ARG A 890 -8.837 -5.410 -0.564 1.00 0.00 H new ATOM 0 HG3 ARG A 890 -7.336 -4.807 -1.239 1.00 0.00 H new ATOM 0 HD2 ARG A 890 -6.240 -5.364 1.028 1.00 0.00 H new ATOM 0 HD3 ARG A 890 -7.720 -6.209 1.436 1.00 0.00 H new ATOM 0 HE ARG A 890 -5.984 -6.849 -0.930 1.00 0.00 H new ATOM 0 HH11 ARG A 890 -8.073 -8.115 1.642 1.00 0.00 H new ATOM 0 HH12 ARG A 890 -7.959 -9.752 0.986 1.00 0.00 H new ATOM 0 HH21 ARG A 890 -6.028 -8.904 -1.711 1.00 0.00 H new ATOM 0 HH22 ARG A 890 -6.865 -10.172 -0.809 1.00 0.00 H new ATOM 627 N TRP A 891 -10.904 -2.856 -2.073 1.00 0.00 N ATOM 628 CA TRP A 891 -12.250 -3.275 -2.472 1.00 0.00 C ATOM 629 C TRP A 891 -12.209 -4.743 -2.917 1.00 0.00 C ATOM 630 O TRP A 891 -11.329 -5.120 -3.695 1.00 0.00 O ATOM 631 CB TRP A 891 -12.804 -2.351 -3.562 1.00 0.00 C ATOM 632 CG TRP A 891 -14.274 -2.499 -3.818 1.00 0.00 C ATOM 633 CD1 TRP A 891 -15.200 -1.636 -3.352 1.00 0.00 C ATOM 634 CD2 TRP A 891 -15.024 -3.536 -4.531 1.00 0.00 C ATOM 635 NE1 TRP A 891 -16.456 -2.006 -3.772 1.00 0.00 N ATOM 636 CE2 TRP A 891 -16.416 -3.201 -4.453 1.00 0.00 C ATOM 637 CE3 TRP A 891 -14.691 -4.727 -5.218 1.00 0.00 C ATOM 638 CZ2 TRP A 891 -17.419 -4.011 -4.992 1.00 0.00 C ATOM 639 CZ3 TRP A 891 -15.698 -5.555 -5.757 1.00 0.00 C ATOM 640 CH2 TRP A 891 -17.050 -5.204 -5.626 1.00 0.00 C ATOM 0 H TRP A 891 -10.399 -2.357 -2.806 1.00 0.00 H new ATOM 0 HA TRP A 891 -12.930 -3.196 -1.624 1.00 0.00 H new ATOM 0 HB2 TRP A 891 -12.600 -1.318 -3.282 1.00 0.00 H new ATOM 0 HB3 TRP A 891 -12.266 -2.542 -4.490 1.00 0.00 H new ATOM 0 HD1 TRP A 891 -14.985 -0.775 -2.736 1.00 0.00 H new ATOM 0 HE1 TRP A 891 -17.305 -1.466 -3.601 1.00 0.00 H new ATOM 0 HE3 TRP A 891 -13.654 -5.006 -5.331 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 -18.457 -3.723 -4.921 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 -15.427 -6.464 -6.273 1.00 0.00 H new ATOM 0 HH2 TRP A 891 -17.813 -5.860 -6.018 1.00 0.00 H new ATOM 651 N ILE A 892 -13.127 -5.578 -2.422 1.00 0.00 N ATOM 652 CA ILE A 892 -13.185 -7.018 -2.726 1.00 0.00 C ATOM 653 C ILE A 892 -14.629 -7.515 -2.896 1.00 0.00 C ATOM 654 O ILE A 892 -15.568 -6.890 -2.390 1.00 0.00 O ATOM 655 CB ILE A 892 -12.442 -7.840 -1.646 1.00 0.00 C ATOM 656 CG1 ILE A 892 -13.178 -7.804 -0.290 1.00 0.00 C ATOM 657 CG2 ILE A 892 -10.974 -7.400 -1.488 1.00 0.00 C ATOM 658 CD1 ILE A 892 -12.787 -8.967 0.622 1.00 0.00 C ATOM 0 H ILE A 892 -13.865 -5.271 -1.788 1.00 0.00 H new ATOM 0 HA ILE A 892 -12.680 -7.166 -3.680 1.00 0.00 H new ATOM 0 HB ILE A 892 -12.437 -8.873 -1.994 1.00 0.00 H new ATOM 0 HG12 ILE A 892 -12.958 -6.863 0.214 1.00 0.00 H new ATOM 0 HG13 ILE A 892 -14.254 -7.829 -0.464 1.00 0.00 H new ATOM 0 HG21 ILE A 892 -10.494 -8.005 -0.719 1.00 0.00 H new ATOM 0 HG22 ILE A 892 -10.450 -7.533 -2.435 1.00 0.00 H new ATOM 0 HG23 ILE A 892 -10.938 -6.350 -1.198 1.00 0.00 H new ATOM 0 HD11 ILE A 892 -13.334 -8.892 1.562 1.00 0.00 H new ATOM 0 HD12 ILE A 892 -13.031 -9.910 0.134 1.00 0.00 H new ATOM 0 HD13 ILE A 892 -11.716 -8.929 0.822 1.00 0.00 H new ATOM 670 N CYS A 893 -14.806 -8.689 -3.506 1.00 0.00 N ATOM 671 CA CYS A 893 -16.099 -9.348 -3.652 1.00 0.00 C ATOM 672 C CYS A 893 -16.894 -9.458 -2.330 1.00 0.00 C ATOM 673 O CYS A 893 -18.087 -9.165 -2.324 1.00 0.00 O ATOM 674 CB CYS A 893 -15.907 -10.730 -4.289 1.00 0.00 C ATOM 675 SG CYS A 893 -15.077 -10.662 -5.907 1.00 0.00 S ATOM 0 H CYS A 893 -14.037 -9.216 -3.920 1.00 0.00 H new ATOM 0 HA CYS A 893 -16.702 -8.718 -4.306 1.00 0.00 H new ATOM 0 HB2 CYS A 893 -15.324 -11.356 -3.614 1.00 0.00 H new ATOM 0 HB3 CYS A 893 -16.880 -11.208 -4.406 1.00 0.00 H new ATOM 0 HG CYS A 893 -13.816 -10.398 -5.737 1.00 0.00 H new ATOM 680 N MET A 894 -16.274 -9.866 -1.212 1.00 0.00 N ATOM 681 CA MET A 894 -17.004 -10.064 0.056 1.00 0.00 C ATOM 