USER MOD reduce.3.24.130724 H: found=0, std=0, add=436, rem=0, adj=13 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 868 CYS SG : rot 180:sc= 0.282 USER MOD Set 1.2: A 871 CYS SG : rot 180:sc= 0 USER MOD Set 1.3: A 873 LYS NZ :NH3+ -172:sc= 1.4 (180deg=1.34) USER MOD Set 1.4: A 893 CYS SG : rot 112:sc= -2.06! USER MOD Set 1.5: A 904 CYS SG : rot 180:sc= -0.0775 USER MOD Single : A 863 SER OG : rot -31:sc= 0.51 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= 2.34 K(o=2.3,f=-0.0065) USER MOD Single : A 896 ASN : amide:sc=-0.00902 X(o=-0.009,f=-0.32) 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 75:sc= 0.0499 USER MOD Single : A 908 GLN : amide:sc= 1.75 K(o=1.8,f=-4.2!) USER MOD Single : A 910 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 911 SER OG : rot 180:sc= 0.00105 USER MOD Single : A 912 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 916 ASN : amide:sc= -0.108 K(o=-0.11,f=-4.4!) USER MOD Single : B 5 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : B 6 THR OG1 : rot 160:sc= 0.141 USER MOD ----------------------------------------------------------------- ATOM 188 N SER A 863 -21.647 5.839 -13.118 1.00 0.00 N ATOM 189 CA SER A 863 -21.229 4.520 -12.635 1.00 0.00 C ATOM 190 C SER A 863 -19.890 4.127 -13.273 1.00 0.00 C ATOM 191 O SER A 863 -19.528 4.624 -14.342 1.00 0.00 O ATOM 192 CB SER A 863 -22.328 3.470 -12.872 1.00 0.00 C ATOM 193 OG SER A 863 -22.559 3.202 -14.246 1.00 0.00 O ATOM 0 HA SER A 863 -21.077 4.566 -11.557 1.00 0.00 H new ATOM 0 HB2 SER A 863 -22.050 2.543 -12.370 1.00 0.00 H new ATOM 0 HB3 SER A 863 -23.255 3.815 -12.415 1.00 0.00 H new ATOM 0 HG SER A 863 -22.377 4.009 -14.772 1.00 0.00 H new ATOM 199 N ALA A 864 -19.131 3.268 -12.596 1.00 0.00 N ATOM 200 CA ALA A 864 -17.800 2.819 -13.021 1.00 0.00 C ATOM 201 C ALA A 864 -17.541 1.368 -12.584 1.00 0.00 C ATOM 202 O ALA A 864 -18.400 0.757 -11.952 1.00 0.00 O ATOM 203 CB ALA A 864 -16.766 3.788 -12.430 1.00 0.00 C ATOM 0 H ALA A 864 -19.429 2.852 -11.714 1.00 0.00 H new ATOM 0 HA ALA A 864 -17.726 2.827 -14.108 1.00 0.00 H new ATOM 0 HB1 ALA A 864 -15.765 3.479 -12.730 1.00 0.00 H new ATOM 0 HB2 ALA A 864 -16.960 4.796 -12.798 1.00 0.00 H new ATOM 0 HB3 ALA A 864 -16.838 3.778 -11.342 1.00 0.00 H new ATOM 209 N TRP A 865 -16.385 0.787 -12.906 1.00 0.00 N ATOM 210 CA TRP A 865 -15.984 -0.519 -12.352 1.00 0.00 C ATOM 211 C TRP A 865 -15.043 -0.422 -11.136 1.00 0.00 C ATOM 212 O TRP A 865 -14.633 0.666 -10.730 1.00 0.00 O ATOM 213 CB TRP A 865 -15.444 -1.390 -13.485 1.00 0.00 C ATOM 214 CG TRP A 865 -16.455 -1.639 -14.563 1.00 0.00 C ATOM 215 CD1 TRP A 865 -16.868 -0.743 -15.486 1.00 0.00 C ATOM 216 CD2 TRP A 865 -17.242 -2.840 -14.802 1.00 0.00 C ATOM 217 NE1 TRP A 865 -17.889 -1.283 -16.241 1.00 0.00 N ATOM 218 CE2 TRP A 865 -18.119 -2.603 -15.901 1.00 0.00 C ATOM 219 CE3 TRP A 865 -17.267 -4.121 -14.216 1.00 0.00 C ATOM 220 CZ2 TRP A 865 -18.943 -3.612 -16.423 1.00 0.00 C ATOM 221 CZ3 TRP A 865 -18.070 -5.148 -14.743 1.00 0.00 C ATOM 222 CH2 TRP A 865 -18.891 -4.898 -15.856 1.00 0.00 C ATOM 0 H TRP A 865 -15.705 1.196 -13.547 1.00 0.00 H new ATOM 0 HA TRP A 865 -16.867 -1.002 -11.933 1.00 0.00 H new ATOM 0 HB2 TRP A 865 -14.568 -0.909 -13.920 1.00 0.00 H new ATOM 0 HB3 TRP A 865 -15.114 -2.345 -13.076 1.00 0.00 H new ATOM 0 HD1 TRP A 865 -16.460 0.249 -15.614 1.00 0.00 H new ATOM 0 HE1 TRP A 865 -18.407 -0.774 -16.957 1.00 0.00 H new ATOM 0 HE3 TRP A 865 -16.658 -4.318 -13.346 1.00 0.00 H new ATOM 0 HZ2 TRP A 865 -19.608 -3.404 -17.248 1.00 0.00 H new ATOM 0 HZ3 TRP A 865 -18.056 -6.129 -14.292 1.00 0.00 H new ATOM 0 HH2 TRP A 865 -19.484 -5.696 -16.277 1.00 0.00 H new ATOM 233 N VAL A 866 -14.728 -1.578 -10.539 1.00 0.00 N ATOM 234 CA VAL A 866 -13.673 -1.800 -9.527 1.00 0.00 C ATOM 235 C VAL A 866 -13.153 -3.246 -9.616 1.00 0.00 C ATOM 236 O VAL A 866 -13.939 -4.155 -9.899 1.00 0.00 O ATOM 237 CB VAL A 866 -14.191 -1.440 -8.114 1.00 0.00 C ATOM 238 CG1 VAL A 866 -15.387 -2.295 -7.689 1.00 0.00 C ATOM 239 CG2 VAL A 866 -13.119 -1.554 -7.025 1.00 0.00 C ATOM 0 H VAL A 866 -15.229 -2.439 -10.759 1.00 0.00 H new ATOM 0 HA VAL A 866 -12.830 -1.139 -9.730 1.00 0.00 H new ATOM 0 HB VAL A 866 -14.496 -0.397 -8.205 1.00 0.00 H new ATOM 0 HG11 VAL A 866 -15.709 -2.000 -6.690 1.00 0.00 H new ATOM 0 HG12 VAL A 866 -16.207 -2.149 -8.392 1.00 0.00 H new ATOM 0 HG13 VAL A 866 -15.098 -3.346 -7.681 1.00 0.00 H new ATOM 0 HG21 VAL A 866 -13.551 -1.287 -6.060 1.00 0.00 H new ATOM 0 HG22 VAL A 866 -12.748 -2.578 -6.986 1.00 0.00 H new ATOM 0 HG23 VAL A 866 -12.295 -0.878 -7.253 1.00 0.00 H new ATOM 249 N ARG A 867 -11.842 -3.473 -9.411 1.00 0.00 N ATOM 250 CA ARG A 867 -11.237 -4.822 -9.294 1.00 0.00 C ATOM 251 C ARG A 867 -11.153 -5.276 -7.832 1.00 0.00 C ATOM 252 O ARG A 867 -10.707 -4.492 -6.988 1.00 0.00 O ATOM 253 CB ARG A 867 -9.832 -4.841 -9.932 1.00 0.00 C ATOM 254 CG ARG A 867 -9.542 -6.096 -10.771 1.00 0.00 C ATOM 255 CD ARG A 867 -8.174 -6.029 -11.456 1.00 0.00 C ATOM 256 NE ARG A 867 -7.046 -6.420 -10.591 1.00 0.00 N ATOM 257 CZ ARG A 867 -6.077 -5.641 -10.176 1.00 0.00 C ATOM 258 NH1 ARG A 867 -6.203 -4.348 -10.102 1.00 0.00 N1+ ATOM 259 NH2 ARG A 867 -4.941 -6.182 -9.865 1.00 0.00 N ATOM 0 H ARG A 867 -11.161 -2.719 -9.320 1.00 0.00 H new ATOM 0 HA ARG A 867 -11.883 -5.519 -9.829 1.00 0.00 H new ATOM 0 HB2 ARG A 867 -9.720 -3.960 -10.564 1.00 0.00 H new ATOM 0 HB3 ARG A 867 -9.085 -4.764 -9.142 1.00 0.00 H new ATOM 0 HG2 ARG A 867 -9.583 -6.977 -10.130 1.00 0.00 H new ATOM 0 HG3 ARG A 867 -10.319 -6.214 -11.526 1.00 0.00 H new ATOM 0 HD2 ARG A 867 -8.187 -6.677 -12.333 1.00 0.00 H new ATOM 0 HD3 ARG A 867 -8.008 -5.013 -11.813 1.00 0.00 H new ATOM 0 HE ARG A 867 -7.017 -7.393 -10.285 1.00 0.00 H new ATOM 0 HH11 ARG A 867 -7.081 -3.905 -10.373 1.00 0.00 H new ATOM 0 HH12 ARG A 867 -5.424 -3.778 -9.773 1.00 0.00 H new ATOM 0 HH21 ARG A 867 -4.818 -7.191 -9.946 1.00 0.00 H new ATOM 0 HH22 ARG A 867 -4.170 -5.598 -9.539 1.00 0.00 H new ATOM 273 N CYS A 868 -11.484 -6.538 -7.550 1.00 0.00 N ATOM 274 CA CYS A 868 -11.265 -7.168 -6.251 1.00 0.00 C ATOM 275 C CYS A 868 -9.753 -7.289 -5.921 1.00 0.00 C ATOM 276 O CYS A 868 -8.988 -7.907 -6.668 1.00 0.00 O ATOM 277 CB CYS A 868 -12.012 -8.516 -6.230 1.00 0.00 C ATOM 278 SG CYS A 868 -11.695 -9.407 -4.660 1.00 0.00 S ATOM 0 H CYS A 868 -11.919 -7.160 -8.232 1.00 0.00 H new ATOM 0 HA CYS A 868 -11.672 -6.543 -5.456 1.00 0.00 H new ATOM 0 HB2 CYS A 868 -13.082 -8.346 -6.348 1.00 0.00 H new ATOM 0 HB3 CYS A 868 -11.691 -9.128 -7.073 1.00 0.00 H new ATOM 0 HG CYS A 868 -12.336 -10.538 -4.666 1.00 0.00 H new ATOM 283 N ASP A 869 -9.336 -6.726 -4.783 1.00 0.00 