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 912 ASN : amide:sc= 0.485 K(o=0.7,f=-4.9) USER MOD Set 1.2: A 916 ASN : amide:sc= 0.212 K(o=0.7,f=-4.7!) USER MOD Set 2.1: A 868 CYS SG : rot -143:sc= 1.7 USER MOD Set 2.2: A 871 CYS SG : rot 180:sc= 1.13 USER MOD Set 2.3: A 873 LYS NZ :NH3+ 170:sc= 1.32 (180deg=1.18) USER MOD Set 2.4: A 893 CYS SG : rot 73:sc= -0.428 USER MOD Set 2.5: A 904 CYS SG : rot 180:sc= 0.0124 USER MOD Single : A 863 SER OG : rot 26:sc= 0.171 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= 1.86 K(o=1.9,f=-0.006) USER MOD Single : A 896 ASN : amide:sc= 0 X(o=0,f=-0.096) USER MOD Single : A 897 SER OG : rot 180:sc= 0 USER MOD Single : A 899 LYS NZ :NH3+ -178:sc= 1.05 (180deg=1.05) 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= 0.4 USER MOD Single : A 908 GLN : amide:sc= 1.97 K(o=2,f=-3.4!) USER MOD Single : A 910 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 911 SER OG : rot 180:sc= 0.022 USER MOD Single : B 5 GLN : amide:sc= -0.0892 K(o=-0.089,f=-0.75) USER MOD Single : B 6 THR OG1 : rot 95:sc= 0.747 USER MOD ----------------------------------------------------------------- ATOM 188 N SER A 863 -20.964 7.014 -13.635 1.00 0.00 N ATOM 189 CA SER A 863 -20.803 5.681 -13.024 1.00 0.00 C ATOM 190 C SER A 863 -19.753 4.768 -13.675 1.00 0.00 C ATOM 191 O SER A 863 -19.613 4.710 -14.904 1.00 0.00 O ATOM 192 CB SER A 863 -22.169 4.983 -13.019 1.00 0.00 C ATOM 193 OG SER A 863 -23.108 5.793 -12.329 1.00 0.00 O ATOM 0 HA SER A 863 -20.422 5.857 -12.018 1.00 0.00 H new ATOM 0 HB2 SER A 863 -22.504 4.808 -14.041 1.00 0.00 H new ATOM 0 HB3 SER A 863 -22.090 4.008 -12.538 1.00 0.00 H new ATOM 0 HG SER A 863 -22.826 6.730 -12.373 1.00 0.00 H new ATOM 199 N ALA A 864 -19.063 3.972 -12.852 1.00 0.00 N ATOM 200 CA ALA A 864 -17.815 3.278 -13.181 1.00 0.00 C ATOM 201 C ALA A 864 -17.882 1.754 -12.924 1.00 0.00 C ATOM 202 O ALA A 864 -18.951 1.206 -12.641 1.00 0.00 O ATOM 203 CB ALA A 864 -16.721 3.973 -12.353 1.00 0.00 C ATOM 0 H ALA A 864 -19.373 3.786 -11.898 1.00 0.00 H new ATOM 0 HA ALA A 864 -17.604 3.347 -14.248 1.00 0.00 H new ATOM 0 HB1 ALA A 864 -15.759 3.501 -12.552 1.00 0.00 H new ATOM 0 HB2 ALA A 864 -16.672 5.027 -12.627 1.00 0.00 H new ATOM 0 HB3 ALA A 864 -16.956 3.884 -11.292 1.00 0.00 H new ATOM 209 N TRP A 865 -16.751 1.057 -13.043 1.00 0.00 N ATOM 210 CA TRP A 865 -16.540 -0.265 -12.422 1.00 0.00 C ATOM 211 C TRP A 865 -15.635 -0.176 -11.181 1.00 0.00 C ATOM 212 O TRP A 865 -15.098 0.883 -10.853 1.00 0.00 O ATOM 213 CB TRP A 865 -15.985 -1.227 -13.476 1.00 0.00 C ATOM 214 CG TRP A 865 -16.948 -1.527 -14.581 1.00 0.00 C ATOM 215 CD1 TRP A 865 -17.236 -0.691 -15.598 1.00 0.00 C ATOM 216 CD2 TRP A 865 -17.796 -2.700 -14.780 1.00 0.00 C ATOM 217 NE1 TRP A 865 -18.219 -1.238 -16.391 1.00 0.00 N ATOM 218 CE2 TRP A 865 -18.609 -2.483 -15.932 1.00 0.00 C ATOM 219 CE3 TRP A 865 -17.927 -3.943 -14.125 1.00 0.00 C ATOM 220 CZ2 TRP A 865 -19.528 -3.446 -16.383 1.00 0.00 C ATOM 221 CZ3 TRP A 865 -18.805 -4.939 -14.601 1.00 0.00 C ATOM 222 CH2 TRP A 865 -19.612 -4.684 -15.720 1.00 0.00 C ATOM 0 H TRP A 865 -15.947 1.390 -13.575 1.00 0.00 H new ATOM 0 HA TRP A 865 -17.495 -0.650 -12.064 1.00 0.00 H new ATOM 0 HB2 TRP A 865 -15.077 -0.800 -13.903 1.00 0.00 H new ATOM 0 HB3 TRP A 865 -15.701 -2.160 -12.990 1.00 0.00 H new ATOM 0 HD1 TRP A 865 -16.765 0.266 -15.766 1.00 0.00 H new ATOM 0 HE1 TRP A 865 -18.611 -0.782 -17.215 1.00 0.00 H new ATOM 0 HE3 TRP A 865 -17.341 -4.136 -13.238 1.00 0.00 H new ATOM 0 HZ2 TRP A 865 -20.164 -3.238 -17.231 1.00 0.00 H new ATOM 0 HZ3 TRP A 865 -18.856 -5.897 -14.105 1.00 0.00 H new ATOM 0 HH2 TRP A 865 -20.299 -5.439 -16.073 1.00 0.00 H new ATOM 233 N VAL A 866 -15.460 -1.311 -10.501 1.00 0.00 N ATOM 234 CA VAL A 866 -14.391 -1.560 -9.513 1.00 0.00 C ATOM 235 C VAL A 866 -13.927 -3.021 -9.569 1.00 0.00 C ATOM 236 O VAL A 866 -14.719 -3.914 -9.881 