682 C MET A 894 -17.633 -8.754 0.586 1.00 0.00 C ATOM 683 O MET A 894 -18.661 -8.782 1.265 1.00 0.00 O ATOM 684 CB MET A 894 -16.049 -10.740 1.056 1.00 0.00 C ATOM 685 CG MET A 894 -16.479 -10.750 2.527 1.00 0.00 C ATOM 686 SD MET A 894 -16.122 -9.220 3.443 1.00 0.00 S ATOM 687 CE MET A 894 -16.789 -9.681 5.065 1.00 0.00 C ATOM 0 H MET A 894 -15.275 -10.065 -1.157 1.00 0.00 H new ATOM 0 HA MET A 894 -17.860 -10.719 -0.105 1.00 0.00 H new ATOM 0 HB2 MET A 894 -15.901 -11.772 0.739 1.00 0.00 H new ATOM 0 HB3 MET A 894 -15.081 -10.244 0.989 1.00 0.00 H new ATOM 0 HG2 MET A 894 -17.551 -10.943 2.575 1.00 0.00 H new ATOM 0 HG3 MET A 894 -15.983 -11.580 3.029 1.00 0.00 H new ATOM 0 HE1 MET A 894 -16.655 -8.854 5.762 1.00 0.00 H new ATOM 0 HE2 MET A 894 -17.851 -9.908 4.971 1.00 0.00 H new ATOM 0 HE3 MET A 894 -16.262 -10.559 5.439 1.00 0.00 H new ATOM 697 N ASN A 895 -17.055 -7.603 0.222 1.00 0.00 N ATOM 698 CA ASN A 895 -17.536 -6.258 0.564 1.00 0.00 C ATOM 699 C ASN A 895 -18.627 -5.730 -0.398 1.00 0.00 C ATOM 700 O ASN A 895 -19.271 -4.722 -0.102 1.00 0.00 O ATOM 701 CB ASN A 895 -16.298 -5.331 0.678 1.00 0.00 C ATOM 702 CG ASN A 895 -16.308 -4.099 -0.216 1.00 0.00 C ATOM 703 OD1 ASN A 895 -16.423 -2.968 0.235 1.00 0.00 O ATOM 704 ND2 ASN A 895 -16.173 -4.277 -1.509 1.00 0.00 N ATOM 0 H ASN A 895 -16.205 -7.582 -0.342 1.00 0.00 H new ATOM 0 HA ASN A 895 -18.053 -6.287 1.523 1.00 0.00 H new ATOM 0 HB2 ASN A 895 -16.207 -5.004 1.714 1.00 0.00 H new ATOM 0 HB3 ASN A 895 -15.407 -5.916 0.449 1.00 0.00 H new ATOM 0 HD21 ASN A 895 -16.164 -3.473 -2.136 1.00 0.00 H new ATOM 0 HD22 ASN A 895 -16.077 -5.220 -1.887 1.00 0.00 H new ATOM 711 N ASN A 896 -18.817 -6.384 -1.552 1.00 0.00 N ATOM 712 CA ASN A 896 -19.699 -5.939 -2.636 1.00 0.00 C ATOM 713 C ASN A 896 -21.140 -5.676 -2.165 1.00 0.00 C ATOM 714 O ASN A 896 -21.735 -6.471 -1.433 1.00 0.00 O ATOM 715 CB ASN A 896 -19.685 -6.987 -3.763 1.00 0.00 C ATOM 716 CG ASN A 896 -20.533 -6.613 -4.969 1.00 0.00 C ATOM 717 OD1 ASN A 896 -20.585 -5.474 -5.399 1.00 0.00 O ATOM 718 ND2 ASN A 896 -21.254 -7.549 -5.542 1.00 0.00 N ATOM 0 H ASN A 896 -18.346 -7.264 -1.762 1.00 0.00 H new ATOM 0 HA ASN A 896 -19.317 -4.986 -3.003 1.00 0.00 H new ATOM 0 HB2 ASN A 896 -18.656 -7.140 -4.089 1.00 0.00 H new ATOM 0 HB3 ASN A 896 -20.038 -7.938 -3.365 1.00 0.00 H new ATOM 0 HD21 ASN A 896 -21.849 -7.319 -6.338 1.00 0.00 H new ATOM 0 HD22 ASN A 896 -21.219 -8.506 -5.191 1.00 0.00 H new ATOM 725 N SER A 897 -21.715 -4.582 -2.663 1.00 0.00 N ATOM 726 CA SER A 897 -23.109 -4.176 -2.432 1.00 0.00 C ATOM 727 C SER A 897 -24.138 -5.248 -2.813 1.00 0.00 C ATOM 728 O SER A 897 -25.096 -5.498 -2.080 1.00 0.00 O ATOM 729 CB SER A 897 -23.399 -2.942 -3.290 1.00 0.00 C ATOM 730 OG SER A 897 -22.649 -1.822 -2.842 1.00 0.00 O ATOM 0 H SER A 897 -21.209 -3.928 -3.260 1.00 0.00 H new ATOM 0 HA SER A 897 -23.206 -3.989 -1.363 1.00 0.00 H new ATOM 0 HB2 SER A 897 -23.156 -3.154 -4.331 1.00 0.00 H new ATOM 0 HB3 SER A 897 -24.463 -2.710 -3.252 1.00 0.00 H new ATOM 0 HG SER A 897 -22.850 -1.047 -3.407 1.00 0.00 H new ATOM 736 N ASP A 898 -23.943 -5.872 -3.973 1.00 0.00 N ATOM 737 CA ASP A 898 -24.882 -6.826 -4.572 1.00 0.00 C ATOM 738 C ASP A 898 -24.588 -8.270 -4.145 1.00 0.00 C ATOM 739 O ASP A 898 -23.701 -8.941 -4.679 1.00 0.00 O ATOM 740 CB ASP A 898 -24.894 -6.689 -6.101 1.00 0.00 C ATOM 741 CG ASP A 898 -24.942 -5.231 -6.591 1.00 0.00 C ATOM 742 OD1 ASP A 898 -25.916 -4.508 -6.270 1.00 0.00 O ATOM 743 OD2 ASP A 898 -24.004 -4.821 -7.314 1.00 0.00 O1- ATOM 0 H ASP A 898 -23.107 -5.726 -4.539 1.00 0.00 H new ATOM 0 HA ASP A 898 -25.877 -6.583 -4.199 1.00 0.00 H new ATOM 0 HB2 ASP A 898 -24.004 -7.170 -6.507 1.00 0.00 H new ATOM 0 HB3 ASP A 898 -25.756 -7.225 -6.498 1.00 0.00 H new ATOM 