N ATOM 284 CA ASP A 869 -7.994 -6.881 -4.207 1.00 0.00 C ATOM 285 C ASP A 869 -7.648 -8.329 -3.793 1.00 0.00 C ATOM 286 O ASP A 869 -6.470 -8.635 -3.601 1.00 0.00 O ATOM 287 CB ASP A 869 -7.843 -5.934 -3.000 1.00 0.00 C ATOM 288 CG ASP A 869 -7.528 -4.491 -3.423 1.00 0.00 C ATOM 289 OD1 ASP A 869 -8.465 -3.684 -3.630 1.00 0.00 O ATOM 290 OD2 ASP A 869 -6.326 -4.161 -3.549 1.00 0.00 O1- ATOM 0 H ASP A 869 -9.942 -6.130 -4.218 1.00 0.00 H new ATOM 0 HA ASP A 869 -7.286 -6.621 -4.994 1.00 0.00 H new ATOM 0 HB2 ASP A 869 -8.763 -5.946 -2.415 1.00 0.00 H new ATOM 0 HB3 ASP A 869 -7.048 -6.301 -2.351 1.00 0.00 H new ATOM 295 N ASP A 870 -8.625 -9.232 -3.661 1.00 0.00 N ATOM 296 CA ASP A 870 -8.406 -10.645 -3.301 1.00 0.00 C ATOM 297 C ASP A 870 -8.476 -11.609 -4.511 1.00 0.00 C ATOM 298 O ASP A 870 -7.989 -12.741 -4.425 1.00 0.00 O ATOM 299 CB ASP A 870 -9.396 -11.049 -2.191 1.00 0.00 C ATOM 300 CG ASP A 870 -8.987 -12.330 -1.429 1.00 0.00 C ATOM 301 OD1 ASP A 870 -7.779 -12.542 -1.161 1.00 0.00 O ATOM 302 OD2 ASP A 870 -9.886 -13.104 -1.021 1.00 0.00 O1- ATOM 0 H ASP A 870 -9.609 -9.002 -3.803 1.00 0.00 H new ATOM 0 HA ASP A 870 -7.386 -10.735 -2.928 1.00 0.00 H new ATOM 0 HB2 ASP A 870 -9.486 -10.227 -1.480 1.00 0.00 H new ATOM 0 HB3 ASP A 870 -10.381 -11.198 -2.632 1.00 0.00 H new ATOM 307 N CYS A 871 -9.028 -11.152 -5.644 1.00 0.00 N ATOM 308 CA CYS A 871 -9.124 -11.882 -6.907 1.00 0.00 C ATOM 309 C CYS A 871 -8.391 -11.130 -8.060 1.00 0.00 C ATOM 310 O CYS A 871 -7.165 -11.139 -8.182 1.00 0.00 O ATOM 311 CB CYS A 871 -10.626 -12.150 -7.230 1.00 0.00 C ATOM 312 SG CYS A 871 -11.528 -13.165 -6.034 1.00 0.00 S ATOM 0 H CYS A 871 -9.437 -10.220 -5.703 1.00 0.00 H new ATOM 0 HA CYS A 871 -8.617 -12.842 -6.809 1.00 0.00 H new ATOM 0 HB2 CYS A 871 -11.135 -11.190 -7.318 1.00 0.00 H new ATOM 0 HB3 CYS A 871 -10.686 -12.633 -8.205 1.00 0.00 H new ATOM 0 HG CYS A 871 -12.760 -13.305 -6.425 1.00 0.00 H new ATOM 317 N PHE A 872 -9.229 -10.555 -8.923 1.00 0.00 N ATOM 318 CA PHE A 872 -9.052 -9.955 -10.254 1.00 0.00 C ATOM 319 C PHE A 872 -10.447 -9.688 -10.876 1.00 0.00 C ATOM 320 O PHE A 872 -10.570 -8.888 -11.802 1.00 0.00 O ATOM 321 CB PHE A 872 -8.274 -10.887 -11.200 1.00 0.00 C ATOM 322 CG PHE A 872 -8.918 -12.239 -11.466 1.00 0.00 C ATOM 323 CD1 PHE A 872 -9.858 -12.383 -12.506 1.00 0.00 C ATOM 324 CD2 PHE A 872 -8.587 -13.354 -10.672 1.00 0.00 C ATOM 325 CE1 PHE A 872 -10.476 -13.625 -12.735 1.00 0.00 C ATOM 326 CE2 PHE A 872 -9.206 -14.596 -10.900 1.00 0.00 C ATOM 327 CZ PHE A 872 -10.153 -14.732 -11.931 1.00 0.00 C ATOM 0 H PHE A 872 -10.212 -10.488 -8.660 1.00 0.00 H new ATOM 0 HA PHE A 872 -8.487 -9.031 -10.132 1.00 0.00 H new ATOM 0 HB2 PHE A 872 -8.137 -10.376 -12.153 1.00 0.00 H new ATOM 0 HB3 PHE A 872 -7.281 -11.053 -10.782 1.00 0.00 H new ATOM 0 HD1 PHE A 872 -10.105 -11.536 -13.129 1.00 0.00 H new ATOM 0 HD2 PHE A 872 -7.855 -13.255 -9.885 1.00 0.00 H new ATOM 0 HE1 PHE A 872 -11.200 -13.729 -13.530 1.00 0.00 H new ATOM 0 HE2 PHE A 872 -8.954 -15.446 -10.283 1.00 0.00 H new ATOM 0 HZ PHE A 872 -10.631 -15.685 -12.105 1.00 0.00 H new ATOM 337 N LYS A 873 -11.491 -10.361 -10.349 1.00 0.00 N ATOM 338 CA LYS A 873 -12.932 -10.134 -10.555 1.00 0.00 C ATOM 339 C LYS A 873 -13.266 -8.642 -10.647 1.00 0.00 C ATOM 340 O LYS A 873 -12.785 -7.845 -9.839 1.00 0.00 O ATOM 341 CB LYS A 873 -13.700 -10.774 -9.368 1.00 0.00 C ATOM 342 CG LYS A 873 -14.861 -11.704 -9.736 1.00 0.00 C ATOM 343 CD LYS A 873 -16.159 -10.949 -10.011 1.00 0.00 C ATOM 344 CE LYS A 873 -16.879 -10.512 -8.729 1.00 0.00 C ATOM 345 NZ LYS A 873 -17.701 -11.594 -8.126 1.00 0.00 N1+ ATOM 0 H LYS A 873 -11.331 -11.144 -9.715 1.00 0.00 H new ATOM 0 HA LYS A 873 -13.229 -10.590 -11.500 1.00 0.00 H new ATOM 0 HB2 LYS A 873 -12.989 -11.337 -8.763 1.00 0.00 H new ATOM 0 HB3 LYS A 873 -14.089 -9.973 -8.740 1.00 0.00 H new ATOM 0 HG2 LYS A 873 -14.590 -12.285 -10.618 1.00 0.00 H new ATOM 0 HG3 LYS A 873 -15.024 -12.413 -8.925 1.00 0.00 H new ATOM 0 HD2 LYS A 873 -15.940 -10.069 -10.617 1.00 0.00 H new ATOM 0 HD3 LYS A 873 -16.825 -11.582 -10.597 1.00 0.00 H new ATOM 0 HE2 LYS A 873 -16.141 -10.176 -8.001 1.00 0.00 H new ATOM 0 HE3 LYS A 873 -17.519 -9.658 -8.952 1.00 0.00 H new ATOM 0 HZ1 LYS A 873 -18.267 -11.205 -7.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 873 -18.334 -11.992 -8.848 1.00 0.00 H new ATOM 0 HZ3 LYS A 873 -17.077 -12.342 -7.762 1.00 0.00 H new ATOM 359 N TRP A 874 -14.126 -8.287 -11.596 1.00 0.00 N ATOM 360 CA TRP A 874 -14.629 -6.924 -11.792 1.00 0.00 C ATOM 361 C TRP A 874 -16.057 -6.773 -11.258 1.00 0.00 C ATOM 362 O TRP A 874 -16.814 -7.741 -11.212 1.00 0.00 O ATOM 363 CB TRP A 874 -14.532 -6.542 -13.276 1.00 0.00 C ATOM 364 CG TRP A 874 -13.147 -6.577 -13.836 1.00 0.00 C ATOM 365 CD1 TRP A 874 -12.597 -7.578 -14.564 1.00 0.00 C ATOM 366 CD2 TRP A 874 -12.090 -5.589 -13.651 1.00 0.00 C ATOM 367 NE1 TRP A 874 -11.282 -7.271 -14.854 1.00 0.00 N ATOM 368 CE2 TRP A 874 -10.918 -6.075 -14.295 1.00 0.00 C ATOM 369 CE3 TRP A 874 -11.989 -4.341 -12.997 1.00 0.00 C ATOM 370 CZ2 TRP A 874 -9.708 -5.389 -14.287 1.00 0.00 C ATOM 371 CZ3 TRP A 874 -10.755 -3.660 -12.961 1.00 0.00 C ATOM 372 CH2 TRP A 874 -9.624 -4.152 -13.625 1.00 0.00 C ATOM 0 H TRP A 874 -14.505 -8.953 -12.269 1.00 0.00 H new ATOM 0 HA TRP A 874 -14.007 -6.236 -11.220 1.00 0.00 H new ATOM 0 HB2 TRP A 874 -15.161 -7.219 -13.854 1.00 0.00 H new ATOM 0 HB3 TRP A 874 -14.938 -5.539 -13.407 1.00 0.00 H new ATOM 0 HD1 TRP A 874 -13.108 -8.478 -14.871 1.00 0.00 H new ATOM 0 HE1 TRP A 874 -10.663 -7.859 -15.412 1.00 0.00 H new ATOM 0 HE3 TRP A 874 -12.858 -3.908 -12.524 1.00 0.00 H new ATOM 0 HZ2 TRP A 874 -8.843 -5.802 -14.784 1.00 0.00 H new ATOM 0 HZ3 TRP A 874 -10.680 -2.736 -12.407 1.00 0.00 H new ATOM 0 HH2 TRP A 874 -8.702 -3.590 -13.628 1.00 0.00 H new ATOM 383 N ARG A 875 -16.460 -5.551 -10.900 1.00 0.00 N ATOM 384 CA ARG A 875 -17.849 -5.208 -10.549 1.00 0.00 C ATOM 385 C ARG A 875 -18.183 -3.791 -10.983 1.00 0.00 C ATOM 386 O ARG A 875 -17.400 -2.879 -10.738 1.00 0.00 O ATOM 387 CB ARG A 875 -18.086 -5.366 -9.032 1.00 0.00 C ATOM 388 CG ARG A 875 -18.475 -6.791 -8.597 1.00 0.00 C ATOM 389 CD ARG A 875 -19.733 -7.349 -9.279 1.00 0.00 C ATOM 390 NE ARG A 875 -20.874 -6.404 -9.224 1.00 0.00 N ATOM 391 CZ ARG A 875 -21.860 -6.318 -10.101 1.00 0.00 C ATOM 392 NH1 ARG A 875 -22.067 -7.209 -11.019 1.00 0.00 N1+ ATOM 393 NH2 ARG A 875 -22.691 -5.329 -10.101 1.00 0.00 N ATOM 0 H ARG A 875 -15.823 -4.756 -10.844 1.00 0.00 H new ATOM 0 HA ARG A 875 -18.506 -5.898 -11.079 1.00 0.00 H new ATOM 0 HB2 ARG A 875 -17.180 -5.071 -8.502 1.00 0.00 H new ATOM 0 HB3 ARG A 875 -18.873 -4.677 -8.725 1.00 0.00 H new ATOM 0 HG2 ARG A 875 -17.639 -7.460 -8.803 1.00 0.00 H new ATOM 0 HG3 ARG A 875 -18.630 -6.797 -7.518 1.00 0.00 H new ATOM 0 HD2 ARG A 875 -19.506 -7.580 -10.320 1.00 0.00 H new ATOM 0 HD3 ARG A 875 -20.017 -8.286 -8.799 1.00 0.00 H new ATOM 0 HE ARG A 875 -20.901 -5.759 -8.435 1.00 0.00 H new ATOM 0 HH11 ARG A 875 -21.455 -8.022 -11.088 1.00 0.00 H new ATOM 0 HH12 ARG A 875 -22.842 -7.097 -11.673 1.00 0.00 H new ATOM 0 HH21 ARG A 875 -22.597 -4.584 -9.410 1.00 0.00 H new ATOM 0 HH22 ARG A 875 -23.441 -5.293 -10.792 1.00 0.00 H new ATOM 407 N ARG A 876 -19.347 -3.620 -11.614 1.00 0.00 N ATOM 408 CA ARG A 876 -19.911 -2.327 -12.023 1.00 0.00 C ATOM 409 C ARG A 876 -20.675 -1.716 -10.845 1.00 0.00 C ATOM 410 O ARG A 876 -21.737 -2.199 -10.456 1.00 0.00 O ATOM 411 CB ARG A 876 -20.728 -2.541 -13.311 1.00 0.00 C ATOM 412 CG ARG A 876 -20.863 -1.265 -14.161 1.00 0.00 C ATOM 413 CD ARG A 876 -21.646 -0.155 -13.464 1.00 0.00 C ATOM 414 NE ARG A 876 -22.989 -0.646 -13.097 1.00 0.00 N ATOM 415 CZ ARG A 876 -24.138 -0.303 -13.642 1.00 0.00 C ATOM 416 NH1 ARG A 876 -24.304 0.819 -14.284 1.00 0.00 N1+ ATOM 417 NH2 ARG A 876 -25.142 -1.125 -13.550 1.00 0.00 N ATOM 0 H ARG A 876 -19.947 -4.406 -11.864 1.00 0.00 H new ATOM 0 HA ARG A 876 -19.146 -1.592 -12.274 1.00 0.00 H new ATOM 0 HB2 ARG A 876 -20.255 -3.320 -13.909 1.00 0.00 H new ATOM 0 HB3 ARG A 876 -21.722 -2.901 -13.047 1.00 0.00 H new ATOM 0 HG2 ARG A 876 -19.868 -0.896 -14.411 1.00 0.00 H new ATOM 0 HG3 ARG A 876 -21.356 -1.513 -15.101 1.00 0.00 H new ATOM 0 HD2 ARG A 876 -21.113 0.174 -12.572 1.00 0.00 H new ATOM 0 HD3 ARG A 876 -21.732 0.710 -14.121 1.00 0.00 H new ATOM 0 HE ARG A 876 -23.032 -1.326 -12.338 1.00 0.00 H new ATOM 0 HH11 ARG A 876 -23.526 1.472 -14.380 1.00 0.00 H new ATOM 0 HH12 ARG A 876 -25.212 1.044 -14.691 1.00 0.00 H new ATOM 0 HH21 ARG A 876 -25.030 -2.014 -13.063 1.00 0.00 H new ATOM 0 HH22 ARG A 876 -26.041 -0.880 -13.965 1.00 0.00 H new ATOM 431 N ILE A 877 -20.096 -0.660 -10.284 1.00 0.00 N ATOM 432 CA ILE A 877 -20.508 0.070 -9.079 1.00 0.00 C ATOM 433 C ILE A 877 -21.020 1.476 -9.436 1.00 0.00 C ATOM 434 O ILE A 877 -20.612 2.037 -10.456 1.00 0.00 O ATOM 435 CB ILE A 877 -19.313 0.147 -8.093 1.00 0.00 C ATOM 436 CG1 ILE A 877 -18.119 0.950 -8.674 1.00 0.00 C ATOM 437 CG2 ILE A 877 -18.901 -1.279 -7.684 1.00 0.00 C ATOM 438 CD1 ILE A 877 -16.960 1.191 -7.705 1.00 0.00 C ATOM 0 H ILE A 877 -19.254 -0.254 -10.692 1.00 0.00 H new ATOM 0 HA ILE A 877 -21.330 -0.464 -8.601 1.00 0.00 H new ATOM 0 HB ILE A 877 -19.631 0.694 -7.205 1.00 0.00 H new ATOM 0 HG12 ILE A 877 -17.737 0.421 -9.547 1.00 0.00 H new ATOM 0 HG13 ILE A 877 -18.487 1.915 -9.022 1.00 0.00 H new ATOM 0 HG21 ILE A 877 -18.061 -1.230 -6.991 1.00 0.00 H new ATOM 0 HG22 ILE A 877 -19.742 -1.776 -7.201 1.00 0.00 H new ATOM 0 HG23 ILE A 877 -18.608 -1.841 -8.570 1.00 0.00 H new ATOM 0 HD11 ILE A 877 -16.178 1.760 -8.208 1.00 0.00 H new ATOM 0 HD12 ILE A 877 -17.318 1.751 -6.841 1.00 0.00 H new ATOM 0 HD13 ILE A 877 -16.557 0.234 -7.375 1.00 0.00 H new ATOM 450 N PRO A 878 -21.865 2.112 -8.609 1.00 0.00 N ATOM 451 CA PRO A 878 -22.152 3.533 -8.769 1.00 0.00 C ATOM 452 C PRO A 878 -20.907 4.382 -8.468 1.00 0.00 C ATOM 453 O PRO A 878 -20.102 4.055 -7.592 1.00 0.00 O ATOM 454 CB PRO A 878 -23.304 3.821 -7.801 1.00 0.00 C ATOM 455 CG PRO A 878 -23.082 2.800 -6.684 1.00 0.00 C ATOM 456 CD PRO A 878 -22.528 1.582 -7.424 1.00 0.00 C ATOM 0 HA PRO A 878 -22.430 3.788 -9.792 1.00 0.00 H new ATOM 0 HB2 PRO A 878 -23.269 4.844 -7.425 1.00 0.00 H new ATOM 0 HB3 PRO A 878 -24.275 3.690 -8.279 1.00 0.00 H new ATOM 0 HG2 PRO A 878 -22.381 3.169 -5.936 1.00 0.00 H new ATOM 0 HG3 PRO A 878 -24.010 2.566 -6.163 1.00 0.00 H new ATOM 0 HD2 PRO A 878 -21.828 1.028 -6.798 1.00 0.00 H new ATOM 0 HD3 PRO A 878 -23.327 0.892 -7.697 1.00 0.00 H new ATOM 464 N ALA A 879 -20.769 5.516 -9.156 1.00 0.00 N ATOM 465 CA ALA A 879 -19.668 6.466 -8.960 1.00 0.00 C ATOM 466 C ALA A 879 -19.487 6.984 -7.515 1.00 0.00 C ATOM 467 O ALA A 879 -18.386 7.383 -7.134 1.00 0.00 O ATOM 468 CB ALA A 879 -19.923 7.638 -9.899 1.00 0.00 C ATOM 0 H ALA A 879 -21.429 5.807 -9.877 1.00 0.00 H new ATOM 0 HA ALA A 879 -18.740 5.936 -9.174 1.00 0.00 H new ATOM 0 HB1 ALA A 879 -19.126 8.373 -9.788 1.00 0.00 H new ATOM 0 HB2 ALA A 879 -19.946 7.281 -10.929 1.00 0.00 H new ATOM 0 HB3 ALA A 879 -20.879 8.100 -9.653 1.00 0.00 H new ATOM 474 N SER A 880 -20.528 6.921 -6.679 1.00 0.00 N ATOM 475 CA SER A 880 -20.441 7.247 -5.243 1.00 0.00 C ATOM 476 C SER A 880 -19.493 6.309 -4.481 1.00 0.00 C ATOM 477 O SER A 880 -18.921 6.706 -3.465 1.00 0.00 O ATOM 478 CB SER A 880 -21.830 7.201 -4.591 1.00 0.00 C ATOM 479 OG SER A 880 -22.690 8.187 -5.145 1.00 0.00 O ATOM 0 H SER A 880 -21.463 6.641 -6.977 1.00 0.00 H new ATOM 0 HA SER A 880 -20.035 8.257 -5.181 1.00 0.00 H new ATOM 0 HB2 SER A 880 -22.268 6.213 -4.731 1.00 0.00 H new ATOM 0 HB3 SER A 880 -21.736 7.359 -3.517 1.00 0.00 H new ATOM 0 HG SER A 880 -23.568 8.135 -4.713 1.00 0.00 H new ATOM 485 N VAL A 881 -19.278 5.084 -4.985 1.00 0.00 N ATOM 486 CA VAL A 881 -18.285 4.136 -4.457 1.00 0.00 C ATOM 487 C VAL A 881 -16.935 4.333 -5.132 1.00 0.00 C ATOM 488 O VAL A 881 -15.913 4.326 -4.448 1.00 0.00 O ATOM 489 CB VAL A 881 -18.788 2.680 -4.571 1.00 0.00 C ATOM 490 CG1 VAL A 881 -17.787 1.635 -4.062 1.00 0.00 C ATOM 491 CG2 VAL A 881 -20.079 2.486 -3.764 1.00 0.00 C ATOM 0 H VAL A 881 -19.797 4.719 -5.783 1.00 0.00 H new ATOM 0 HA VAL A 881 -18.147 4.340 -3.395 1.00 0.00 H new ATOM 0 HB VAL A 881 -18.945 2.525 -5.638 1.00 0.00 H new ATOM 0 HG11 VAL A 881 -18.213 0.638 -4.175 1.00 0.00 H new ATOM 0 HG12 VAL A 881 -16.865 1.703 -4.639 1.00 0.00 H new ATOM 0 HG13 VAL A 881 -17.571 1.820 -3.010 1.00 0.00 H new ATOM 0 HG21 VAL A 881 -20.415 1.454 -3.858 1.00 0.00 H new ATOM 0 HG22 VAL A 881 -19.889 2.711 -2.715 1.00 0.00 H new ATOM 0 HG23 VAL A 881 -20.850 3.155 -4.145 1.00 0.00 H new ATOM 501 N VAL A 882 -16.898 4.615 -6.440 1.00 0.00 N ATOM 502 CA VAL A 882 -15.608 4.827 -7.133 1.00 0.00 C ATOM 503 C VAL A 882 -14.873 6.085 -6.641 1.00 0.00 C ATOM 504 O VAL A 882 -13.648 6.165 -6.721 1.00 0.00 O ATOM 505 CB VAL A 882 -15.743 4.788 -8.673 1.00 0.00 C ATOM 506 CG1 VAL A 882 -15.894 6.159 -9.348 1.00 0.00 C ATOM 507 CG2 VAL A 882 -14.512 4.113 -9.294 1.00 0.00 C ATOM 0 H VAL A 882 -17.723 4.702 -7.034 1.00 0.00 H new ATOM 0 HA VAL A 882 -14.980 3.979 -6.862 1.00 0.00 H new ATOM 0 HB VAL A 882 -16.663 4.231 -8.850 1.00 0.00 H new ATOM 0 HG11 VAL A 882 -15.982 6.026 -10.426 1.00 0.00 H new ATOM 0 HG12 VAL A 882 -16.788 6.654 -8.970 1.00 0.00 H new ATOM 0 HG13 VAL A 882 -15.020 