1.00 0.00 O ATOM 237 CB VAL A 866 -14.818 -1.121 -8.101 1.00 0.00 C ATOM 238 CG1 VAL A 866 -16.010 -1.922 -7.576 1.00 0.00 C ATOM 239 CG2 VAL A 866 -13.679 -1.196 -7.080 1.00 0.00 C ATOM 0 H VAL A 866 -16.077 -2.114 -10.622 1.00 0.00 H new ATOM 0 HA VAL A 866 -13.530 -0.945 -9.774 1.00 0.00 H new ATOM 0 HB VAL A 866 -15.112 -0.077 -8.214 1.00 0.00 H new ATOM 0 HG11 VAL A 866 -16.271 -1.573 -6.577 1.00 0.00 H new ATOM 0 HG12 VAL A 866 -16.862 -1.786 -8.242 1.00 0.00 H new ATOM 0 HG13 VAL A 866 -15.748 -2.979 -7.534 1.00 0.00 H new ATOM 0 HG21 VAL A 866 -14.043 -0.874 -6.104 1.00 0.00 H new ATOM 0 HG22 VAL A 866 -13.318 -2.222 -7.012 1.00 0.00 H new ATOM 0 HG23 VAL A 866 -12.864 -0.545 -7.396 1.00 0.00 H new ATOM 249 N ARG A 867 -12.630 -3.246 -9.320 1.00 0.00 N ATOM 250 CA ARG A 867 -11.958 -4.559 -9.295 1.00 0.00 C ATOM 251 C ARG A 867 -11.852 -5.115 -7.871 1.00 0.00 C ATOM 252 O ARG A 867 -11.543 -4.363 -6.946 1.00 0.00 O ATOM 253 CB ARG A 867 -10.548 -4.378 -9.878 1.00 0.00 C ATOM 254 CG ARG A 867 -9.922 -5.645 -10.472 1.00 0.00 C ATOM 255 CD ARG A 867 -8.509 -5.391 -11.034 1.00 0.00 C ATOM 256 NE ARG A 867 -7.455 -6.133 -10.310 1.00 0.00 N ATOM 257 CZ ARG A 867 -7.069 -5.937 -9.058 1.00 0.00 C ATOM 258 NH1 ARG A 867 -7.510 -4.934 -8.353 1.00 0.00 N1+ ATOM 259 NH2 ARG A 867 -6.222 -6.739 -8.487 1.00 0.00 N ATOM 0 H ARG A 867 -11.986 -2.481 -9.120 1.00 0.00 H new ATOM 0 HA ARG A 867 -12.542 -5.268 -9.881 1.00 0.00 H new ATOM 0 HB2 ARG A 867 -10.588 -3.613 -10.654 1.00 0.00 H new ATOM 0 HB3 ARG A 867 -9.893 -4.002 -9.093 1.00 0.00 H new ATOM 0 HG2 ARG A 867 -9.872 -6.417 -9.704 1.00 0.00 H new ATOM 0 HG3 ARG A 867 -10.563 -6.026 -11.266 1.00 0.00 H new ATOM 0 HD2 ARG A 867 -8.487 -5.674 -12.086 1.00 0.00 H new ATOM 0 HD3 ARG A 867 -8.292 -4.324 -10.986 1.00 0.00 H new ATOM 0 HE ARG A 867 -6.976 -6.871 -10.827 1.00 0.00 H new ATOM 0 HH11 ARG A 867 -8.171 -4.274 -8.763 1.00 0.00 H new ATOM 0 HH12 ARG A 867 -7.195 -4.809 -7.391 1.00 0.00 H new ATOM 0 HH21 ARG A 867 -5.844 -7.533 -9.003 1.00 0.00 H new ATOM 0 HH22 ARG A 867 -5.935 -6.575 -7.522 1.00 0.00 H new ATOM 273 N CYS A 868 -12.002 -6.427 -7.711 1.00 0.00 N ATOM 274 CA CYS A 868 -11.674 -7.135 -6.484 1.00 0.00 C ATOM 275 C CYS A 868 -10.145 -7.275 -6.294 1.00 0.00 C ATOM 276 O CYS A 868 -9.430 -7.784 -7.161 1.00 0.00 O ATOM 277 CB CYS A 868 -12.402 -8.480 -6.503 1.00 0.00 C ATOM 278 SG CYS A 868 -11.994 -9.434 -5.006 1.00 0.00 S ATOM 0 H CYS A 868 -12.362 -7.036 -8.446 1.00 0.00 H new ATOM 0 HA CYS A 868 -12.012 -6.565 -5.619 1.00 0.00 H new ATOM 0 HB2 CYS A 868 -13.479 -8.319 -6.559 1.00 0.00 H new ATOM 0 HB3 CYS A 868 -12.118 -9.044 -7.392 1.00 0.00 H new ATOM 0 HG CYS A 868 -11.895 -10.694 -5.308 1.00 0.00 H new ATOM 283 N ASP A 869 -9.658 -6.841 -5.134 1.00 0.00 N ATOM 284 CA ASP A 869 -8.273 -7.017 -4.686 1.00 0.00 C ATOM 285 C ASP A 869 -7.974 -8.381 -4.030 1.00 0.00 C ATOM 286 O ASP A 869 -6.804 -8.706 -3.819 1.00 0.00 O ATOM 287 CB ASP A 869 -7.917 -5.858 -3.749 1.00 0.00 C ATOM 288 CG ASP A 869 -7.871 -4.510 -4.483 1.00 0.00 C ATOM 289 OD1 ASP A 869 -7.260 -4.440 -5.577 1.00 0.00 O ATOM 290 OD2 ASP A 869 -8.321 -3.486 -3.924 1.00 0.00 O1- ATOM 0 H ASP A 869 -10.233 -6.341 -4.456 1.00 0.00 H new ATOM 0 HA ASP A 869 -7.643 -7.008 -5.575 1.00 0.00 H new ATOM 0 HB2 ASP A 869 -8.650 -5.806 -2.944 1.00 0.00 H new ATOM 0 HB3 ASP A 869 -6.949 -6.051 -3.287 1.00 0.00 H new ATOM 295 N ASP A 870 -8.993 -9.193 -3.722 1.00 0.00 N ATOM 296 CA ASP A 870 -8.823 -10.582 -3.258 1.00 0.00 C ATOM 297 C ASP A 870 -8.748 -11.592 -4.421 1.00 0.00 C ATOM 298 O ASP A 870 -8.079 -12.623 -4.283 1.00 0.00 O ATOM 299 CB ASP A 870 -9.930 -10.975 -2.256 1.00 0.00 C ATOM 300 CG ASP A 870 -9.604 -10.679 -0.779 1.00 0.00 C ATOM 301 OD1 ASP A 870 -8.639 -9.937 -0.472 1.00 0.00 O ATOM 302 OD2 ASP A 870 -10.323 -11.205 0.103 1.00 0.00 O1- ATOM 0 H ASP A 870 -9.969 -8.905 -3.787 1.00 