748 N LYS A 899 -25.391 -8.779 -3.210 1.00 0.00 N ATOM 749 CA LYS A 899 -25.258 -10.110 -2.584 1.00 0.00 C ATOM 750 C LYS A 899 -25.340 -11.277 -3.581 1.00 0.00 C ATOM 751 O LYS A 899 -24.845 -12.366 -3.293 1.00 0.00 O ATOM 752 CB LYS A 899 -26.323 -10.258 -1.479 1.00 0.00 C ATOM 753 CG LYS A 899 -26.187 -9.230 -0.341 1.00 0.00 C ATOM 754 CD LYS A 899 -25.173 -9.691 0.710 1.00 0.00 C ATOM 755 CE LYS A 899 -25.780 -10.771 1.616 1.00 0.00 C ATOM 756 NZ LYS A 899 -24.811 -11.237 2.643 1.00 0.00 N1+ ATOM 0 H LYS A 899 -26.189 -8.258 -2.847 1.00 0.00 H new ATOM 0 HA LYS A 899 -24.257 -10.165 -2.157 1.00 0.00 H new ATOM 0 HB2 LYS A 899 -27.312 -10.162 -1.926 1.00 0.00 H new ATOM 0 HB3 LYS A 899 -26.259 -11.262 -1.059 1.00 0.00 H new ATOM 0 HG2 LYS A 899 -25.876 -8.269 -0.752 1.00 0.00 H new ATOM 0 HG3 LYS A 899 -27.158 -9.076 0.130 1.00 0.00 H new ATOM 0 HD2 LYS A 899 -24.283 -10.082 0.216 1.00 0.00 H new ATOM 0 HD3 LYS A 899 -24.855 -8.840 1.313 1.00 0.00 H new ATOM 0 HE2 LYS A 899 -26.669 -10.376 2.108 1.00 0.00 H new ATOM 0 HE3 LYS A 899 -26.101 -11.617 1.008 1.00 0.00 H new ATOM 0 HZ1 LYS A 899 -25.257 -11.966 3.236 1.00 0.00 H new ATOM 0 HZ2 LYS A 899 -23.973 -11.637 2.174 1.00 0.00 H new ATOM 0 HZ3 LYS A 899 -24.524 -10.434 3.239 1.00 0.00 H new ATOM 770 N ARG A 900 -25.899 -11.035 -4.774 1.00 0.00 N ATOM 771 CA ARG A 900 -25.923 -11.968 -5.922 1.00 0.00 C ATOM 772 C ARG A 900 -24.531 -12.221 -6.520 1.00 0.00 C ATOM 773 O ARG A 900 -24.317 -13.265 -7.134 1.00 0.00 O ATOM 774 CB ARG A 900 -26.862 -11.414 -7.012 1.00 0.00 C ATOM 775 CG ARG A 900 -28.357 -11.706 -6.794 1.00 0.00 C ATOM 776 CD ARG A 900 -28.963 -11.038 -5.550 1.00 0.00 C ATOM 777 NE ARG A 900 -30.429 -11.214 -5.499 1.00 0.00 N ATOM 778 CZ ARG A 900 -31.103 -12.235 -4.997 1.00 0.00 C ATOM 779 NH1 ARG A 900 -30.513 -13.269 -4.465 1.00 0.00 N1+ ATOM 780 NH2 ARG A 900 -32.405 -12.237 -5.022 1.00 0.00 N ATOM 0 H ARG A 900 -26.366 -10.152 -4.980 1.00 0.00 H new ATOM 0 HA ARG A 900 -26.287 -12.926 -5.550 1.00 0.00 H new ATOM 0 HB2 ARG A 900 -26.724 -10.335 -7.075 1.00 0.00 H new ATOM 0 HB3 ARG A 900 -26.563 -11.830 -7.974 1.00 0.00 H new ATOM 0 HG2 ARG A 900 -28.910 -11.377 -7.673 1.00 0.00 H new ATOM 0 HG3 ARG A 900 -28.496 -12.784 -6.716 1.00 0.00 H new ATOM 0 HD2 ARG A 900 -28.513 -11.463 -4.653 1.00 0.00 H new ATOM 0 HD3 ARG A 900 -28.723 -9.975 -5.554 1.00 0.00 H new ATOM 0 HE ARG A 900 -30.987 -10.459 -5.898 1.00 0.00 H new ATOM 0 HH11 ARG A 900 -29.495 -13.311 -4.425 1.00 0.00 H new ATOM 0 HH12 ARG A 900 -31.070 -14.036 -4.089 1.00 0.00 H new ATOM 0 HH21 ARG A 900 -32.908 -11.449 -5.430 1.00 0.00 H new ATOM 0 HH22 ARG A 900 -32.921 -13.026 -4.634 1.00 0.00 H new ATOM 794 N PHE A 901 -23.590 -11.288 -6.332 1.00 0.00 N ATOM 795 CA PHE A 901 -22.244 -11.315 -6.932 1.00 0.00 C ATOM 796 C PHE A 901 -21.083 -11.149 -5.932 1.00 0.00 C ATOM 797 O PHE A 901 -19.916 -11.099 -6.323 1.00 0.00 O ATOM 798 CB PHE A 901 -22.158 -10.276 -8.066 1.00 0.00 C ATOM 799 CG PHE A 901 -23.299 -10.238 -9.074 1.00 0.00 C ATOM 800 CD1 PHE A 901 -24.464 -9.497 -8.796 1.00 0.00 C ATOM 801 CD2 PHE A 901 -23.169 -10.865 -10.327 1.00 0.00 C ATOM 802 CE1 PHE A 901 -25.493 -9.402 -9.748 1.00 0.00 C ATOM 803 CE2 PHE A 901 -24.196 -10.773 -11.283 1.00 0.00 C ATOM 804 CZ PHE A 901 -25.361 -10.044 -10.992 1.00 0.00 C ATOM 0 H PHE A 901 -23.745 -10.470 -5.743 1.00 0.00 H new ATOM 0 HA PHE A 901 -22.113 -12.320 -7.333 1.00 0.00 H new ATOM 0 HB2 PHE A 901 -22.078 -9.288 -7.612 1.00 0.00 H new ATOM 0 HB3 PHE A 901 -21.232 -10.451 -8.613 1.00 0.00 H new ATOM 0 HD1 PHE A 901 -24.567 -8.998 -7.844 1.00 0.00 H new ATOM 0 HD2 PHE A 901 -22.272 -11.422 -10.556 1.00 0.00 H new ATOM 0 HE1 PHE A 901 -26.385 -8.836 -9.524 1.00 0.00 H new ATOM 0 HE2 PHE A 901 -24.089 -11.262 -12.240 