6.771 -9.128 1.00 0.00 H new ATOM 0 HG21 VAL A 882 -14.618 4.091 -10.379 1.00 0.00 H new ATOM 0 HG22 VAL A 882 -13.616 4.674 -9.028 1.00 0.00 H new ATOM 0 HG23 VAL A 882 -14.427 3.094 -8.917 1.00 0.00 H new ATOM 517 N GLY A 883 -15.616 7.044 -6.075 1.00 0.00 N ATOM 518 CA GLY A 883 -15.074 8.236 -5.412 1.00 0.00 C ATOM 519 C GLY A 883 -14.589 7.994 -3.973 1.00 0.00 C ATOM 520 O GLY A 883 -13.791 8.777 -3.455 1.00 0.00 O ATOM 0 H GLY A 883 -16.635 7.012 -6.065 1.00 0.00 H new ATOM 0 HA2 GLY A 883 -14.243 8.620 -6.003 1.00 0.00 H new ATOM 0 HA3 GLY A 883 -15.841 9.011 -5.399 1.00 0.00 H new ATOM 524 N SER A 884 -15.049 6.915 -3.328 1.00 0.00 N ATOM 525 CA SER A 884 -14.629 6.492 -1.983 1.00 0.00 C ATOM 526 C SER A 884 -13.397 5.572 -2.020 1.00 0.00 C ATOM 527 O SER A 884 -12.472 5.731 -1.219 1.00 0.00 O ATOM 528 CB SER A 884 -15.808 5.791 -1.293 1.00 0.00 C ATOM 529 OG SER A 884 -15.485 5.409 0.035 1.00 0.00 O ATOM 0 H SER A 884 -15.745 6.292 -3.739 1.00 0.00 H new ATOM 0 HA SER A 884 -14.338 7.378 -1.419 1.00 0.00 H new ATOM 0 HB2 SER A 884 -16.671 6.457 -1.281 1.00 0.00 H new ATOM 0 HB3 SER A 884 -16.094 4.909 -1.866 1.00 0.00 H new ATOM 0 HG SER A 884 -16.258 4.967 0.445 1.00 0.00 H new ATOM 535 N ILE A 885 -13.364 4.636 -2.976 1.00 0.00 N ATOM 536 CA ILE A 885 -12.277 3.666 -3.182 1.00 0.00 C ATOM 537 C ILE A 885 -11.009 4.377 -3.692 1.00 0.00 C ATOM 538 O ILE A 885 -11.064 5.230 -4.580 1.00 0.00 O ATOM 539 CB ILE A 885 -12.781 2.510 -4.089 1.00 0.00 C ATOM 540 CG1 ILE A 885 -13.489 1.386 -3.293 1.00 0.00 C ATOM 541 CG2 ILE A 885 -11.686 1.820 -4.915 1.00 0.00 C ATOM 542 CD1 ILE A 885 -14.593 1.874 -2.351 1.00 0.00 C ATOM 0 H ILE A 885 -14.120 4.528 -3.653 1.00 0.00 H new ATOM 0 HA ILE A 885 -11.984 3.207 -2.238 1.00 0.00 H new ATOM 0 HB ILE A 885 -13.473 3.024 -4.756 1.00 0.00 H new ATOM 0 HG12 ILE A 885 -13.919 0.674 -3.998 1.00 0.00 H new ATOM 0 HG13 ILE A 885 -12.743 0.846 -2.709 1.00 0.00 H new ATOM 0 HG21 ILE A 885 -12.130 1.027 -5.517 1.00 0.00 H new ATOM 0 HG22 ILE A 885 -11.210 2.550 -5.570 1.00 0.00 H new ATOM 0 HG23 ILE A 885 -10.940 1.393 -4.245 1.00 0.00 H new ATOM 0 HD11 ILE A 885 -15.034 1.021 -1.835 1.00 0.00 H new ATOM 0 HD12 ILE A 885 -14.169 2.562 -1.619 1.00 0.00 H new ATOM 0 HD13 ILE A 885 -15.363 2.387 -2.928 1.00 0.00 H new ATOM 603 N ARG A 890 -9.098 -1.548 0.164 1.00 0.00 N ATOM 604 CA ARG A 890 -9.007 -2.993 -0.121 1.00 0.00 C ATOM 605 C ARG A 890 -10.387 -3.549 -0.497 1.00 0.00 C ATOM 606 O ARG A 890 -11.014 -4.296 0.255 1.00 0.00 O ATOM 607 CB ARG A 890 -8.286 -3.732 1.027 1.00 0.00 C ATOM 608 CG ARG A 890 -8.849 -3.480 2.442 1.00 0.00 C ATOM 609 CD ARG A 890 -8.067 -4.246 3.520 1.00 0.00 C ATOM 610 NE ARG A 890 -6.667 -3.784 3.642 1.00 0.00 N ATOM 611 CZ ARG A 890 -6.225 -2.720 4.292 1.00 0.00 C ATOM 612 NH1 ARG A 890 -7.019 -1.920 4.946 1.00 0.00 N1+ ATOM 613 NH2 ARG A 890 -4.954 -2.436 4.297 1.00 0.00 N ATOM 0 HA ARG A 890 -8.382 -3.168 -0.997 1.00 0.00 H new ATOM 0 HB2 ARG A 890 -8.324 -4.803 0.826 1.00 0.00 H new ATOM 0 HB3 ARG A 890 -7.235 -3.443 1.017 1.00 0.00 H new ATOM 0 HG2 ARG A 890 -8.816 -2.413 2.660 1.00 0.00 H new ATOM 0 HG3 ARG A 890 -9.897 -3.779 2.473 1.00 0.00 H new ATOM 0 HD2 ARG A 890 -8.569 -4.129 4.480 1.00 0.00 H new ATOM 0 HD3 ARG A 890 -8.076 -5.310 3.283 1.00 0.00 H new ATOM 0 HE ARG A 890 -5.962 -4.351 3.171 1.00 0.00 H new ATOM 0 HH11 ARG A 890 -8.022 -2.104 4.970 1.00 0.00 H new ATOM 0 HH12 ARG A 890 -6.637 -1.110 5.434 1.00 0.00 H new ATOM 0 HH21 ARG A 890 -4.296 -3.035 3.799 1.00 0.00 H new ATOM 0 HH22 ARG A 890 -4.617 -1.615 4.799 1.00 0.00 H new ATOM 627 N TRP A 891 -10.899 -3.097 -1.641 1.00 0.00 N ATOM 628 CA TRP A 891 -12.235 -3.447 -2.135 1.00 0.00 C ATOM 629 C TRP A 891 -12.251 -4.901 -2.620 1.00 0.00 C ATOM 630 O TRP A 891 -11.380 -5.287 -3.399 1.00 0.00 O ATOM 631 CB TRP A 891 -12.663 -2.487 -3.249 1.00 0.00 C ATOM 632 CG TRP A 891 -14.107 -2.584 -3.631 1.00 0.00 C ATOM 633 CD1 TRP A 891 -15.049 -1.723 -3.200 1.00 0.00 C ATOM 634 CD2 TRP A 891 -14.825 -3.583 -4.427 1.00 0.00 C ATOM 635 NE1 TRP A 891 -16.275 -2.048 -3.729 1.00 0.00 N ATOM 636 CE2 TRP A 891 -16.210 -3.225 -4.436 1.00 0.00 C ATOM 637 CE3 TRP A 891 -14.468 -4.766 -5.114 1.00 0.00 C ATOM 638 CZ2 TRP A 891 -17.190 -4.009 -5.048 1.00 0.00 C ATOM 639 CZ3 TRP A 891 -15.450 -5.577 -5.718 1.00 0.00 C ATOM 640 CH2 TRP A 891 -16.802 -5.207 -5.661 1.00 0.00 C ATOM 0 H TRP A 891 -10.391 -2.467 -2.262 1.00 0.00 H new ATOM 0 HA TRP A 891 -12.952 -3.351 -1.319 1.00 0.00 H new ATOM 0 HB2 TRP A 891 -12.452 -1.466 -2.932 1.00 0.00 H new ATOM 0 HB3 TRP A 891 -12.053 -2.680 -4.132 1.00 0.00 H new ATOM 0 HD1 TRP A 891 -14.866 -0.894 -2.533 1.00 0.00 H new ATOM 0 HE1 TRP A 891 -17.121 -1.490 -3.612 1.00 0.00 H new ATOM 0 HE3 TRP A 891 -13.429 -5.052 -5.177 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 -18.224 -3.698 -5.049 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 -15.161 -6.485 -6.226 1.00 0.00 H new ATOM 0 HH2 TRP A 891 -17.551 -5.853 -6.094 1.00 0.00 H new ATOM 651 N ILE A 892 -13.226 -5.706 -2.189 1.00 0.00 N ATOM 652 CA ILE A 892 -13.355 -7.122 -2.580 1.00 0.00 C ATOM 653 C ILE A 892 -14.811 -7.540 -2.825 1.00 0.00 C ATOM 654 O ILE A 892 -15.737 -6.889 -2.331 1.00 0.00 O ATOM 655 CB ILE A 892 -12.694 -8.048 -1.531 1.00 0.00 C ATOM 656 CG1 ILE A 892 -13.429 -7.993 -0.178 1.00 0.00 C ATOM 657 CG2 ILE A 892 -11.193 -7.754 -1.352 1.00 0.00 C ATOM 658 CD1 ILE A 892 -13.160 -9.217 0.696 1.00 0.00 C ATOM 0 H ILE A 892 -13.959 -5.394 -1.551 1.00 0.00 H new ATOM 0 HA ILE A 892 -12.829 -7.230 -3.529 1.00 0.00 H new ATOM 0 HB ILE A 892 -12.781 -9.062 -1.920 1.00 0.00 H new ATOM 0 HG12 ILE A 892 -13.123 -7.095 0.359 1.00 0.00 H new ATOM 0 HG13 ILE A 892 -14.501 -7.909 -0.356 1.00 0.00 H new ATOM 0 HG21 ILE A 892 -10.776 -8.430 -0.606 1.00 0.00 H new ATOM 0 HG22 ILE A 892 -10.678 -7.900 -2.302 1.00 0.00 H new ATOM 0 HG23 ILE A 892 -11.061 -6.724 -1.022 1.00 0.00 H new ATOM 0 HD11 ILE A 892 -13.705 -9.120 1.635 1.00 0.00 H new ATOM 0 HD12 ILE A 892 -13.491 -10.116 0.175 1.00 0.00 H new ATOM 0 HD13 ILE A 892 -12.092 -9.290 0.902 1.00 0.00 H new ATOM 670 N CYS A 893 -15.019 -8.678 -3.495 1.00 0.00 N ATOM 671 CA CYS A 893 -16.336 -9.263 -3.721 1.00 0.00 C ATOM 672 C CYS A 893 -17.197 -9.346 -2.432 1.00 0.00 C ATOM 673 O CYS A 893 -18.376 -9.007 -2.477 1.00 0.00 O ATOM 674 CB CYS A 893 -16.205 -10.645 -4.380 1.00 0.00 C ATOM 675 SG CYS A 893 -15.068 -10.742 -5.810 1.00 0.00 S ATOM 0 H CYS A 893 -14.260 -9.225 -3.901 1.00 0.00 H new ATOM 0 HA CYS A 893 -16.864 -8.591 -4.398 1.00 0.00 H new ATOM 0 HB2 CYS A 893 -15.870 -11.356 -3.625 1.00 0.00 H new ATOM 0 HB3 CYS A 893 -17.195 -10.967 -4.704 1.00 0.00 H new ATOM 0 HG CYS A 893 -14.037 -11.469 -5.496 1.00 0.00 H new ATOM 680 N MET A 894 -16.645 -9.771 -1.283 1.00 0.00 N ATOM 681 CA MET A 894 -17.437 -9.939 -0.046 1.00 0.00 C ATOM 682 C MET A 894 -18.047 -8.615 0.468 1.00 0.00 C ATOM 683 O MET A 894 -19.076 -8.614 1.146 1.00 0.00 O ATOM 684 CB MET A 894 -16.555 -10.611 1.021 1.00 0.00 C ATOM 685 CG MET A 894 -17.288 -10.999 2.311 1.00 0.00 C ATOM 686 SD MET A 894 -18.578 -12.259 2.113 1.00 0.00 S ATOM 687 CE MET A 894 -19.154 -12.370 3.829 1.00 0.00 C ATOM 0 H MET A 894 -15.657 -10.005 -1.182 1.00 0.00 H new ATOM 0 HA MET A 894 -18.291 -10.577 -0.272 1.00 0.00 H new ATOM 0 HB2 MET A 894 -16.108 -11.507 0.591 1.00 0.00 H new ATOM 0 HB3 MET A 894 -15.737 -9.936 1.274 1.00 0.00 H new ATOM 0 HG2 MET A 894 -16.555 -11.361 3.032 1.00 0.00 H new ATOM 0 HG3 MET A 894 -17.739 -10.103 2.738 1.00 0.00 H new ATOM 0 HE1 MET A 894 -19.956 -13.105 3.897 1.00 0.00 H new ATOM 0 HE2 MET A 894 -18.327 -12.674 4.471 1.00 0.00 H new ATOM 0 HE3 MET A 894 -19.525 -11.397 4.152 1.00 0.00 H new ATOM 697 N ASN A 895 -17.436 -7.479 0.113 1.00 0.00 N ATOM 698 CA ASN A 895 -17.900 -6.123 0.434 1.00 0.00 C ATOM 699 C ASN A 895 -18.878 -5.540 -0.616 1.00 0.00 C ATOM 700 O ASN A 895 -19.482 -4.493 -0.377 1.00 0.00 O ATOM 701 CB ASN A 895 -16.646 -5.250 0.687 1.00 0.00 C ATOM 702 CG ASN A 895 -16.488 -4.041 -0.223 1.00 0.00 C ATOM 703 OD1 ASN A 895 -16.575 -2.895 0.192 1.00 0.00 O ATOM 704 ND2 ASN A 895 -16.241 -4.261 -1.491 1.00 0.00 N ATOM 0 H ASN A 895 -16.571 -7.478 -0.427 1.00 0.00 H new ATOM 0 HA ASN A 895 -18.509 -6.144 1.338 1.00 0.00 H new ATOM 0 HB2 ASN A 895 -16.670 -4.903 1.720 1.00 0.00 H new ATOM 0 HB3 ASN A 895 -15.762 -5.878 0.582 1.00 0.00 H new ATOM 0 HD21 ASN A 895 -16.121 -3.476 -2.131 1.00 0.00 H new ATOM 0 HD22 ASN A 895 -16.168 -5.217 -1.838 1.00 0.00 H new ATOM 711 N ASN A 896 -19.014 -6.195 -1.776 1.00 0.00 N ATOM 712 CA ASN A 896 -19.784 -5.718 -2.931 1.00 0.00 C ATOM 713 C ASN A 896 -21.235 -5.348 -2.576 1.00 0.00 C ATOM 714 O ASN A 896 -21.939 -6.090 -1.887 1.00 0.00 O ATOM 715 CB ASN A 896 -19.766 -6.785 -4.044 1.00 0.00 C ATOM 716 CG ASN A 896 -20.472 -6.365 -5.322 1.00 0.00 C ATOM 717 OD1 ASN A 896 -20.371 -5.241 -5.783 1.00 0.00 O ATOM 718 ND2 ASN A 896 -21.228 -7.246 -5.934 1.00 0.00 N ATOM 0 H ASN A 896 -18.576 -7.101 -1.941 1.00 0.00 H new ATOM 0 HA ASN A 896 -19.305 -4.803 -3.279 1.00 0.00 H new ATOM 0 HB2 ASN A 896 -18.730 -7.031 -4.279 1.00 0.00 H new ATOM 0 HB3 ASN A 896 -20.233 -7.695 -3.667 1.00 0.00 H new ATOM 0 HD21 ASN A 896 -21.724 -6.987 -6.787 1.00 0.00 H new ATOM 0 HD22 ASN A 896 -21.319 -8.189 -5.557 1.00 0.00 H new ATOM 725 N SER A 897 -21.689 -4.222 -3.125 1.00 0.00 N ATOM 726 CA SER A 897 -23.064 -3.718 -3.004 1.00 0.00 C ATOM 727 C SER A 897 -24.133 -4.718 -3.461 1.00 0.00 C ATOM 728 O SER A 897 -25.159 -4.898 -2.804 1.00 0.00 O ATOM 729 CB SER A 897 -23.203 -2.466 -3.873 1.00 0.00 C ATOM 730 OG SER A 897 -22.428 -1.403 -3.340 1.00 0.00 O ATOM 0 H SER A 897 -21.093 -3.613 -3.685 1.00 0.00 H new ATOM 0 HA SER A 897 -23.229 -3.520 -1.945 1.00 0.00 H new ATOM 0 HB2 SER A 897 -22.880 -2.685 -4.891 1.00 0.00 H new ATOM 0 HB3 SER A 897 -24.250 -2.169 -3.928 1.00 0.00 H new ATOM 0 HG SER A 897 -22.526 -0.610 -3.908 1.00 0.00 H new ATOM 736 N ASP A 898 -23.896 -5.355 -4.606 1.00 0.00 N ATOM 737 CA ASP A 898 -24.844 -6.247 -5.281 1.00 0.00 C ATOM 738 C ASP A 898 -24.693 -7.703 -4.822 1.00 0.00 C ATOM 739 O ASP A 898 -23.811 -8.442 -5.268 1.00 0.00 O ATOM 740 CB ASP A 898 -24.713 -6.114 -6.804 1.00 0.00 C ATOM 741 CG ASP A 898 -24.607 -4.653 -7.272 1.00 0.00 C ATOM 742 OD1 ASP A 898 -25.640 -3.942 -7.276 1.00 0.00 O ATOM 743 OD2 ASP A 898 -23.485 -4.223 -7.631 1.00 0.00 O1- ATOM 0 H ASP A 898 -23.012 -5.264 -5.107 1.00 0.00 H new ATOM 0 HA ASP A 898 -25.851 -5.939 -4.998 1.00 0.00 H new ATOM 0 HB2 ASP A 898 -23.831 -6.661 -7.137 1.00 0.00 H new ATOM 0 HB3 ASP A 898 -25.576 -6.581 -7.280 1.00 0.00 H new ATOM 748 N LYS A 899 -25.607 -8.137 -3.953 1.00 0.00 N ATOM 749 CA LYS A 899 -25.613 -9.452 -3.282 1.00 0.00 C ATOM 750 C LYS A 899 -25.691 -10.645 -4.246 1.00 0.00 C ATOM 751 O LYS A 899 -25.319 -11.759 -3.876 1.00 0.00 O ATOM 752 CB LYS A 899 -26.765 -9.497 -2.259 1.00 0.00 C ATOM 753 CG LYS A 899 -26.635 -8.455 -1.131 1.00 0.00 C ATOM 754 CD LYS A 899 -25.710 -8.947 -0.015 1.00 0.00 C ATOM 755 CE LYS A 899 -26.443 -9.934 0.904 1.00 0.00 C ATOM 756 NZ LYS A 899 -27.249 -9.244 1.948 1.00 0.00 N1+ ATOM 0 H LYS A 899 -26.403 -7.560 -3.680 1.00 0.00 H new ATOM 0 HA LYS A 899 -24.653 -9.554 -2.776 1.00 0.00 H new ATOM 0 HB2 LYS A 899 -27.709 -9.338 -2.781 1.00 0.00 H new ATOM 0 HB3 LYS A 899 -26.808 -10.493 -1.818 1.00 0.00 H new ATOM 0 HG2 LYS A 899 -26.249 -7.521 -1.540 1.00 0.00 H new ATOM 0 HG3 LYS A 899 -27.621 -8.239 -0.719 1.00 0.00 H new ATOM 0 HD2 LYS A 899 -24.834 -9.429 -0.449 1.00 0.00 H new ATOM 0 HD3 LYS A 899 -25.352 -8.098 0.567 1.00 0.00 H new ATOM 0 HE2 LYS A 899 -27.096 -10.568 0.305 1.00 0.00 H new ATOM 0 HE3 LYS A 899 -25.716 -10.589 1.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 899 -27.725 -9.952 2.543 1.00 0.00 H new ATOM 0 HZ2 LYS A 899 -26.624 -8.659 2.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 899 -27.962 -8.639 1.493 1.00 0.00 H new ATOM 770 N ARG A 900 -26.099 -10.404 -5.499 1.00 0.00 N ATOM 771 CA ARG A 900 -26.063 -11.371 -6.615 1.00 0.00 C ATOM 772 C ARG A 900 -24.642 -11.765 -7.043 1.00 0.00 C ATOM 773 O ARG A 900 -24.457 -12.837 -7.615 1.00 0.00 O ATOM 774 CB ARG A 900 -26.812 -10.763 -7.815 1.00 0.00 C ATOM 775 CG ARG A 900 -28.339 -10.675 -7.648 1.00 0.00 C ATOM 776 CD ARG A 900 -29.017 -12.050 -7.559 1.00 0.00 C ATOM 777 NE ARG A 900 -30.488 -11.925 -7.498 1.00 0.00 N ATOM 778 CZ ARG A 900 -31.332 -11.852 -8.514 1.00 0.00 C ATOM 779 NH1 ARG A 900 -30.936 -11.872 -9.755 1.00 0.00 N1+ ATOM 780 NH2 ARG A 900 -32.613 -11.752 -8.297 1.00 0.00 N ATOM 0 H ARG A 900 -26.478 -9.499 -5.778 1.00 0.00 H new ATOM 0 HA ARG A 900 -26.541 -12.286 -6.266 1.00 0.00 H new ATOM 0 HB2 ARG A 900 -26.423 -9.761 -7.998 1.00 0.00 H new ATOM 0 HB3 ARG A 900 -26.592 -11.358 -8.702 1.00 0.00 H new ATOM 0 HG2 ARG A 900 -28.567 -10.105 -6.747 1.00 0.00 H new ATOM 0 HG3 ARG A 900 -28.759 -10.124 -8.489 1.00 0.00 H new ATOM 0 HD2 ARG A 900 -28.737 -12.651 -8.424 1.00 0.00 H new ATOM 0 HD3 ARG A 900 -28.659 -12.577 -6.675 1.00 0.00 H new ATOM 0 HE ARG A 900 -30.900 -11.891 -6.566 1.00 0.00 H new ATOM 0 HH11 ARG A 900 -29.942 -11.946 -9.972 1.00 0.00 H new ATOM 0 HH12 ARG A 900 -31.620 -11.813 -10.510 1.00 0.00 H new ATOM 0 HH21 ARG A 900 -32.968 -11.730 -7.341 1.00 0.00 H new ATOM 0 HH22 ARG A 900 -33.261 -11.696 -9.083 1.00 0.00 H new ATOM 794 N PHE A 901 -23.650 -10.917 -6.758 1.00 0.00 N ATOM 795 CA PHE A 901 -22.254 -11.058 -7.211 1.00 0.00 C ATOM 796 C PHE A 901 -21.196 -10.898 -6.101 1.00 0.00 C ATOM 797 O PHE A 901 -19.993 -10.852 -6.370 1.00 0.00 O ATOM 798 CB PHE A 901 -21.994 -10.060 -8.353 1.00 0.00 C ATOM 799 CG PHE A 901 -23.034 -9.961 -9.458 1.00 0.00 C ATOM 800 CD1 PHE A 901 -22.896 -10.713 -10.637 1.00 0.00 C ATOM 801 CD2 PHE A 901 -24.099 -9.047 -9.347 1.00 0.00 C ATOM 802 CE1 PHE A 901 -23.810 -10.560 -11.694 1.00 0.00 C ATOM 803 CE2 PHE A 901 -25.016 -8.890 -10.402 1.00 0.00 C ATOM 804 CZ PHE A 901 -24.870 -9.646 -11.578 1.00 0.00 C ATOM 0 H PHE A 901 -23.796 -10.084 -6.187 1.00 0.00 H new ATOM 0 HA PHE A 901 -22.143 -12.086 -7.556 1.00 0.00 H new ATOM 0 HB2 PHE A 901 -21.878 -9.070 -7.913 1.00 0.00 H new ATOM 0 HB3 PHE A 901 -21.040 -10.318 -8.813 1.00 0.00 H new ATOM 0 HD1 PHE A 901 -22.081 -11.415 -10.732 1.00 0.00 H new ATOM 0 HD2 PHE A 901 -24.213 -8.463 -8.446 1.00 0.00 H new ATOM 0 HE1 PHE A 901 -23.697 -11.145 -12.595 1.00 0.00 H new ATOM 0 HE2 PHE A 901 -25.832 -8.189 -10.308 1.00 0.00 H new ATOM 0 HZ PHE A 901 -25.571 -9.524 -12.390 1.00 0.00 H new ATOM 814 N ALA A 902 -21.646 -10.799 -4.852 1.00 0.00 N ATOM 815 CA ALA A 902 -20.885 -10.398 -3.669 1.00 0.00 C ATOM 816 C ALA A 902 -20.142 -11.553 -2.976 1.00 0.00 C ATOM 817 O ALA A 902 -20.101 -11.660 -1.749 1.00 0.00 O ATOM 818 CB ALA A 902 -21.815 -9.619 -2.722 1.00 0.00 C ATOM 0 H ALA A 902 -22.617 -11.011 -4.623 1.00 0.00 H new ATOM 0 HA ALA A 902 -20.076 -9.744 -3.993 1.00 0.00 H new ATOM 0 HB1 ALA A 902 -21.259 -9.314 -1.835 1.00 0.00 H new ATOM 0 HB2 ALA A 902 -22.197 -8.735 -3.233 1.00 0.00 H new ATOM 0 HB3 ALA A 902 -22.649 -10.255 -2.426 1.00 0.00 H new ATOM 824 N ASP A 903 -19.536 -12.416 -3.785 1.00 0.00 N ATOM 825 CA ASP A 903 -18.632 -13.477 -3.350 1.00 0.00 C ATOM 826 C ASP A 903 -17.465 -13.625 -4.324 1.00 0.00 C ATOM 827 O ASP A 903 -17.631 -13.504 -5.542 1.00 0.00 O ATOM 828 CB ASP A 903 -19.377 -14.811 -3.214 1.00 0.00 C ATOM 829 CG ASP A 903 -20.441 -14.837 -2.102 1.00 0.00 C ATOM 830 OD1 ASP A 903 -21.655 -14.773 -2.414 1.00 0.00 O ATOM 831 OD2 ASP A 903 -20.067 -15.007 -0.916 1.00 0.00 O1- ATOM 0 H ASP A 903 -19.665 -12.396 -4.797 1.00 0.00 H new ATOM 0 HA ASP A 903 -18.239 -13.200 -2.372 1.00 0.00 H new ATOM 0 HB2 ASP A 903 -19.857 -15.043 -4.165 1.00 0.00 H new ATOM 0 HB3 ASP A 903 -18.650 -15.601 -3.023 1.00 0.00 H new ATOM 836 N CYS A 904 -16.297 -13.975 -3.787 1.00 0.00 N ATOM 837 CA CYS A 904 -15.108 -14.312 -4.557 1.00 0.00 C ATOM 838 C CYS A 904 -15.335 -15.537 -5.491 1.00 0.00 C ATOM 839 O CYS A 904 -14.568 -15.762 -6.431 1.00 0.00 O ATOM 840 CB CYS A 904 -13.970 -14.472 -3.532 1.00 0.00 C ATOM 841 SG CYS A 904 -13.538 -12.841 -2.801 1.00 0.00 S ATOM 0 H CYS A 904 -16.151 -14.032 -2.779 1.00 0.00 H new ATOM 0 HA CYS A 904 -14.842 -13.527 -5.265 1.00 0.00 H new ATOM 0 HB2 CYS A 904 -14.274 -15.162 -2.745 1.00 0.00 H new ATOM 0 HB3 CYS A 904 -13.094 -14.905 -4.015 1.00 0.00 H new ATOM 0 HG CYS A 904 -12.578 -12.993 -1.937 1.00 0.00 H new ATOM 846 N SER A 905 -16.400 -16.310 -5.238 1.00 0.00 N ATOM 847 CA SER A 905 -16.847 -17.439 -6.062 1.00 0.00 C ATOM 848 C SER A 905 -17.889 -17.054 -7.129 1.00 0.00 C ATOM 849 O SER A 905 -18.135 -17.839 -8.049 1.00 0.00 O ATOM 850 CB SER A 905 -17.448 -18.534 -5.171 1.00 0.00 C ATOM 851 OG SER A 905 -16.543 -18.939 -4.152 1.00 0.00 O ATOM 0 H SER A 905 -16.995 -16.160 -4.423 1.00 0.00 H new ATOM 0 HA SER A 905 -15.959 -17.794 -6.585 1.00 0.00 H new ATOM 0 HB2 SER A 905 -18.368 -18.168 -4.716 1.00 0.00 H new ATOM 0 HB3 SER A 905 -17.716 -19.395 -5.783 1.00 0.00 H new ATOM 0 HG SER A 905 -16.959 -19.636 -3.603 1.00 0.00 H new ATOM 857 N LYS A 906 -18.538 -15.882 -7.010 1.00 0.00 N ATOM 858 CA LYS A 906 -19.583 -15.414 -7.943 1.00 0.00 C ATOM 859 C LYS A 906 -19.032 -14.837 -9.253 1.00 0.00 C ATOM 860 O LYS A 906 -17.840 -14.572 -9.416 1.00 0.00 O ATOM 861 CB LYS A 906 -20.489 -14.364 -7.271 1.00 0.00 C ATOM 862 CG LYS A 906 -21.668 -14.868 -6.424 1.00 0.00 C ATOM 863 CD LYS A 906 -22.779 -15.604 -7.197 1.00 0.00 C ATOM 864 CE LYS A 906 -22.593 -17.130 -7.209 1.00 0.00 C ATOM 865 NZ LYS A 906 -23.725 -17.811 -7.893 1.00 0.00 N1+ ATOM 0 H LYS A 906 -18.350 -15.224 -6.254 1.00 0.00 H new ATOM 0 HA LYS A 906 -20.158 -16.304 -8.200 1.00 0.00 H new ATOM 0 HB2 LYS A 906 -19.862 -13.740 -6.634 1.00 0.00 H new ATOM 0 HB3 LYS A 906 -20.890 -13.719 -8.053 1.00 0.00 H new ATOM 0 HG2 LYS A 906 -21.280 -15.538 -5.656 1.00 0.00 H new ATOM 0 HG3 LYS A 906 -22.112 -14.016 -5.909 1.00 0.00 H new ATOM 0 HD2 LYS A 906 -23.744 -15.365 -6.751 1.00 0.00 H new ATOM 0 HD3 LYS A 906 -22.803 -15.238 -8.224 1.00 0.00 H new ATOM 0 HE2 LYS A 906 -21.659 -17.380 -7.712 1.00 0.00 H new ATOM 0 HE3 LYS A 906 -22.512 -17.496 -6.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 906 -23.568 -18.839 -7.884 1.00 0.00 H new ATOM 0 HZ2 LYS A 906 -24.613 -17.591 -7.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 906 -23.786 -17.479 -8.877 1.00 0.00 H new ATOM 879 N SER A 907 -19.977 -14.588 -10.153 1.00 0.00 N ATOM 880 CA SER A 907 -19.839 -13.970 -11.470 1.00 0.00 C ATOM 881 C SER A 907 -19.723 -12.436 -11.394 1.00 0.00 C ATOM 882 O SER A 907 -19.487 -11.875 -10.319 1.00 0.00 O ATOM 883 CB SER A 907 -21.079 -14.415 -12.254 1.00 0.00 C ATOM 884 OG SER A 907 -22.258 -13.889 -11.668 1.00 0.00 O ATOM 0 H SER A 907 -20.948 -14.836 -9.963 1.00 0.00 H new ATOM 0 HA SER A 907 -18.917 -14.285 -11.959 1.00 0.00 H new ATOM 0 HB2 SER A 907 -21.001 -14.081 -13.288 1.00 0.00 H new ATOM 0 HB3 SER A 907 -21.131 -15.504 -12.274 1.00 0.00 H new ATOM 0 HG SER A 907 -22.335 -12.937 -11.886 1.00 0.00 H new ATOM 890 N GLN A 908 -19.895 -11.745 -12.526 1.00 0.00 N ATOM 891 CA GLN A 908 -19.926 -10.279 -12.643 1.00 0.00 C ATOM 892 C GLN A 908 -20.876 -9.803 -13.760 1.00 0.00 C ATOM 893 O GLN A 908 -21.411 -10.609 -14.522 1.00 0.00 O ATOM 894 CB GLN A 908 -18.496 -9.746 -12.825 1.00 0.00 C ATOM 895 CG GLN A 908 -17.833 -10.163 -14.142 1.00 0.00 C ATOM 896 CD GLN A 908 -16.310 -10.004 -14.156 1.00 0.00 C ATOM 897 OE1 GLN A 908 -15.590 -10.296 -13.210 1.00 0.00 O ATOM 898 NE2 GLN A 908 -15.748 -9.555 -15.254 1.00 0.00 N ATOM 0 H GLN A 908 -20.022 -12.210 -13.425 1.00 0.00 H new ATOM 0 HA GLN A 908 -20.332 -9.866 -11.719 1.00 0.00 H new ATOM 0 HB2 GLN A 908 -18.516 -8.658 -12.770 1.00 0.00 H new ATOM 0 HB3 GLN A 908 -17.882 -10.096 -11.995 1.00 0.00 H new ATOM 0 HG2 GLN A 908 -18.080 -11.205 -14.346 1.00 0.00 H new ATOM 0 HG3 GLN A 908 -18.256 -9.570 -14.953 1.00 0.00 H new ATOM 0 HE21 GLN A 908 -16.325 -9.305 -16.057 1.00 