0.00 H new ATOM 0 HA ASP A 870 -7.863 -10.622 -2.744 1.00 0.00 H new ATOM 0 HB2 ASP A 870 -10.846 -10.448 -2.523 1.00 0.00 H new ATOM 0 HB3 ASP A 870 -10.133 -12.041 -2.361 1.00 0.00 H new ATOM 307 N CYS A 871 -9.366 -11.287 -5.572 1.00 0.00 N ATOM 308 CA CYS A 871 -9.156 -11.979 -6.839 1.00 0.00 C ATOM 309 C CYS A 871 -8.842 -10.985 -7.994 1.00 0.00 C ATOM 310 O CYS A 871 -7.686 -10.605 -8.203 1.00 0.00 O ATOM 311 CB CYS A 871 -10.284 -13.028 -7.060 1.00 0.00 C ATOM 312 SG CYS A 871 -11.959 -12.417 -7.504 1.00 0.00 S ATOM 0 H CYS A 871 -10.044 -10.529 -5.642 1.00 0.00 H new ATOM 0 HA CYS A 871 -8.246 -12.578 -6.817 1.00 0.00 H new ATOM 0 HB2 CYS A 871 -9.958 -13.708 -7.847 1.00 0.00 H new ATOM 0 HB3 CYS A 871 -10.375 -13.617 -6.147 1.00 0.00 H new ATOM 0 HG CYS A 871 -12.765 -13.427 -7.650 1.00 0.00 H new ATOM 317 N PHE A 872 -9.879 -10.587 -8.727 1.00 0.00 N ATOM 318 CA PHE A 872 -9.879 -9.681 -9.886 1.00 0.00 C ATOM 319 C PHE A 872 -11.299 -9.269 -10.336 1.00 0.00 C ATOM 320 O PHE A 872 -11.427 -8.302 -11.085 1.00 0.00 O ATOM 321 CB PHE A 872 -9.188 -10.360 -11.080 1.00 0.00 C ATOM 322 CG PHE A 872 -9.969 -11.508 -11.702 1.00 0.00 C ATOM 323 CD1 PHE A 872 -9.871 -12.807 -11.168 1.00 0.00 C ATOM 324 CD2 PHE A 872 -10.827 -11.268 -12.793 1.00 0.00 C ATOM 325 CE1 PHE A 872 -10.633 -13.856 -11.713 1.00 0.00 C ATOM 326 CE2 PHE A 872 -11.590 -12.316 -13.339 1.00 0.00 C ATOM 327 CZ PHE A 872 -11.493 -13.611 -12.799 1.00 0.00 C ATOM 0 H PHE A 872 -10.821 -10.914 -8.513 1.00 0.00 H new ATOM 0 HA PHE A 872 -9.347 -8.784 -9.569 1.00 0.00 H new ATOM 0 HB2 PHE A 872 -9.000 -9.609 -11.848 1.00 0.00 H new ATOM 0 HB3 PHE A 872 -8.217 -10.734 -10.755 1.00 0.00 H new ATOM 0 HD1 PHE A 872 -9.208 -12.999 -10.337 1.00 0.00 H new ATOM 0 HD2 PHE A 872 -10.899 -10.275 -13.212 1.00 0.00 H new ATOM 0 HE1 PHE A 872 -10.558 -14.850 -11.298 1.00 0.00 H new ATOM 0 HE2 PHE A 872 -12.250 -12.126 -14.173 1.00 0.00 H new ATOM 0 HZ PHE A 872 -12.078 -14.416 -13.218 1.00 0.00 H new ATOM 337 N LYS A 873 -12.358 -10.000 -9.936 1.00 0.00 N ATOM 338 CA LYS A 873 -13.750 -9.797 -10.389 1.00 0.00 C ATOM 339 C LYS A 873 -14.200 -8.336 -10.406 1.00 0.00 C ATOM 340 O LYS A 873 -13.915 -7.555 -9.499 1.00 0.00 O ATOM 341 CB LYS A 873 -14.754 -10.607 -9.565 1.00 0.00 C ATOM 342 CG LYS A 873 -14.855 -12.064 -10.023 1.00 0.00 C ATOM 343 CD LYS A 873 -16.291 -12.592 -9.978 1.00 0.00 C ATOM 344 CE LYS A 873 -16.948 -12.499 -8.588 1.00 0.00 C ATOM 345 NZ LYS A 873 -17.940 -11.401 -8.488 1.00 0.00 N1+ ATOM 0 H LYS A 873 -12.267 -10.768 -9.271 1.00 0.00 H new ATOM 0 HA LYS A 873 -13.740 -10.154 -11.419 1.00 0.00 H new ATOM 0 HB2 LYS A 873 -14.462 -10.580 -8.515 1.00 0.00 H new ATOM 0 HB3 LYS A 873 -15.736 -10.140 -9.635 1.00 0.00 H new ATOM 0 HG2 LYS A 873 -14.471 -12.150 -11.040 1.00 0.00 H new ATOM 0 HG3 LYS A 873 -14.222 -12.686 -9.390 1.00 0.00 H new ATOM 0 HD2 LYS A 873 -16.895 -12.033 -10.693 1.00 0.00 H new ATOM 0 HD3 LYS A 873 -16.295 -13.633 -10.302 1.00 0.00 H new ATOM 0 HE2 LYS A 873 -17.438 -13.446 -8.360 1.00 0.00 H new ATOM 0 HE3 LYS A 873 -16.174 -12.351 -7.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 873 -18.468 -11.490 -7.597 1.00 0.00 H new ATOM 0 HZ2 LYS A 873 -17.447 -10.485 -8.508 1.00 0.00 H new ATOM 0 HZ3 LYS A 873 -18.601 -11.456 -9.289 1.00 0.00 H new ATOM 359 N TRP A 874 -14.972 -8.010 -11.432 1.00 0.00 N ATOM 360 CA TRP A 874 -15.475 -6.670 -11.723 1.00 0.00 C ATOM 361 C TRP A 874 -16.937 -6.502 -11.306 1.00 0.00 C ATOM 362 O TRP A 874 -17.717 -7.453 -11.378 1.00 0.00 O ATOM 363 CB TRP A 874 -15.256 -6.381 -13.211 1.00 0.00 C ATOM 364 CG TRP A 874 -13.829 -6.518 -13.632 1.00 0.00 C ATOM 365 CD1 TRP A 874 -13.229 -7.603 -14.173 1.00 0.00 C ATOM 366 CD2 TRP A 874 -12.779 -5.529 -13.468 1.00 0.00 C ATOM 367 NE1 TRP A 874 -11.898 -7.324 -14.409 1.00 0.00 N ATOM 368 CE2 TRP A 874 -11.571 -6.051 -14.012 1.00 0.00 C ATOM 369 CE3 TRP