1.00 0.00 H new ATOM 0 HZ PHE A 901 -26.154 -9.977 -11.722 1.00 0.00 H new ATOM 814 N ALA A 902 -21.399 -11.071 -4.642 1.00 0.00 N ATOM 815 CA ALA A 902 -20.528 -10.715 -3.519 1.00 0.00 C ATOM 816 C ALA A 902 -19.642 -11.865 -2.992 1.00 0.00 C ATOM 817 O ALA A 902 -19.451 -12.035 -1.788 1.00 0.00 O ATOM 818 CB ALA A 902 -21.396 -10.062 -2.430 1.00 0.00 C ATOM 0 H ALA A 902 -22.348 -11.271 -4.327 1.00 0.00 H new ATOM 0 HA ALA A 902 -19.786 -10.001 -3.877 1.00 0.00 H new ATOM 0 HB1 ALA A 902 -20.769 -9.787 -1.581 1.00 0.00 H new ATOM 0 HB2 ALA A 902 -21.874 -9.169 -2.833 1.00 0.00 H new ATOM 0 HB3 ALA A 902 -22.161 -10.767 -2.103 1.00 0.00 H new ATOM 824 N ASP A 903 -19.088 -12.650 -3.912 1.00 0.00 N ATOM 825 CA ASP A 903 -18.022 -13.628 -3.657 1.00 0.00 C ATOM 826 C ASP A 903 -17.114 -13.812 -4.877 1.00 0.00 C ATOM 827 O ASP A 903 -17.554 -13.711 -6.027 1.00 0.00 O ATOM 828 CB ASP A 903 -18.609 -14.969 -3.174 1.00 0.00 C ATOM 829 CG ASP A 903 -18.696 -15.110 -1.640 1.00 0.00 C ATOM 830 OD1 ASP A 903 -19.735 -15.607 -1.139 1.00 0.00 O ATOM 831 OD2 ASP A 903 -17.698 -14.821 -0.936 1.00 0.00 O1- ATOM 0 H ASP A 903 -19.375 -12.626 -4.890 1.00 0.00 H new ATOM 0 HA ASP A 903 -17.396 -13.233 -2.857 1.00 0.00 H new ATOM 0 HB2 ASP A 903 -19.607 -15.087 -3.595 1.00 0.00 H new ATOM 0 HB3 ASP A 903 -17.999 -15.782 -3.568 1.00 0.00 H new ATOM 836 N CYS A 904 -15.852 -14.157 -4.610 1.00 0.00 N ATOM 837 CA CYS A 904 -14.844 -14.529 -5.598 1.00 0.00 C ATOM 838 C CYS A 904 -15.296 -15.731 -6.479 1.00 0.00 C ATOM 839 O CYS A 904 -14.780 -15.937 -7.580 1.00 0.00 O ATOM 840 CB CYS A 904 -13.544 -14.804 -4.809 1.00 0.00 C ATOM 841 SG CYS A 904 -12.986 -13.346 -3.847 1.00 0.00 S ATOM 0 H CYS A 904 -15.492 -14.185 -3.656 1.00 0.00 H new ATOM 0 HA CYS A 904 -14.683 -13.726 -6.317 1.00 0.00 H new ATOM 0 HB2 CYS A 904 -13.704 -15.643 -4.132 1.00 0.00 H new ATOM 0 HB3 CYS A 904 -12.757 -15.100 -5.503 1.00 0.00 H new ATOM 0 HG CYS A 904 -13.506 -12.267 -4.353 1.00 0.00 H new ATOM 846 N SER A 905 -16.256 -16.522 -5.976 1.00 0.00 N ATOM 847 CA SER A 905 -16.856 -17.678 -6.664 1.00 0.00 C ATOM 848 C SER A 905 -18.083 -17.316 -7.511 1.00 0.00 C ATOM 849 O SER A 905 -18.491 -18.106 -8.366 1.00 0.00 O ATOM 850 CB SER A 905 -17.262 -18.750 -5.647 1.00 0.00 C ATOM 851 OG SER A 905 -16.135 -19.223 -4.920 1.00 0.00 O ATOM 0 H SER A 905 -16.650 -16.370 -5.048 1.00 0.00 H new ATOM 0 HA SER A 905 -16.088 -18.053 -7.340 1.00 0.00 H new ATOM 0 HB2 SER A 905 -17.998 -18.339 -4.956 1.00 0.00 H new ATOM 0 HB3 SER A 905 -17.740 -19.582 -6.163 1.00 0.00 H new ATOM 0 HG SER A 905 -16.423 -19.904 -4.277 1.00 0.00 H new ATOM 857 N LYS A 906 -18.696 -16.145 -7.280 1.00 0.00 N ATOM 858 CA LYS A 906 -19.840 -15.651 -8.066 1.00 0.00 C ATOM 859 C LYS A 906 -19.429 -15.064 -9.425 1.00 0.00 C ATOM 860 O LYS A 906 -18.252 -14.811 -9.691 1.00 0.00 O ATOM 861 CB LYS A 906 -20.605 -14.596 -7.261 1.00 0.00 C ATOM 862 CG LYS A 906 -21.481 -15.075 -6.094 1.00 0.00 C ATOM 863 CD LYS A 906 -22.597 -16.069 -6.461 1.00 0.00 C ATOM 864 CE LYS A 906 -22.146 -17.532 -6.326 1.00 0.00 C ATOM 865 NZ LYS A 906 -23.247 -18.476 -6.659 1.00 0.00 N1+ ATOM 0 H LYS A 906 -18.410 -15.508 -6.536 1.00 0.00 H new ATOM 0 HA LYS A 906 -20.477 -16.512 -8.270 1.00 0.00 H new ATOM 0 HB2 LYS A 906 -19.878 -13.887 -6.864 1.00 0.00 H new ATOM 0 HB3 LYS A 906 -21.242 -14.045 -7.953 1.00 0.00 H new ATOM 0 HG2 LYS A 906 -20.837 -15.540 -5.347 1.00 0.00 H new ATOM 0 HG3 LYS A 906 -21.936 -14.203 -5.624 1.00 0.00 H new ATOM 0 HD2 LYS A 906 -23.460 -15.897 -5.817 1.00 0.00 H new ATOM 0 HD3 LYS A 906 -22.922 -15.885 -7.485 1.00 0.00 H new ATOM 0 HE2 LYS A 906 -21.297 -17.714 -6.985 1.00 0.00 H new ATOM 0 HE3 LYS A 906 -21.804 -17.716 -5.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 906 -22.908 -19.454 -6.