0.00 H new ATOM 0 HE22 GLN A 908 -14.734 -9.457 -15.304 1.00 0.00 H new ATOM 907 N GLU A 909 -21.083 -8.483 -13.864 1.00 0.00 N ATOM 908 CA GLU A 909 -22.045 -7.856 -14.792 1.00 0.00 C ATOM 909 C GLU A 909 -21.727 -8.135 -16.282 1.00 0.00 C ATOM 910 O GLU A 909 -22.638 -8.190 -17.110 1.00 0.00 O ATOM 911 CB GLU A 909 -22.065 -6.331 -14.528 1.00 0.00 C ATOM 912 CG GLU A 909 -23.420 -5.630 -14.751 1.00 0.00 C ATOM 913 CD GLU A 909 -24.052 -5.129 -13.433 1.00 0.00 C ATOM 914 OE1 GLU A 909 -24.416 -3.930 -13.337 1.00 0.00 O ATOM 915 OE2 GLU A 909 -24.165 -5.930 -12.474 1.00 0.00 O1- ATOM 0 H GLU A 909 -20.578 -7.804 -13.295 1.00 0.00 H new ATOM 0 HA GLU A 909 -23.024 -8.297 -14.603 1.00 0.00 H new ATOM 0 HB2 GLU A 909 -21.751 -6.155 -13.499 1.00 0.00 H new ATOM 0 HB3 GLU A 909 -21.323 -5.860 -15.173 1.00 0.00 H new ATOM 0 HG2 GLU A 909 -23.282 -4.786 -15.427 1.00 0.00 H new ATOM 0 HG3 GLU A 909 -24.107 -6.321 -15.240 1.00 0.00 H new ATOM 922 N MET A 910 -20.440 -8.328 -16.616 1.00 0.00 N ATOM 923 CA MET A 910 -19.901 -8.620 -17.961 1.00 0.00 C ATOM 924 C MET A 910 -18.516 -9.272 -17.844 1.00 0.00 C ATOM 925 O MET A 910 -17.686 -8.770 -17.086 1.00 0.00 O ATOM 926 CB MET A 910 -19.683 -7.336 -18.785 1.00 0.00 C ATOM 927 CG MET A 910 -20.887 -6.415 -18.990 1.00 0.00 C ATOM 928 SD MET A 910 -20.480 -4.936 -19.958 1.00 0.00 S ATOM 929 CE MET A 910 -22.043 -4.030 -19.797 1.00 0.00 C ATOM 0 H MET A 910 -19.701 -8.282 -15.914 1.00 0.00 H new ATOM 0 HA MET A 910 -20.629 -9.270 -18.445 1.00 0.00 H new ATOM 0 HB2 MET A 910 -18.895 -6.757 -18.303 1.00 0.00 H new ATOM 0 HB3 MET A 910 -19.310 -7.626 -19.767 1.00 0.00 H new ATOM 0 HG2 MET A 910 -21.680 -6.967 -19.494 1.00 0.00 H new ATOM 0 HG3 MET A 910 -21.277 -6.112 -18.018 1.00 0.00 H new ATOM 0 HE1 MET A 910 -21.973 -3.085 -20.336 1.00 0.00 H new ATOM 0 HE2 MET A 910 -22.854 -4.627 -20.214 1.00 0.00 H new ATOM 0 HE3 MET A 910 -22.242 -3.833 -18.744 1.00 0.00 H new ATOM 939 N SER A 911 -18.204 -10.324 -18.606 1.00 0.00 N ATOM 940 CA SER A 911 -16.858 -10.944 -18.599 1.00 0.00 C ATOM 941 C SER A 911 -15.791 -9.953 -19.069 1.00 0.00 C ATOM 942 O SER A 911 -16.100 -9.038 -19.828 1.00 0.00 O ATOM 943 CB SER A 911 -16.779 -12.196 -19.480 1.00 0.00 C ATOM 944 OG SER A 911 -17.971 -12.966 -19.417 1.00 0.00 O ATOM 0 H SER A 911 -18.863 -10.773 -19.242 1.00 0.00 H new ATOM 0 HA SER A 911 -16.672 -11.235 -17.565 1.00 0.00 H new ATOM 0 HB2 SER A 911 -16.592 -11.902 -20.513 1.00 0.00 H new ATOM 0 HB3 SER A 911 -15.934 -12.809 -19.165 1.00 0.00 H new ATOM 0 HG SER A 911 -17.882 -13.754 -19.993 1.00 0.00 H new ATOM 950 N ASN A 912 -14.530 -10.130 -18.661 1.00 0.00 N ATOM 951 CA ASN A 912 -13.473 -9.116 -18.858 1.00 0.00 C ATOM 952 C ASN A 912 -13.291 -8.726 -20.344 1.00 0.00 C ATOM 953 O ASN A 912 -13.081 -7.552 -20.643 1.00 0.00 O ATOM 954 CB ASN A 912 -12.155 -9.583 -18.195 1.00 0.00 C ATOM 955 CG ASN A 912 -10.935 -8.842 -18.719 1.00 0.00 C ATOM 956 OD1 ASN A 912 -10.237 -9.284 -19.617 1.00 0.00 O ATOM 957 ND2 ASN A 912 -10.646 -7.683 -18.173 1.00 0.00 N ATOM 0 H ASN A 912 -14.208 -10.974 -18.187 1.00 0.00 H new ATOM 0 HA ASN A 912 -13.790 -8.199 -18.361 1.00 0.00 H new ATOM 0 HB2 ASN A 912 -12.226 -9.440 -17.117 1.00 0.00 H new ATOM 0 HB3 ASN A 912 -12.026 -10.652 -18.367 1.00 0.00 H new ATOM 0 HD21 ASN A 912 -9.838 -7.153 -18.500 1.00 0.00 H new ATOM 0 HD22 ASN A 912 -11.229 -7.313 -17.422 1.00 0.00 H new ATOM 964 N GLU A 913 -13.449 -9.689 -21.257 1.00 0.00 N ATOM 965 CA GLU A 913 -13.361 -9.501 -22.718 1.00 0.00 C ATOM 966 C GLU A 913 -14.610 -8.826 -23.346 1.00 0.00 C ATOM 967 O GLU A 913 -14.595 -8.416 -24.506 1.00 0.00 O ATOM 968 CB GLU A 913 -13.065 -10.879 -23.342 1.00 0.00 C ATOM 969 CG GLU A 913 -12.713 -10.843 -24.838 1.00 0.00 C ATOM 970 CD GLU A 913 -12.051 -12.152 -25.327 1.00 0.00 C ATOM 971 OE1 GLU A 913 -11.070 -12.082 -26.108 1.00 0.00 O ATOM 972 OE2 GLU A 913 -12.512 -13.264 -24.965 1.00 0.00 O1- ATOM 0 H GLU A 913 -13.648 -10.655 -20.996 1.00 0.00 H new ATOM 0 HA GLU A 913 -12.556 -8.799 -22.934 1.00 0.00 H new ATOM 0 HB2 GLU A 913 -12.239 -11.339 -22.799 1.00 0.00 H new ATOM 0 HB3 GLU A 913 -13.935 -11.521 -23.202 1.00 0.00 H new ATOM 0 HG2 GLU A 913 -13.619 -10.661 -25.416 1.00 0.00 H new ATOM 0 HG3 GLU A 913 -12.040 -10.007 -25.029 1.00 0.00 H new ATOM 979 N GLU A 914 -15.701 -8.698 -22.585 1.00 0.00 N ATOM 980 CA GLU A 914 -16.931 -7.989 -22.962 1.00 0.00 C ATOM 981 C GLU A 914 -16.998 -6.574 -22.360 1.00 0.00 C ATOM 982 O GLU A 914 -17.437 -5.650 -23.048 1.00 0.00 O ATOM 983 CB GLU A 914 -18.166 -8.800 -22.526 1.00 0.00 C ATOM 984 CG GLU A 914 -18.231 -10.236 -23.075 1.00 0.00 C ATOM 985 CD GLU A 914 -18.182 -10.330 -24.618 1.00 0.00 C ATOM 986 OE1 GLU A 914 -18.801 -9.491 -25.318 1.00 0.00 O ATOM 987 OE2 GLU A 914 -17.564 -11.287 -25.147 1.00 0.00 O1- ATOM 0 H GLU A 914 -15.755 -9.102 -21.650 1.00 0.00 H new ATOM 0 HA GLU A 914 -16.922 -7.884 -24.047 1.00 0.00 H new ATOM 0 HB2 GLU A 914 -18.187 -8.843 -21.437 1.00 0.00 H new ATOM 0 HB3 GLU A 914 -19.062 -8.266 -22.842 1.00 0.00 H new ATOM 0 HG2 GLU A 914 -17.401 -10.809 -22.661 1.00 0.00 H new ATOM 0 HG3 GLU A 914 -19.149 -10.706 -22.723 1.00 0.00 H new ATOM 994 N ILE A 915 -16.537 -6.370 -21.114 1.00 0.00 N ATOM 995 CA ILE A 915 -16.434 -5.022 -20.524 1.00 0.00 C ATOM 996 C ILE A 915 -15.369 -4.179 -21.236 1.00 0.00 C ATOM 997 O ILE A 915 -15.695 -3.117 -21.750 1.00 0.00 O ATOM 998 CB ILE A 915 -16.318 -5.023 -18.972 1.00 0.00 C ATOM 999 CG1 ILE A 915 -15.777 -3.710 -18.377 1.00 0.00 C ATOM 1000 CG2 ILE A 915 -15.478 -6.146 -18.353 1.00 0.00 C ATOM 1001 CD1 ILE A 915 -16.594 -2.486 -18.761 1.00 0.00 C ATOM 0 H ILE A 915 -16.230 -7.120 -20.495 1.00 0.00 H new ATOM 0 HA ILE A 915 -17.387 -4.525 -20.705 1.00 0.00 H new ATOM 0 HB ILE A 915 -17.365 -5.176 -18.709 1.00 0.00 H new ATOM 0 HG12 ILE A 915 -15.754 -3.795 -17.291 1.00 0.00 H new ATOM 0 HG13 ILE A 915 -14.748 -3.568 -18.707 1.00 0.00 H new ATOM 0 HG21 ILE A 915 -15.472 -6.040 -17.268 1.00 0.00 H new ATOM 0 HG22 ILE A 915 -15.907 -7.111 -18.621 1.00 0.00 H new ATOM 0 HG23 ILE A 915 -14.457 -6.086 -18.729 1.00 0.00 H new ATOM 0 HD11 ILE A 915 -16.155 -1.598 -18.306 1.00 0.00 H new ATOM 0 HD12 ILE A 915 -16.596 -2.375 -19.845 1.00 0.00 H new ATOM 0 HD13 ILE A 915 -17.618 -2.606 -18.407 1.00 0.00 H new ATOM 1013 N ASN A 916 -14.117 -4.626 -21.322 1.00 0.00 N ATOM 1014 CA ASN A 916 -13.016 -3.831 -21.903 1.00 0.00 C ATOM 1015 C ASN A 916 -13.338 -3.254 -23.314 1.00 0.00 C ATOM 1016 O ASN A 916 -12.976 -2.119 -23.631 1.00 0.00 O ATOM 1017 CB ASN A 916 -11.712 -4.662 -21.837 1.00 0.00 C ATOM 1018 CG ASN A 916 -11.636 -5.872 -22.768 1.00 0.00 C ATOM 1019 