A 874 -12.742 -4.228 -12.931 1.00 0.00 C ATOM 370 CZ2 TRP A 874 -10.388 -5.308 -14.049 1.00 0.00 C ATOM 371 CZ3 TRP A 874 -11.558 -3.476 -12.981 1.00 0.00 C ATOM 372 CH2 TRP A 874 -10.380 -4.007 -13.527 1.00 0.00 C ATOM 0 H TRP A 874 -15.280 -8.701 -12.116 1.00 0.00 H new ATOM 0 HA TRP A 874 -14.922 -5.939 -11.133 1.00 0.00 H new ATOM 0 HB2 TRP A 874 -15.869 -7.062 -13.801 1.00 0.00 H new ATOM 0 HB3 TRP A 874 -15.598 -5.370 -13.433 1.00 0.00 H new ATOM 0 HD1 TRP A 874 -13.716 -8.543 -14.387 1.00 0.00 H new ATOM 0 HE1 TRP A 874 -11.239 -7.982 -14.826 1.00 0.00 H new ATOM 0 HE3 TRP A 874 -13.628 -3.807 -12.479 1.00 0.00 H new ATOM 0 HZ2 TRP A 874 -9.490 -5.731 -14.475 1.00 0.00 H new ATOM 0 HZ3 TRP A 874 -11.554 -2.469 -12.591 1.00 0.00 H new ATOM 0 HH2 TRP A 874 -9.475 -3.419 -13.545 1.00 0.00 H new ATOM 383 N ARG A 875 -17.323 -5.284 -10.914 1.00 0.00 N ATOM 384 CA ARG A 875 -18.703 -4.898 -10.567 1.00 0.00 C ATOM 385 C ARG A 875 -18.974 -3.459 -10.997 1.00 0.00 C ATOM 386 O ARG A 875 -18.112 -2.597 -10.831 1.00 0.00 O ATOM 387 CB ARG A 875 -18.952 -5.048 -9.051 1.00 0.00 C ATOM 388 CG ARG A 875 -19.005 -6.497 -8.535 1.00 0.00 C ATOM 389 CD ARG A 875 -20.091 -7.380 -9.163 1.00 0.00 C ATOM 390 NE ARG A 875 -21.446 -6.795 -9.073 1.00 0.00 N ATOM 391 CZ ARG A 875 -22.448 -7.085 -9.882 1.00 0.00 C ATOM 392 NH1 ARG A 875 -22.370 -8.015 -10.782 1.00 0.00 N1+ ATOM 393 NH2 ARG A 875 -23.580 -6.460 -9.834 1.00 0.00 N ATOM 0 H ARG A 875 -16.664 -4.510 -10.825 1.00 0.00 H new ATOM 0 HA ARG A 875 -19.384 -5.564 -11.097 1.00 0.00 H new ATOM 0 HB2 ARG A 875 -18.165 -4.517 -8.516 1.00 0.00 H new ATOM 0 HB3 ARG A 875 -19.893 -4.557 -8.803 1.00 0.00 H new ATOM 0 HG2 ARG A 875 -18.035 -6.963 -8.711 1.00 0.00 H new ATOM 0 HG3 ARG A 875 -19.157 -6.475 -7.456 1.00 0.00 H new ATOM 0 HD2 ARG A 875 -19.847 -7.554 -10.211 1.00 0.00 H new ATOM 0 HD3 ARG A 875 -20.089 -8.352 -8.670 1.00 0.00 H new ATOM 0 HE ARG A 875 -21.619 -6.117 -8.331 1.00 0.00 H new ATOM 0 HH11 ARG A 875 -21.510 -8.554 -10.885 1.00 0.00 H new ATOM 0 HH12 ARG A 875 -23.168 -8.207 -11.387 1.00 0.00 H new ATOM 0 HH21 ARG A 875 -23.722 -5.714 -9.153 1.00 0.00 H new ATOM 0 HH22 ARG A 875 -24.330 -6.714 -10.477 1.00 0.00 H new ATOM 407 N ARG A 876 -20.165 -3.210 -11.545 1.00 0.00 N ATOM 408 CA ARG A 876 -20.662 -1.882 -11.944 1.00 0.00 C ATOM 409 C ARG A 876 -21.095 -1.091 -10.699 1.00 0.00 C ATOM 410 O ARG A 876 -21.872 -1.603 -9.890 1.00 0.00 O ATOM 411 CB ARG A 876 -21.823 -2.096 -12.938 1.00 0.00 C ATOM 412 CG ARG A 876 -22.211 -0.860 -13.765 1.00 0.00 C ATOM 413 CD ARG A 876 -21.319 -0.740 -15.007 1.00 0.00 C ATOM 414 NE ARG A 876 -21.758 0.345 -15.906 1.00 0.00 N ATOM 415 CZ ARG A 876 -21.349 1.596 -15.879 1.00 0.00 C ATOM 416 NH1 ARG A 876 -20.496 2.020 -14.996 1.00 0.00 N1+ ATOM 417 NH2 ARG A 876 -21.781 2.473 -16.736 1.00 0.00 N ATOM 0 H ARG A 876 -20.839 -3.953 -11.732 1.00 0.00 H new ATOM 0 HA ARG A 876 -19.884 -1.295 -12.432 1.00 0.00 H new ATOM 0 HB2 ARG A 876 -21.552 -2.900 -13.622 1.00 0.00 H new ATOM 0 HB3 ARG A 876 -22.699 -2.432 -12.383 1.00 0.00 H new ATOM 0 HG2 ARG A 876 -23.256 -0.931 -14.067 1.00 0.00 H new ATOM 0 HG3 ARG A 876 -22.116 0.038 -13.154 1.00 0.00 H new ATOM 0 HD2 ARG A 876 -20.290 -0.559 -14.697 1.00 0.00 H new ATOM 0 HD3 ARG A 876 -21.326 -1.685 -15.550 1.00 0.00 H new ATOM 0 HE ARG A 876 -22.446 0.102 -16.618 1.00 0.00 H new ATOM 0 HH11 ARG A 876 -20.123 1.377 -14.297 1.00 0.00 H new ATOM 0 HH12 ARG A 876 -20.199 2.996 -15.002 1.00 0.00 H new ATOM 0 HH21 ARG A 876 -22.453 2.198 -17.452 1.00 0.00 H new ATOM 0 HH22 ARG A 876 -21.447 3.436 -16.692 1.00 0.00 H new ATOM 431 N ILE A 877 -20.602 0.139 -10.541 1.00 0.00 N ATOM 432 CA ILE A 877 -20.813 0.999 -9.356 1.00 0.00 C ATOM 433 C ILE A 877 -21.157 2.450 -9.735 1.00 0.00 C ATOM 434 O ILE A 877 -20.736 2.920 -10.795 1.00 0.00 O ATOM 435 CB ILE A 877 -19.569 0.975 -8.430 1.00 0.00 C ATOM 