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 906 -24.047 -18.318 -6.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 906 -23.556 -18.317 -7.639 1.00 0.00 H new ATOM 879 N SER A 907 -20.440 -14.783 -10.248 1.00 0.00 N ATOM 880 CA SER A 907 -20.304 -14.229 -11.602 1.00 0.00 C ATOM 881 C SER A 907 -20.151 -12.693 -11.598 1.00 0.00 C ATOM 882 O SER A 907 -19.848 -12.097 -10.559 1.00 0.00 O ATOM 883 CB SER A 907 -21.490 -14.724 -12.445 1.00 0.00 C ATOM 884 OG SER A 907 -21.278 -14.507 -13.831 1.00 0.00 O ATOM 0 H SER A 907 -21.413 -14.939 -9.983 1.00 0.00 H new ATOM 0 HA SER A 907 -19.380 -14.587 -12.056 1.00 0.00 H new ATOM 0 HB2 SER A 907 -21.646 -15.787 -12.263 1.00 0.00 H new ATOM 0 HB3 SER A 907 -22.399 -14.210 -12.131 1.00 0.00 H new ATOM 0 HG SER A 907 -22.051 -14.835 -14.336 1.00 0.00 H new ATOM 890 N GLN A 908 -20.363 -12.042 -12.745 1.00 0.00 N ATOM 891 CA GLN A 908 -20.287 -10.589 -12.946 1.00 0.00 C ATOM 892 C GLN A 908 -21.253 -10.094 -14.045 1.00 0.00 C ATOM 893 O GLN A 908 -21.782 -10.881 -14.830 1.00 0.00 O ATOM 894 CB GLN A 908 -18.829 -10.197 -13.239 1.00 0.00 C ATOM 895 CG GLN A 908 -18.342 -10.596 -14.635 1.00 0.00 C ATOM 896 CD GLN A 908 -16.817 -10.680 -14.697 1.00 0.00 C ATOM 897 OE1 GLN A 908 -16.196 -11.594 -14.173 1.00 0.00 O ATOM 898 NE2 GLN A 908 -16.163 -9.740 -15.340 1.00 0.00 N ATOM 0 H GLN A 908 -20.605 -12.538 -13.603 1.00 0.00 H new ATOM 0 HA GLN A 908 -20.611 -10.094 -12.031 1.00 0.00 H new ATOM 0 HB2 GLN A 908 -18.724 -9.118 -13.124 1.00 0.00 H new ATOM 0 HB3 GLN A 908 -18.183 -10.661 -12.494 1.00 0.00 H new ATOM 0 HG2 GLN A 908 -18.771 -11.560 -14.909 1.00 0.00 H new ATOM 0 HG3 GLN A 908 -18.697 -9.870 -15.366 1.00 0.00 H new ATOM 0 HE21 GLN A 908 -16.673 -8.974 -15.780 1.00 0.00 H new ATOM 0 HE22 GLN A 908 -15.145 -9.776 -15.399 1.00 0.00 H new ATOM 907 N GLU A 909 -21.472 -8.777 -14.115 1.00 0.00 N ATOM 908 CA GLU A 909 -22.397 -8.138 -15.075 1.00 0.00 C ATOM 909 C GLU A 909 -21.938 -8.244 -16.551 1.00 0.00 C ATOM 910 O GLU A 909 -22.778 -8.329 -17.449 1.00 0.00 O ATOM 911 CB GLU A 909 -22.621 -6.681 -14.618 1.00 0.00 C ATOM 912 CG GLU A 909 -23.449 -5.815 -15.584 1.00 0.00 C ATOM 913 CD GLU A 909 -23.802 -4.433 -14.992 1.00 0.00 C ATOM 914 OE1 GLU A 909 -23.445 -3.398 -15.608 1.00 0.00 O ATOM 915 OE2 GLU A 909 -24.466 -4.373 -13.929 1.00 0.00 O1- ATOM 0 H GLU A 909 -21.008 -8.109 -13.500 1.00 0.00 H new ATOM 0 HA GLU A 909 -23.344 -8.678 -15.066 1.00 0.00 H new ATOM 0 HB2 GLU A 909 -23.118 -6.693 -13.648 1.00 0.00 H new ATOM 0 HB3 GLU A 909 -21.650 -6.209 -14.473 1.00 0.00 H new ATOM 0 HG2 GLU A 909 -22.892 -5.677 -16.511 1.00 0.00 H new ATOM 0 HG3 GLU A 909 -24.368 -6.341 -15.840 1.00 0.00 H new ATOM 922 N MET A 910 -20.623 -8.290 -16.809 1.00 0.00 N ATOM 923 CA MET A 910 -20.011 -8.485 -18.139 1.00 0.00 C ATOM 924 C MET A 910 -18.623 -9.111 -17.994 1.00 0.00 C ATOM 925 O MET A 910 -17.813 -8.596 -17.222 1.00 0.00 O ATOM 926 CB MET A 910 -19.799 -7.158 -18.890 1.00 0.00 C ATOM 927 CG MET A 910 -21.046 -6.328 -19.191 1.00 0.00 C ATOM 928 SD MET A 910 -20.664 -4.785 -20.067 1.00 0.00 S ATOM 929 CE MET A 910 -22.290 -3.988 -19.990 1.00 0.00 C ATOM 0 H MET A 910 -19.926 -8.189 -16.071 1.00 0.00 H new ATOM 0 HA MET A 910 -20.700 -9.123 -18.693 1.00 0.00 H new ATOM 0 HB2 MET A 910 -19.115 -6.543 -18.306 1.00 0.00 H new ATOM 0 HB3 MET A 910 -19.302 -7.378 -19.835 1.00 0.00 H new ATOM 0 HG2 MET A 910 -21.736 -6.921 -19.791 1.00 0.00 H new ATOM 0 HG3 MET A 910 -21.556 -6.094 -18.257 1.00 0.00 H new ATOM 0 HE1 MET A 910 -22.243 -3.018 -20.485 1.00 0.00 H new ATOM 0 HE2 MET A 910 -23.027 -4.616 -20.491 1.00 0.00 H new ATOM 0 HE3 MET A 910 -22.579 -3.851 -18.948 1.00 0.00 H new ATOM 939 N SER A 911 -18.319 -10.176 -18.738 1.00 0.00 N