OD1 ASN A 916 -12.575 -6.255 -23.448 1.00 0.00 O ATOM 1020 ND2 ASN A 916 -10.503 -6.532 -22.838 1.00 0.00 N ATOM 0 H ASN A 916 -13.829 -5.548 -20.993 1.00 0.00 H new ATOM 0 HA ASN A 916 -12.876 -2.931 -21.304 1.00 0.00 H new ATOM 0 HB2 ASN A 916 -10.874 -4.003 -22.062 1.00 0.00 H new ATOM 0 HB3 ASN A 916 -11.578 -5.009 -20.812 1.00 0.00 H new ATOM 0 HD21 ASN A 916 -10.423 -7.344 -23.450 1.00 0.00 H new ATOM 0 HD22 ASN A 916 -9.703 -6.233 -22.280 1.00 0.00 H new ATOM 1027 N GLU A 917 -14.137 -3.973 -24.105 1.00 0.00 N ATOM 1028 CA GLU A 917 -14.709 -3.566 -25.396 1.00 0.00 C ATOM 1029 C GLU A 917 -15.593 -2.310 -25.330 1.00 0.00 C ATOM 1030 O GLU A 917 -15.582 -1.479 -26.239 1.00 0.00 O ATOM 1031 CB GLU A 917 -15.579 -4.727 -25.887 1.00 0.00 C ATOM 1032 CG GLU A 917 -15.850 -4.753 -27.401 1.00 0.00 C ATOM 1033 CD GLU A 917 -14.583 -4.756 -28.287 1.00 0.00 C ATOM 1034 OE1 GLU A 917 -14.579 -4.070 -29.340 1.00 0.00 O ATOM 1035 OE2 GLU A 917 -13.593 -5.459 -27.970 1.00 0.00 O1- ATOM 0 H GLU A 917 -14.422 -4.918 -23.846 1.00 0.00 H new ATOM 0 HA GLU A 917 -13.878 -3.326 -26.059 1.00 0.00 H new ATOM 0 HB2 GLU A 917 -15.098 -5.664 -25.605 1.00 0.00 H new ATOM 0 HB3 GLU A 917 -16.535 -4.689 -25.364 1.00 0.00 H new ATOM 0 HG2 GLU A 917 -16.442 -5.638 -27.635 1.00 0.00 H new ATOM 0 HG3 GLU A 917 -16.457 -3.886 -27.662 1.00 0.00 H new ATOM 1042 N GLU A 918 -16.366 -2.182 -24.251 1.00 0.00 N ATOM 1043 CA GLU A 918 -17.350 -1.109 -24.033 1.00 0.00 C ATOM 1044 C GLU A 918 -16.702 0.284 -23.952 1.00 0.00 C ATOM 1045 O GLU A 918 -17.224 1.248 -24.516 1.00 0.00 O ATOM 1046 CB GLU A 918 -18.174 -1.384 -22.753 1.00 0.00 C ATOM 1047 CG GLU A 918 -19.473 -0.563 -22.681 1.00 0.00 C ATOM 1048 CD GLU A 918 -20.442 -0.879 -23.843 1.00 0.00 C ATOM 1049 OE1 GLU A 918 -20.932 -2.030 -23.944 1.00 0.00 O ATOM 1050 OE2 GLU A 918 -20.727 0.023 -24.667 1.00 0.00 O1- ATOM 0 H GLU A 918 -16.327 -2.843 -23.475 1.00 0.00 H new ATOM 0 HA GLU A 918 -18.010 -1.108 -24.900 1.00 0.00 H new ATOM 0 HB2 GLU A 918 -18.419 -2.445 -22.707 1.00 0.00 H new ATOM 0 HB3 GLU A 918 -17.562 -1.161 -21.879 1.00 0.00 H new ATOM 0 HG2 GLU A 918 -19.972 -0.762 -21.733 1.00 0.00 H new ATOM 0 HG3 GLU A 918 -19.228 0.499 -22.696 1.00 0.00 H new ATOM 1057 N LEU A 919 -15.549 0.390 -23.277 1.00 0.00 N ATOM 1058 CA LEU A 919 -14.759 1.629 -23.207 1.00 0.00 C ATOM 1059 C LEU A 919 -13.798 1.769 -24.404 1.00 0.00 C ATOM 1060 O LEU A 919 -13.411 2.882 -24.765 1.00 0.00 O ATOM 1061 CB LEU A 919 -13.976 1.726 -21.882 1.00 0.00 C ATOM 1062 CG LEU A 919 -14.759 1.333 -20.610 1.00 0.00 C ATOM 1063 CD1 LEU A 919 -14.483 -0.129 -20.269 1.00 0.00 C ATOM 1064 CD2 LEU A 919 -14.350 2.210 -19.445 1.00 0.00 C ATOM 0 H LEU A 919 -15.135 -0.386 -22.761 1.00 0.00 H new ATOM 0 HA LEU A 919 -15.471 2.454 -23.249 1.00 0.00 H new ATOM 0 HB2 LEU A 919 -13.095 1.089 -21.955 1.00 0.00 H new ATOM 0 HB3 LEU A 919 -13.621 2.750 -21.766 1.00 0.00 H new ATOM 0 HG LEU A 919 -15.824 1.471 -20.798 1.00 0.00 H new ATOM 0 HD11 LEU A 919 -15.037 -0.404 -19.371 1.00 0.00 H new ATOM 0 HD12 LEU A 919 -14.799 -0.762 -21.098 1.00 0.00 H new ATOM 0 HD13 LEU A 919 -13.416 -0.267 -20.094 1.00 0.00 H new ATOM 0 HD21 LEU A 919 -14.911 1.920 -18.557 1.00 0.00 H new ATOM 0 HD22 LEU A 919 -13.283 2.090 -19.256 1.00 0.00 H new ATOM 0 HD23 LEU A 919 -14.561 3.253 -19.683 1.00 0.00 H new ATOM 1076 N GLY A 920 -13.425 0.641 -25.018 1.00 0.00 N ATOM 1077 CA GLY A 920 -12.546 0.563 -26.192 1.00 0.00 C ATOM 1078 C GLY A 920 -11.075 0.331 -25.830 1.00 0.00 C ATOM 1079 O GLY A 920 -10.184 0.958 -26.408 1.00 0.00 O ATOM 0 H GLY A 920 -13.738 -0.276 -24.700 1.00 0.00 H new ATOM 0 HA2 GLY A 920 -12.886 -0.245 -26.839 1.00 0.00 H new ATOM 0 HA3 GLY A 920 -12.631 1.487 -26.764 1.00 0.00 H new ATOM 1083 N ILE A 921 -10.829 -0.534 -24.841 1.00 0.00 N ATOM 1084 CA ILE A 921 -9.522 -0.795 -24.215 1.00 0.00 C ATOM 1085 C ILE A 921 -9.220 -2.301 -24.119 1.00 0.00 C ATOM 1086 O ILE A 921 -10.084 -3.148 -24.349 1.00 0.00 O ATOM 1087 CB ILE A 921 -9.448 -0.113 -22.824 1.00 0.00 C ATOM 1088 CG1 ILE A 921 -10.480 -0.700 -21.834 1.00 0.00 C ATOM 1089 CG2 ILE A 921 -9.568 1.413 -22.955 1.00 0.00 C ATOM 1090 CD1 ILE A 921 -10.309 -0.200 -20.396 1.00 0.00 C ATOM 0 H ILE A 921 -11.571 -1.102 -24.432 1.00 0.00 H new ATOM 0 HA ILE A 921 -8.752 -0.362 -24.854 1.00 0.00 H new ATOM 0 HB ILE A 921 -8.467 -0.328 -22.401 1.00 0.00 H new ATOM 0 HG12 ILE A 921 -11.483 -0.451 -22.179 1.00 0.00 H new ATOM 0 HG13 ILE A 921 -10.401 -1.787 -21.843 1.00 0.00 H new ATOM 0 HG21 ILE A 921 -9.513 1.868 -21.966 1.00 0.00 H new ATOM 0 HG22 ILE A 921 -8.754 1.790 -23.574 1.00 0.00 H new ATOM 0 HG23 ILE A 921 -10.522 1.665 -23.418 1.00 0.00 H new ATOM 0 HD11 ILE A 921 -11.068 -0.655 -19.760 1.00 0.00 H new ATOM 0 HD12 ILE A 921 -9.319 -0.473 -20.031 1.00 0.00 H new ATOM 0 HD13 ILE A 921 -10.418 0.884 -20.372 1.00 0.00 H new ATOM 1262 N GLN B 5 -13.935 3.161 -16.230 1.00 0.00 N ATOM 1263 CA GLN B 5 -15.214 3.861 -16.005 1.00 0.00 C ATOM 1264 C GLN B 5 -16.103 3.964 -17.265 1.00 0.00 C ATOM 1265 O GLN B 5 -15.912 4.824 -18.124 1.00 0.00 O ATOM 1266 CB GLN B 5 -14.945 5.231 -15.352 1.00 0.00 C ATOM 1267 CG GLN B 5 -13.936 6.169 -16.052 1.00 0.00 C ATOM 1268 CD GLN B 5 -12.472 6.011 -15.624 1.00 0.00 C ATOM 1269 OE1 GLN B 5 -12.070 5.110 -14.898 1.00 0.00 O ATOM 1270 NE2 GLN B 5 -11.589 6.872 -16.082 1.00 0.00 N ATOM 0 HA GLN B 5 -15.803 3.253 -15.318 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -15.896 5.758 -15.273 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -14.592 5.056 -14.336 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -14.001 6.004 -17.127 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -14.239 7.200 -15.869 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -11.888 7.635 -16.689 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -10.605 6.776 -15.830 1.00 0.00 H new ATOM 1279 N THR B 6 -17.086 3.064 -17.387 1.00 0.00 N ATOM 1280 CA THR B 6 -18.026 3.003 -18.525 1.00 0.00 C ATOM 1281 C THR B 6 -18.976 4.204 -18.578 1.00 0.00 C ATOM 1282 O THR B 6 -19.651 4.522 -17.601 1.00 0.00 O ATOM 1283 CB THR B 6 -18.859 1.708 -18.512 1.00 0.00 C ATOM 1284 OG1 THR B 6 -19.179 1.296 -17.199 1.00 0.00 O ATOM 1285 CG2 THR B 6 -18.107 0.555 -19.163 1.00 0.00 C ATOM 0 H THR B 6 -17.258 2.342 -16.687 1.00 0.00 H new ATOM 0 HA THR B 6 -17.398 3.022 -19.416 1.00 0.00 H new ATOM 0 HB THR B 6 -19.768 1.942 -19.067 1.00 0.00 H new ATOM 0 HG1 THR B 6 -19.947 0.687 -17.225 1.00 0.00 H new ATOM 0 HG21 THR B 6 -18.724 -0.343 -19.136 1.00 0.00 H new ATOM 0 HG22 THR B 6 -17.879 0.808 -20.198 1.00 0.00 H new ATOM 0 HG23 THR B 6 -17.179 0.374 -18.621 1.00 0.00 H new