436 CG1 ILE A 877 -18.327 1.594 -9.120 1.00 0.00 C ATOM 437 CG2 ILE A 877 -19.314 -0.453 -7.907 1.00 0.00 C ATOM 438 CD1 ILE A 877 -17.144 1.833 -8.181 1.00 0.00 C ATOM 0 H ILE A 877 -20.025 0.586 -11.253 1.00 0.00 H new ATOM 0 HA ILE A 877 -21.669 0.588 -8.821 1.00 0.00 H new ATOM 0 HB ILE A 877 -19.772 1.605 -7.564 1.00 0.00 H new ATOM 0 HG12 ILE A 877 -18.008 0.936 -9.928 1.00 0.00 H new ATOM 0 HG13 ILE A 877 -18.613 2.542 -9.575 1.00 0.00 H new ATOM 0 HG21 ILE A 877 -18.438 -0.452 -7.259 1.00 0.00 H new ATOM 0 HG22 ILE A 877 -20.182 -0.794 -7.343 1.00 0.00 H new ATOM 0 HG23 ILE A 877 -19.142 -1.124 -8.749 1.00 0.00 H new ATOM 0 HD11 ILE A 877 -16.316 2.268 -8.742 1.00 0.00 H new ATOM 0 HD12 ILE A 877 -17.443 2.517 -7.386 1.00 0.00 H new ATOM 0 HD13 ILE A 877 -16.829 0.885 -7.745 1.00 0.00 H new ATOM 450 N PRO A 878 -21.842 3.217 -8.866 1.00 0.00 N ATOM 451 CA PRO A 878 -21.892 4.671 -8.995 1.00 0.00 C ATOM 452 C PRO A 878 -20.507 5.295 -8.748 1.00 0.00 C ATOM 453 O PRO A 878 -19.717 4.808 -7.935 1.00 0.00 O ATOM 454 CB PRO A 878 -22.930 5.132 -7.967 1.00 0.00 C ATOM 455 CG PRO A 878 -22.817 4.077 -6.867 1.00 0.00 C ATOM 456 CD PRO A 878 -22.518 2.795 -7.645 1.00 0.00 C ATOM 0 HA PRO A 878 -22.172 4.987 -10.000 1.00 0.00 H new ATOM 0 HB2 PRO A 878 -22.710 6.131 -7.592 1.00 0.00 H new ATOM 0 HB3 PRO A 878 -23.933 5.165 -8.393 1.00 0.00 H new ATOM 0 HG2 PRO A 878 -22.021 4.315 -6.161 1.00 0.00 H new ATOM 0 HG3 PRO A 878 -23.739 3.994 -6.292 1.00 0.00 H new ATOM 0 HD2 PRO A 878 -21.888 2.122 -7.062 1.00 0.00 H new ATOM 0 HD3 PRO A 878 -23.436 2.254 -7.874 1.00 0.00 H new ATOM 464 N ALA A 879 -20.221 6.424 -9.401 1.00 0.00 N ATOM 465 CA ALA A 879 -18.957 7.157 -9.242 1.00 0.00 C ATOM 466 C ALA A 879 -18.701 7.650 -7.800 1.00 0.00 C ATOM 467 O ALA A 879 -17.552 7.828 -7.400 1.00 0.00 O ATOM 468 CB ALA A 879 -18.963 8.325 -10.231 1.00 0.00 C ATOM 0 H ALA A 879 -20.864 6.861 -10.061 1.00 0.00 H new ATOM 0 HA ALA A 879 -18.136 6.471 -9.452 1.00 0.00 H new ATOM 0 HB1 ALA A 879 -18.035 8.888 -10.135 1.00 0.00 H new ATOM 0 HB2 ALA A 879 -19.051 7.941 -11.247 1.00 0.00 H new ATOM 0 HB3 ALA A 879 -19.808 8.979 -10.016 1.00 0.00 H new ATOM 474 N SER A 880 -19.746 7.775 -6.977 1.00 0.00 N ATOM 475 CA SER A 880 -19.626 8.073 -5.538 1.00 0.00 C ATOM 476 C SER A 880 -18.835 7.001 -4.772 1.00 0.00 C ATOM 477 O SER A 880 -18.210 7.308 -3.757 1.00 0.00 O ATOM 478 CB SER A 880 -21.013 8.222 -4.896 1.00 0.00 C ATOM 479 OG SER A 880 -21.733 9.310 -5.459 1.00 0.00 O ATOM 0 H SER A 880 -20.711 7.672 -7.290 1.00 0.00 H new ATOM 0 HA SER A 880 -19.076 9.012 -5.468 1.00 0.00 H new ATOM 0 HB2 SER A 880 -21.579 7.300 -5.032 1.00 0.00 H new ATOM 0 HB3 SER A 880 -20.904 8.373 -3.822 1.00 0.00 H new ATOM 0 HG SER A 880 -22.612 9.377 -5.031 1.00 0.00 H new ATOM 485 N VAL A 881 -18.803 5.756 -5.271 1.00 0.00 N ATOM 486 CA VAL A 881 -17.936 4.688 -4.744 1.00 0.00 C ATOM 487 C VAL A 881 -16.549 4.778 -5.358 1.00 0.00 C ATOM 488 O VAL A 881 -15.564 4.645 -4.639 1.00 0.00 O ATOM 489 CB VAL A 881 -18.573 3.295 -4.945 1.00 0.00 C ATOM 490 CG1 VAL A 881 -17.681 2.112 -4.556 1.00 0.00 C ATOM 491 CG2 VAL A 881 -19.857 3.176 -4.113 1.00 0.00 C ATOM 0 H VAL A 881 -19.381 5.459 -6.057 1.00 0.00 H new ATOM 0 HA VAL A 881 -17.830 4.830 -3.668 1.00 0.00 H new ATOM 0 HB VAL A 881 -18.756 3.235 -6.018 1.00 0.00 H new ATOM 0 HG11 VAL A 881 -18.216 1.179 -4.733 1.00 0.00 H new ATOM 0 HG12 VAL A 881 -16.772 2.129 -5.157 1.00 0.00 H new ATOM 0 HG13 VAL A 881 -17.419 2.185 -3.500 1.00 0.00 H new ATOM 0 HG21 VAL A 881 -20.297 2.190 -4.262 1.00 0.00 H new ATOM 0 HG22 VAL A 881 -19.621 3.312 -3.058 1.00 0.00 H new ATOM 0 HG23 VAL A 881 -20.566 3.942 -4.427 1.00 0.00 H new ATOM 501 N VAL A 882 -16.434 5.100 -6.649 1.00 0.00 N ATOM 502 CA VAL A 882 -15.110 5.175 -7.301 1.00 0.00 C ATOM 503 C VAL A 882 -14.250 6.343 -6.786 1.00 0.00 C ATOM 504 O VAL A 882 -13.026 6.310 -6.900 1.00 0.00 O ATOM 505 CB VAL A 882 -15.220 5.132 -8.843 1.00 0.00 C ATOM 506 CG1 VAL A 882 -15.158 6.493 -9.549 1.00 0.00 C ATOM 507 CG2 VAL A 882 -14.106 4.258 -9.432 1.00 0.00 C ATOM 0 H VAL A 882 -17.223 5.311 -7.261 1.00 0.00 H new ATOM 0 HA VAL A 882 -14.570 4.275 -7.008 1.00 0.00 H new ATOM 0 HB VAL A 882 -16.214 4.723 -9.024 1.00 0.00 H new ATOM 0 HG11 VAL A 882 -15.244 6.348 -10.626 1.00 0.00 H new ATOM 0 HG12 VAL A 882 -15.978 7.121 -9.200 1.00 0.00 H new ATOM 0 HG13 VAL A 882 -14.208 6.977 -9.323 1.00 0.00 H new ATOM 0 HG21 VAL A 882 -14.196 4.237 -10.518 1.00 0.00 H new ATOM 0 HG22 VAL A 882 -13.136 4.671 -9.156 1.00 0.00 H new ATOM 0 HG23 VAL A 882 -14.194 3.244 -9.041 1.00 0.00 H new ATOM 517 N GLY A 883 -14.883 7.344 -6.164 1.00 0.00 N ATOM 518 CA GLY A 883 -14.222 8.424 -5.417 1.00 0.00 C ATOM 519 C GLY A 883 -13.956 8.112 -3.936 1.00 0.00 C ATOM 520 O GLY A 883 -13.086 8.736 -3.326 1.00 0.00 O ATOM 0 H GLY A 883 -15.899 7.429 -6.166 1.00 0.00 H new ATOM 0 HA2 GLY A 883 -13.273 8.654 -5.902 1.00 0.00 H new ATOM 0 HA3 GLY A 883 -14.838 9.321 -5.480 1.00 0.00 H new ATOM 524 N SER A 884 -14.684 7.154 -3.349 1.00 0.00 N ATOM 525 CA SER A 884 -14.486 6.678 -1.969 1.00 0.00 C ATOM 526 C SER A 884 -13.380 5.614 -1.876 1.00 0.00 C ATOM 527 O SER A 884 -12.621 5.578 -0.906 1.00 0.00 O ATOM 528 CB SER A 884 -15.815 6.126 -1.432 1.00 0.00 C ATOM 529 OG SER A 884 -15.735 5.805 -0.052 1.00 0.00 O ATOM 0 H SER A 884 -15.446 6.675 -3.830 1.00 0.00 H new ATOM 0 HA SER A 884 -14.161 7.521 -1.359 1.00 0.00 H new ATOM 0 HB2 SER A 884 -16.604 6.862 -1.589 1.00 0.00 H new ATOM 0 HB3 SER A 884 -16.093 5.236 -1.996 1.00 0.00 H new ATOM 0 HG SER A 884 -16.599 5.459 0.254 1.00 0.00 H new ATOM 535 N ILE A 885 -13.270 4.756 -2.896 1.00 0.00 N ATOM 536 CA ILE A 885 -12.211 3.751 -3.049 1.00 0.00 C ATOM 537 C ILE A 885 -10.907 4.459 -3.463 1.00 0.00 C ATOM 538 O ILE A 885 -10.803 5.041 -4.542 1.00 0.00 O ATOM 539 CB ILE A 885 -12.681 2.650 -4.038 1.00 0.00 C ATOM 540 CG1 ILE A 885 -13.532 1.547 -3.363 1.00 0.00 C ATOM 541 CG2 ILE A 885 -11.523 1.910 -4.720 1.00 0.00 C ATOM 542 CD1 ILE A 885 -14.710 2.046 -2.522 1.00 0.00 C ATOM 0 H ILE A 885 -13.940 4.741 -3.665 1.00 0.00 H new ATOM 0 HA ILE A 885 -12.003 3.240 -2.109 1.00 0.00 H new ATOM 0 HB ILE A 885 -13.268 3.212 -4.765 1.00 0.00 H new ATOM 0 HG12 ILE A 885 -13.916 0.884 -4.138 1.00 0.00 H new ATOM 0 HG13 ILE A 885 -12.881 0.949 -2.726 1.00 0.00 H new ATOM 0 HG21 ILE A 885 -11.922 1.155 -5.397 1.00 0.00 H new ATOM 0 HG22 ILE A 885 -10.919 2.621 -5.284 1.00 0.00 H new ATOM 0 HG23 ILE A 885 -10.904 1.428 -3.964 1.00 0.00 H new ATOM 0 HD11 ILE A 885 -15.239 1.194 -2.095 1.00 0.00 H new ATOM 0 HD12 ILE A 885 -14.340 2.683 -1.719 1.00 0.00 H new ATOM 0 HD13 ILE A 885 -15.391 2.617 -3.153 1.00 0.00 H new ATOM 603 N ARG A 890 -8.823 -0.866 -0.158 1.00 0.00 N ATOM 604 CA ARG A 890 -9.012 -2.069 -0.984 1.00 0.00 C ATOM 605 C ARG A 890 -10.478 -2.511 -1.020 1.00 0.00 C ATOM 606 O ARG A 890 -11.137 -2.599 0.018 1.00 0.00 O ATOM 607 CB ARG A 890 -8.039 -3.189 -0.556 1.00 0.00 C ATOM 608 CG ARG A 890 -8.317 -3.826 0.815 1.00 0.00 C ATOM 609 CD ARG A 890 -7.154 -4.718 1.284 1.00 0.00 C ATOM 610 NE ARG A 890 -6.775 -5.746 0.291 1.00 0.00 N ATOM 611 CZ ARG A 890 -7.321 -6.936 0.113 1.00 0.00 C ATOM 612 NH1 ARG A 890 -8.312 -7.386 0.821 1.00 0.00 N1+ ATOM 613 NH2 ARG A 890 -6.886 -7.742 -0.804 1.00 0.00 N ATOM 0 HA ARG A 890 -8.761 -1.821 -2.015 1.00 0.00 H new ATOM 0 HB2 ARG A 890 -8.062 -3.974 -1.312 1.00 0.00 H new ATOM 0 HB3 ARG A 890 -7.027 -2.783 -0.549 1.00 0.00 H new ATOM 0 HG2 ARG A 890 -8.491 -3.041 1.551 1.00 0.00 H new ATOM 0 HG3 ARG A 890 -9.230 -4.419 0.760 1.00 0.00 H new ATOM 0 HD2 ARG A 890 -6.288 -4.092 1.499 1.00 0.00 H new ATOM 0 HD3 ARG A 890 -7.433 -5.208 2.217 1.00 0.00 H new ATOM 0 HE ARG A 890 -6.001 -5.509 -0.330 1.00 0.00 H new ATOM 0 HH11 ARG A 890 -8.712 -6.811 1.563 1.00 0.00 H new ATOM 0 HH12 ARG A 890 -8.691 -8.315 0.636 1.00 0.00 H new ATOM 0 HH21 ARG A 890 -6.110 -7.461 -1.403 1.00 0.00 H new ATOM 0 HH22 ARG A 890 -7.320 -8.657 -0.927 1.00 0.00 H new ATOM 627 N TRP A 891 -10.981 -2.773 -2.222 1.00 0.00 N ATOM 628 CA TRP A 891 -12.343 -3.246 -2.504 1.00 0.00 C ATOM 629 C TRP A 891 -12.321 -4.726 -2.911 1.00 0.00 C ATOM 630 O TRP A 891 -11.440 -5.138 -3.665 1.00 0.00 O ATOM 631 CB TRP A 891 -12.951 -2.355 -3.597 1.00 0.00 C ATOM 632 CG TRP A 891 -14.422 -2.499 -3.845 1.00 0.00 C ATOM 633 CD1 TRP A 891 -15.341 -1.603 -3.432 1.00 0.00 C ATOM 634 CD2 TRP A 891 -15.177 -3.543 -4.540 1.00 0.00 C ATOM 635 NE1 TRP A 891 -16.595 -1.963 -3.867 1.00 0.00 N ATOM 636 CE2 TRP A 891 -16.564 -3.187 -4.497 1.00 0.00 C ATOM 637 CE3 TRP A 891 -14.845 -4.754 -5.191 1.00 0.00 C ATOM 638 CZ2 TRP A 891 -17.570 -4.007 -5.016 1.00 0.00 C ATOM 639 CZ3 TRP A 891 -15.853 -5.593 -5.706 1.00 0.00 C ATOM 640 CH2 TRP A 891 -17.204 -5.232 -5.590 1.00 0.00 C ATOM 0 H TRP A 891 -10.428 -2.657 -3.071 1.00 0.00 H new ATOM 0 HA TRP A 891 -12.964 -3.176 -1.611 1.00 0.00 H new ATOM 0 HB2 TRP A 891 -12.750 -1.315 -3.339 1.00 0.00 H new ATOM 0 HB3 TRP A 891 -12.427 -2.558 -4.531 1.00 0.00 H new ATOM 0 HD1 TRP A 891 -15.123 -0.725 -2.842 1.00 0.00 H new ATOM 0 HE1 TRP A 891 -17.435 -1.399 -3.740 1.00 0.00 H new ATOM 0 HE3 TRP A 891 -13.808 -5.038 -5.294 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 -18.606 -3.703 -4.976 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 -15.584 -6.519 -6.193 1.00 0.00 H new ATOM 0 HH2 TRP A 891 -17.970 -5.905 -5.947 1.00 0.00 H new ATOM 651 N ILE A 892 -13.269 -5.535 -2.422 1.00 0.00 N ATOM 652 CA ILE A 892 -13.345 -6.982 -2.705 1.00 0.00 C ATOM 653 C ILE A 892 -14.788 -7.479 -2.875 1.00 0.00 C ATOM 654 O ILE A 892 -15.728 -6.854 -2.371 1.00 0.00 O ATOM 655 CB ILE A 892 -12.622 -7.796 -1.605 1.00 0.00 C ATOM 656 CG1 ILE A 892 -13.346 -7.683 -0.246 1.00 0.00 C ATOM 657 CG2 ILE A 892 -11.141 -7.400 -1.472 1.00 0.00 C ATOM 658 CD1 ILE A 892 -12.953 -8.779 0.741 1.00 0.00 C ATOM 0 H ILE A 892 -14.016 -5.204 -1.811 1.00 0.00 H new ATOM 0 HA ILE A 892 -12.839 -7.139 -3.657 1.00 0.00 H new ATOM 0 HB ILE A 892 -12.654 -8.840 -1.917 1.00 0.00 H new ATOM 0 HG12 ILE A 892 -13.126 -6.711 0.195 1.00 0.00 H new ATOM 0 HG13 ILE A 892 -14.423 -7.722 -0.412 1.00 0.00 H new ATOM 0 HG21 ILE A 892 -10.674 -7.997 -0.689 1.00 0.00 H new ATOM 0 HG22 ILE A 892 -10.630 -7.579 -2.418 1.00 0.00 H new ATOM 0 HG23 ILE A 892 -11.069 -6.343 -1.215 1.00 0.00 H new ATOM 0 HD11 ILE A 892 -13.498 -8.640 1.675 1.00 0.00 H new ATOM 0 HD12 ILE A 892 -13.198 -9.754 0.319 1.00 0.00 H new ATOM 0 HD13 ILE A 892 -11.882 -8.727 0.935 1.00 0.00 H new ATOM 670 N CYS A 893 -14.955 -8.660 -3.479 1.00 0.00 N ATOM 671 CA CYS A 893 -16.225 -9.373 -3.566 1.00 0.00 C ATOM 672 C CYS A 893 -16.987 -9.435 -2.219 1.00 0.00 C ATOM 673 O CYS A 893 -18.179 -9.143 -2.194 1.00 0.00 O ATOM 674 CB CYS A 893 -15.987 -10.784 -4.123 1.00 0.00 C ATOM 675 SG CYS A 893 -15.316 -10.801 -5.813 1.00 0.00 S ATOM 0 H CYS A 893 -14.187 -9.156 -3.932 1.00 0.00 H new ATOM 0 HA CYS A 893 -16.864 -8.809 -4.245 1.00 0.00 H new ATOM 0 HB2 CYS A 893 -15.300 -11.314 -3.464 1.00 0.00 H new ATOM 0 HB3 CYS A 893 -16.928 -11.333 -4.110 1.00 0.00 H new ATOM 0 HG CYS A 893 -14.072 -10.423 -5.790 1.00 0.00 H new ATOM 680 N MET A 894 -16.340 -9.798 -1.100 1.00 0.00 N ATOM 681 CA MET A 894 -17.059 -10.003 0.173 1.00 0.00 C ATOM 682 C MET A 894 -17.685 -8.704 0.732 1.00 0.00 C ATOM 683 O MET A 894 -18.610 -8.756 1.544 1.00 0.00 O ATOM 684 CB MET A 894 -16.142 -10.640 1.229 1.00 0.00 C ATOM 685 CG MET A 894 -15.475 -11.935 0.753 1.00 0.00 C ATOM 686 SD MET A 894 -14.436 -12.729 2.011 1.00 0.00 S ATOM 687 CE MET A 894 -13.798 -14.114 1.028 1.00 0.00 C ATOM 0 H MET A 894 -15.333 -9.955 -1.047 1.00 0.00 H new ATOM 0 HA MET A 894 -17.879 -10.685 -0.052 