ATOM 940 CA SER A 911 -17.017 -10.875 -18.670 1.00 0.00 C ATOM 941 C SER A 911 -15.875 -9.965 -19.113 1.00 0.00 C ATOM 942 O SER A 911 -16.096 -9.028 -19.878 1.00 0.00 O ATOM 943 CB SER A 911 -16.984 -12.148 -19.523 1.00 0.00 C ATOM 944 OG SER A 911 -18.220 -12.847 -19.476 1.00 0.00 O ATOM 0 H SER A 911 -18.967 -10.586 -19.411 1.00 0.00 H new ATOM 0 HA SER A 911 -16.888 -11.154 -17.624 1.00 0.00 H new ATOM 0 HB2 SER A 911 -16.753 -11.887 -20.556 1.00 0.00 H new ATOM 0 HB3 SER A 911 -16.184 -12.800 -19.172 1.00 0.00 H new ATOM 0 HG SER A 911 -18.162 -13.652 -20.033 1.00 0.00 H new ATOM 950 N ASN A 912 -14.650 -10.236 -18.664 1.00 0.00 N ATOM 951 CA ASN A 912 -13.539 -9.265 -18.726 1.00 0.00 C ATOM 952 C ASN A 912 -13.226 -8.818 -20.168 1.00 0.00 C ATOM 953 O ASN A 912 -12.896 -7.655 -20.392 1.00 0.00 O ATOM 954 CB ASN A 912 -12.272 -9.817 -18.034 1.00 0.00 C ATOM 955 CG ASN A 912 -12.425 -10.164 -16.561 1.00 0.00 C ATOM 956 OD1 ASN A 912 -13.510 -10.336 -16.028 1.00 0.00 O ATOM 957 ND2 ASN A 912 -11.344 -10.248 -15.829 1.00 0.00 N ATOM 0 H ASN A 912 -14.392 -11.130 -18.247 1.00 0.00 H new ATOM 0 HA ASN A 912 -13.869 -8.380 -18.182 1.00 0.00 H new ATOM 0 HB2 ASN A 912 -11.949 -10.711 -18.568 1.00 0.00 H new ATOM 0 HB3 ASN A 912 -11.475 -9.080 -18.134 1.00 0.00 H new ATOM 0 HD21 ASN A 912 -11.417 -10.454 -14.833 1.00 0.00 H new ATOM 0 HD22 ASN A 912 -10.428 -10.108 -16.255 1.00 0.00 H new ATOM 964 N GLU A 913 -13.389 -9.727 -21.135 1.00 0.00 N ATOM 965 CA GLU A 913 -13.194 -9.486 -22.577 1.00 0.00 C ATOM 966 C GLU A 913 -14.389 -8.792 -23.273 1.00 0.00 C ATOM 967 O GLU A 913 -14.281 -8.353 -24.418 1.00 0.00 O ATOM 968 CB GLU A 913 -12.889 -10.820 -23.278 1.00 0.00 C ATOM 969 CG GLU A 913 -11.591 -11.474 -22.776 1.00 0.00 C ATOM 970 CD GLU A 913 -11.199 -12.709 -23.618 1.00 0.00 C ATOM 971 OE1 GLU A 913 -12.034 -13.631 -23.800 1.00 0.00 O ATOM 972 OE2 GLU A 913 -10.039 -12.784 -24.093 1.00 0.00 O1- ATOM 0 H GLU A 913 -13.670 -10.686 -20.933 1.00 0.00 H new ATOM 0 HA GLU A 913 -12.356 -8.795 -22.662 1.00 0.00 H new ATOM 0 HB2 GLU A 913 -13.721 -11.506 -23.120 1.00 0.00 H new ATOM 0 HB3 GLU A 913 -12.814 -10.652 -24.352 1.00 0.00 H new ATOM 0 HG2 GLU A 913 -10.782 -10.744 -22.806 1.00 0.00 H new ATOM 0 HG3 GLU A 913 -11.714 -11.770 -21.734 1.00 0.00 H new ATOM 979 N GLU A 914 -15.541 -8.694 -22.601 1.00 0.00 N ATOM 980 CA GLU A 914 -16.722 -7.936 -23.035 1.00 0.00 C ATOM 981 C GLU A 914 -16.709 -6.512 -22.457 1.00 0.00 C ATOM 982 O GLU A 914 -16.947 -5.551 -23.193 1.00 0.00 O ATOM 983 CB GLU A 914 -18.016 -8.657 -22.609 1.00 0.00 C ATOM 984 CG GLU A 914 -18.136 -10.116 -23.080 1.00 0.00 C ATOM 985 CD GLU A 914 -18.043 -10.296 -24.613 1.00 0.00 C ATOM 986 OE1 GLU A 914 -18.638 -9.493 -25.373 1.00 0.00 O ATOM 987 OE2 GLU A 914 -17.412 -11.281 -25.072 1.00 0.00 O1- ATOM 0 H GLU A 914 -15.683 -9.159 -21.704 1.00 0.00 H new ATOM 0 HA GLU A 914 -16.691 -7.870 -24.123 1.00 0.00 H new ATOM 0 HB2 GLU A 914 -18.084 -8.636 -21.521 1.00 0.00 H new ATOM 0 HB3 GLU A 914 -18.869 -8.097 -22.992 1.00 0.00 H new ATOM 0 HG2 GLU A 914 -17.349 -10.704 -22.608 1.00 0.00 H new ATOM 0 HG3 GLU A 914 -19.087 -10.521 -22.735 1.00 0.00 H new ATOM 994 N ILE A 915 -16.391 -6.350 -21.161 1.00 0.00 N ATOM 995 CA ILE A 915 -16.281 -5.024 -20.537 1.00 0.00 C ATOM 996 C ILE A 915 -15.116 -4.210 -21.129 1.00 0.00 C ATOM 997 O ILE A 915 -15.311 -3.096 -21.609 1.00 0.00 O ATOM 998 CB ILE A 915 -16.291 -5.079 -18.981 1.00 0.00 C ATOM 999 CG1 ILE A 915 -15.952 -3.721 -18.346 1.00 0.00 C ATOM 1000 CG2 ILE A 915 -15.379 -6.123 -18.316 1.00 0.00 C ATOM 1001 CD1 ILE A 915 -16.857 -2.611 -18.860 1.00 0.00 C ATOM 0 H ILE A 915 -16.205 -7.125 -20.525 1.00 0.00 H new ATOM 0 HA ILE A 915 -17.188 -4.475 -20.792 1.00 0.00 H new ATOM 0 HB ILE A 915 -17.321 -5.380 -18.788 1.00 0.00 H new ATOM 0 HG12 ILE A 915 -16.046 -3.794 -17.263 1.00 0.00 H new ATOM 0 HG13 ILE A 915 -14.913 -3.470 -18.559 1.00 0.00 H new ATOM 0 HG21 ILE A 915 -15.480 -6.057 -17.233 1.00 0.00 H new ATOM 0 HG22 ILE A 915 -15.667 -7.121 -18.647 1.00 0.00 H new ATOM 0 HG23 ILE A 915 -14.343 -5.932 -18.596 1.00 0.00 H new ATOM 0 HD11 ILE A 915 -16.583 -1.669 -18.385 1.00 0.00 H new ATOM 0 HD12 ILE A 915 -16.743 -2.520 -19.940 1.00 0.00 H new ATOM 0 HD13 ILE A 915 -17.894 -2.848 -18.623 1.00 0.00 H new ATOM 1013 N ASN A 916 -13.902 -4.747 -21.151 1.00 0.00 N ATOM 1014 CA ASN A 916 -12.732 -4.007 -21.653 1.00 0.00 C ATOM 1015 C ASN A 916 -12.909 -3.484 -23.104 1.00 0.00 C ATOM 1016 O ASN A 916 -12.417 -2.407 -23.435 1.00 0.00 O ATOM 1017 CB ASN A 916 -11.452 -4.850 -21.456 1.00 0.00 C ATOM 1018 CG ASN A 916 -11.273 -6.037 -22.402 1.00 0.00 C ATOM 1019 OD1 ASN A 916 -12.126 -6.397 -23.195 1.00 0.00 O ATOM 1020 ND2 ASN A 916 -10.140 -6.698 -22.365 1.00 0.00 N ATOM 0 H ASN A 916 -13.694 -5.692 -20.829 1.00 0.00 H new ATOM 0 HA ASN A 916 -12.630 -3.099 -21.058 1.00 0.00 H new ATOM 0 HB2 ASN A 916 -10.589 -4.193 -21.564 1.00 0.00 H new ATOM 0 HB3 ASN A 916 -11.442 -5.224 -20.432 1.00 0.00 H new ATOM 0 HD21 ASN A 916 -9.991 -7.490 -22.990 1.00 0.00 H new ATOM 0 HD22 ASN A 916 -9.408 -6.419 -21.712 1.00 0.00 H new ATOM 1027 N GLU A 917 -13.690 -4.180 -23.932 1.00 0.00 N ATOM 1028 CA GLU A 917 -14.149 -3.751 -25.259 1.00 0.00 C ATOM 1029 C GLU A 917 -15.189 -2.609 -25.234 1.00 0.00 C ATOM 1030 O GLU A 917 -15.162 -1.740 -26.106 1.00 0.00 O ATOM 1031 CB GLU A 917 -14.730 -4.963 -26.000 1.00 0.00 C ATOM 1032 CG GLU A 917 -13.652 -5.693 -26.820 1.00 0.00 C ATOM 1033 CD GLU A 917 -14.186 -6.860 -27.685 1.00 0.00 C ATOM 1034 OE1 GLU A 917 -15.398 -6.914 -28.016 1.00 0.00 O ATOM 1035 OE2 GLU A 917 -13.368 -7.715 -28.109 1.00 0.00 O1- ATOM 0 H GLU A 917 -14.039 -5.106 -23.685 1.00 0.00 H new ATOM 0 HA GLU A 917 -13.278 -3.347 -25.774 1.00 0.00 H new ATOM 0 HB2 GLU A 917 -15.171 -5.653 -25.281 1.00 0.00 H new ATOM 0 HB3 GLU A 917 -15.532 -4.636 -26.661 1.00 0.00 H new ATOM 0 HG2 GLU A 917 -13.157 -4.972 -27.471 1.00 0.00 H new ATOM 0 HG3 GLU A 917 -12.894 -6.079 -26.138 1.00 0.00 H new ATOM 1042 N GLU A 918 -16.085 -2.575 -24.244 1.00 0.00 N ATOM 1043 CA GLU A 918 -17.055 -1.483 -24.032 1.00 0.00 C ATOM 1044 C GLU A 918 -16.369 -0.150 -23.682 1.00 0.00 C ATOM 1045 O GLU A 918 -16.790 0.914 -24.143 1.00 0.00 O ATOM 1046 CB GLU A 918 -18.065 -1.860 -22.923 1.00 0.00 C ATOM 1047 CG GLU A 918 -19.367 -1.045 -22.983 1.00 0.00 C ATOM 1048 CD GLU A 918 -20.268 -1.468 -24.167 1.00 0.00 C ATOM 1049 OE1 GLU A 918 -20.060 -0.982 -25.306 1.00 0.00 O ATOM 1050 OE2 GLU A 918 -21.214 -2.267 -23.962 1.00 0.00 O1- ATOM 0 H GLU A 918 -16.163 -3.318 -23.550 1.00 0.00 H new ATOM 0 HA GLU A 918 -17.584 -1.344 -24.975 1.00 0.00 H new ATOM 0 HB2 GLU A 918 -18.304 -2.920 -23.004 1.00 0.00 H new ATOM 0 HB3 GLU A 918 -17.597 -1.713 -21.950 1.00 0.00 H new ATOM 0 HG2 GLU A 918 -19.915 -1.170 -22.049 1.00 0.00 H new ATOM 0 HG3 GLU A 918 -19.127 0.014 -23.072 1.00 0.00 H new ATOM 1057 N LEU A 919 -15.288 -0.200 -22.893 1.00 0.00 N ATOM 1058 CA LEU A 919 -14.417 0.953 -22.625 1.00 0.00 C ATOM 1059 C LEU A 919 -13.456 1.239 -23.797 1.00 0.00 C ATOM 1060 O LEU A 919 -13.143 2.398 -24.077 1.00 0.00 O ATOM 1061 CB LEU A 919 -13.618 0.666 -21.347 1.00 0.00 C ATOM 1062 CG LEU A 919 -14.477 0.652 -20.066 1.00 0.00 C ATOM 1063 CD1 LEU A 919 -14.154 -0.598 -19.262 1.00 0.00 C ATOM 1064 CD2 LEU A 919 -14.188 1.869 -19.210 1.00 0.00 C ATOM 0 H LEU A 919 -14.990 -1.052 -22.417 1.00 0.00 H new ATOM 0 HA LEU A 919 -15.039 1.840 -22.502 1.00 0.00 H new ATOM 0 HB2 LEU A 919 -13.120 -0.298 -21.450 1.00 0.00 H new ATOM 0 HB3 LEU A 919 -12.837 1.419 -21.241 1.00 0.00 H new ATOM 0 HG LEU A 919 -15.528 0.663 -20.354 1.00 0.00 H new ATOM 0 HD11 LEU A 919 -14.758 -0.613 -18.355 1.00 0.00 H new ATOM 0 HD12 LEU A 919 -14.374 -1.482 -19.860 1.00 0.00 H new ATOM 0 HD13 LEU A 919 -13.097 -0.595 -18.994 1.00 0.00 H new ATOM 0 HD21 LEU A 919 -14.805 1.837 -18.312 1.00 0.00 H new ATOM 0 HD22 LEU A 919 -13.135 1.873 -18.927 1.00 0.00 H new ATOM 0 HD23 LEU A 919 -14.415 2.773 -19.775 1.00 0.00 H new ATOM 1076 N GLY A 920 -12.993 0.185 -24.476 1.00 0.00 N ATOM 1077 CA GLY A 920 -12.054 0.239 -25.604 1.00 0.00 C ATOM 1078 C GLY A 920 -10.583 0.258 -25.165 1.00 0.00 C ATOM 1079 O GLY A 920 -9.803 1.082 -25.650 1.00 0.00 O ATOM 0 H GLY A 920 -13.273 -0.769 -24.246 1.00 0.00 H new ATOM 0 HA2 GLY A 920 -12.223 -0.622 -26.250 1.00 0.00 H new ATOM 0 HA3 GLY A 920 -12.261 1.129 -26.198 1.00 0.00 H new ATOM 1083 N ILE A 921 -10.219 -0.606 -24.210 1.00 0.00 N ATOM 1084 CA ILE A 921 -8.951 -0.566 -23.453 1.00 0.00 C ATOM 1085 C ILE A 921 -8.274 -1.943 -23.316 1.00 0.00 C ATOM 1086 O ILE A 921 -8.881 -2.991 -23.536 1.00 0.00 O ATOM 1087 CB ILE A 921 -9.177 0.065 -22.059 1.00 0.00 C ATOM 1088 CG1 ILE A 921 -10.084 -0.834 -21.189 1.00 0.00 C ATOM 1089 CG2 ILE A 921 -9.697 1.508 -22.172 1.00 0.00 C ATOM 1090 CD1 ILE A 921 -10.244 -0.334 -19.756 1.00 0.00 C ATOM 0 H ILE A 921 -10.818 -1.383 -23.929 1.00 0.00 H new ATOM 0 HA ILE A 921 -8.267 0.055 -24.031 1.00 0.00 H new ATOM 0 HB ILE A 921 -8.215 0.129 -21.551 1.00 0.00 H new ATOM 0 HG12 ILE A 921 -11.068 -0.902 -21.654 1.00 0.00 H new ATOM 0 HG13 ILE A 921 -9.671 -1.842 -21.169 1.00 0.00 H new ATOM 0 HG21 ILE A 921 -9.845 1.921 -21.174 1.00 0.00 H new ATOM 0 HG22 ILE A 921 -8.971 2.115 -22.712 1.00 0.00 H new ATOM 0 HG23 ILE A 921 -10.645 1.512 -22.710 1.00 0.00 H new ATOM 0 HD11 ILE A 921 -10.893 -1.014 -19.204 1.00 0.00 H new ATOM 0 HD12 ILE A 921 -9.267 -0.293 -19.274 1.00 0.00 H new ATOM 0 HD13 ILE A 921 -10.686 0.662 -19.765 1.00 0.00 H new ATOM 1262 N GLN B 5 -14.013 3.477 -15.834 1.00 0.00 N ATOM 1263 CA GLN B 5 -15.429 3.835 -15.935 1.00 0.00 C ATOM 1264 C GLN B 5 -15.927 3.972 -17.381 1.00 0.00 C ATOM 1265 O GLN B 5 -15.336 4.650 -18.220 1.00 0.00 O ATOM 1266 CB GLN B 5 -15.751 5.075 -15.091 1.00 0.00 C ATOM 1267 CG GLN B 5 -15.207 6.449 -15.525 1.00 0.00 C ATOM 1268 CD GLN B 5 -13.772 6.774 -15.099 1.00 0.00 C ATOM 1269 OE1 GLN B 5 -13.382 8.024 -15.192 1.00 0.00 O flip ATOM 1270 NE2 GLN B 5 -12.974 5.937 -14.694 1.00 0.00 N flip ATOM 0 HA GLN B 5 -15.986 2.995 -15.520 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -16.836 5.157 -15.032 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -15.390 4.885 -14.080 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -15.264 6.512 -16.612 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -15.866 7.220 -15.125 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -13.256 4.960 -14.614 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -12.028 6.217 -14.437 1.00 0.00 H new ATOM 1279 N THR B 6 -17.022 3.265 -17.654 1.00 0.00 N ATOM 1280 CA THR B 6 -17.618 3.031 -18.982 1.00 0.00 C ATOM 1281 C THR B 6 -18.117 4.296 -19.683 1.00 0.00 C ATOM 1282 O THR B 6 -18.899 5.074 -19.137 1.00 0.00 O ATOM 1283 CB THR B 6 -18.761 2.002 -18.891 1.00 0.00 C ATOM 1284 OG1 THR B 6 -19.456 2.085 -17.657 1.00 0.00 O ATOM 1285 CG2 THR B 6 -18.229 0.588 -19.052 1.00 0.00 C ATOM 0 H THR B 6 -17.555 2.809 -16.913 1.00 0.00 H new ATOM 0 HA THR B 6 -16.806 2.642 -19.596 1.00 0.00 H new ATOM 0 HB THR B 6 -19.452 2.237 -19.700 1.00 0.00 H new ATOM 0 HG1 THR B 6 -19.651 3.024 -17.454 1.00 0.00 H new ATOM 0 HG21 THR B 6 -19.054 -0.121 -18.984 1.00 0.00 H new ATOM 0 HG22 THR B 6 -17.745 0.490 -20.024 1.00 0.00 H new ATOM 0 HG23 THR B 6 -17.506 0.379 -18.264 1.00 0.00 H new