1.00 0.00 H new ATOM 0 HB2 MET A 894 -15.370 -9.924 1.509 1.00 0.00 H new ATOM 0 HB3 MET A 894 -16.724 -10.848 2.127 1.00 0.00 H new ATOM 0 HG2 MET A 894 -16.248 -12.636 0.438 1.00 0.00 H new ATOM 0 HG3 MET A 894 -14.865 -11.718 -0.124 1.00 0.00 H new ATOM 0 HE1 MET A 894 -13.133 -14.720 1.643 1.00 0.00 H new ATOM 0 HE2 MET A 894 -14.630 -14.727 0.680 1.00 0.00 H new ATOM 0 HE3 MET A 894 -13.248 -13.728 0.170 1.00 0.00 H new ATOM 697 N ASN A 895 -17.200 -7.539 0.281 1.00 0.00 N ATOM 698 CA ASN A 895 -17.725 -6.206 0.600 1.00 0.00 C ATOM 699 C ASN A 895 -18.850 -5.744 -0.357 1.00 0.00 C ATOM 700 O ASN A 895 -19.547 -4.772 -0.060 1.00 0.00 O ATOM 701 CB ASN A 895 -16.523 -5.228 0.666 1.00 0.00 C ATOM 702 CG ASN A 895 -16.598 -4.029 -0.269 1.00 0.00 C ATOM 703 OD1 ASN A 895 -16.762 -2.890 0.145 1.00 0.00 O ATOM 704 ND2 ASN A 895 -16.475 -4.244 -1.558 1.00 0.00 N ATOM 0 H ASN A 895 -16.395 -7.499 -0.344 1.00 0.00 H new ATOM 0 HA ASN A 895 -18.221 -6.232 1.570 1.00 0.00 H new ATOM 0 HB2 ASN A 895 -16.430 -4.863 1.689 1.00 0.00 H new ATOM 0 HB3 ASN A 895 -15.613 -5.784 0.442 1.00 0.00 H new ATOM 0 HD21 ASN A 895 -16.516 -3.462 -2.212 1.00 0.00 H new ATOM 0 HD22 ASN A 895 -16.338 -5.193 -1.906 1.00 0.00 H new ATOM 711 N ASN A 896 -19.011 -6.411 -1.508 1.00 0.00 N ATOM 712 CA ASN A 896 -19.913 -6.012 -2.592 1.00 0.00 C ATOM 713 C ASN A 896 -21.366 -5.838 -2.121 1.00 0.00 C ATOM 714 O ASN A 896 -21.905 -6.657 -1.371 1.00 0.00 O ATOM 715 CB ASN A 896 -19.835 -7.050 -3.729 1.00 0.00 C ATOM 716 CG ASN A 896 -20.685 -6.716 -4.944 1.00 0.00 C ATOM 717 OD1 ASN A 896 -20.837 -5.572 -5.340 1.00 0.00 O ATOM 718 ND2 ASN A 896 -21.295 -7.699 -5.566 1.00 0.00 N ATOM 0 H ASN A 896 -18.500 -7.269 -1.715 1.00 0.00 H new ATOM 0 HA ASN A 896 -19.586 -5.037 -2.953 1.00 0.00 H new ATOM 0 HB2 ASN A 896 -18.796 -7.149 -4.044 1.00 0.00 H new ATOM 0 HB3 ASN A 896 -20.144 -8.020 -3.340 1.00 0.00 H new ATOM 0 HD21 ASN A 896 -21.889 -7.502 -6.372 1.00 0.00 H new ATOM 0 HD22 ASN A 896 -21.175 -8.659 -5.243 1.00 0.00 H new ATOM 725 N SER A 897 -22.017 -4.796 -2.631 1.00 0.00 N ATOM 726 CA SER A 897 -23.444 -4.518 -2.424 1.00 0.00 C ATOM 727 C SER A 897 -24.351 -5.691 -2.812 1.00 0.00 C ATOM 728 O SER A 897 -25.221 -6.100 -2.042 1.00 0.00 O ATOM 729 CB SER A 897 -23.838 -3.307 -3.276 1.00 0.00 C ATOM 730 OG SER A 897 -23.211 -2.132 -2.783 1.00 0.00 O ATOM 0 H SER A 897 -21.557 -4.099 -3.217 1.00 0.00 H new ATOM 0 HA SER A 897 -23.582 -4.334 -1.359 1.00 0.00 H new ATOM 0 HB2 SER A 897 -23.548 -3.474 -4.313 1.00 0.00 H new ATOM 0 HB3 SER A 897 -24.921 -3.182 -3.264 1.00 0.00 H new ATOM 0 HG SER A 897 -23.470 -1.366 -3.337 1.00 0.00 H new ATOM 736 N ASP A 898 -24.128 -6.250 -3.999 1.00 0.00 N ATOM 737 CA ASP A 898 -24.996 -7.258 -4.618 1.00 0.00 C ATOM 738 C ASP A 898 -24.623 -8.681 -4.192 1.00 0.00 C ATOM 739 O ASP A 898 -23.671 -9.287 -4.688 1.00 0.00 O ATOM 740 CB ASP A 898 -24.996 -7.112 -6.148 1.00 0.00 C ATOM 741 CG ASP A 898 -25.180 -5.661 -6.632 1.00 0.00 C ATOM 742 OD1 ASP A 898 -26.171 -5.003 -6.237 1.00 0.00 O ATOM 743 OD2 ASP A 898 -24.333 -5.191 -7.428 1.00 0.00 O1- ATOM 0 H ASP A 898 -23.320 -6.011 -4.574 1.00 0.00 H new ATOM 0 HA ASP A 898 -26.010 -7.079 -4.259 1.00 0.00 H new ATOM 0 HB2 ASP A 898 -24.056 -7.500 -6.541 1.00 0.00 H new ATOM 0 HB3 ASP A 898 -25.794 -7.728 -6.563 1.00 0.00 H new ATOM 748 N LYS A 899 -25.430 -9.246 -3.294 1.00 0.00 N ATOM 749 CA LYS A 899 -25.263 -10.577 -2.674 1.00 0.00 C ATOM 750 C LYS A 899 -25.248 -11.739 -3.681 1.00 0.00 C ATOM 751 O LYS A 899 -24.707 -12.803 -3.381 1.00 0.00 O ATOM 752 CB LYS A 899 -26.348 -10.756 -1.616 1.00 0.00 C ATOM 753 CG LYS A 899 -26.366 -9.773 -0.441 1.00 0.00 C ATOM 754 CD LYS A 899 -25.114 -9.880 0.427 1.00 0.00 C ATOM 755 CE LYS A 899 -24.040 -9.028 -0.223 1.00 0.00 C ATOM 756 NZ LYS A 899 -23.981 -7.638 0.299 1.00 0.00 N1+ ATOM 0 H LYS A 899 -26.265 -8.768 -2.956 1.00 0.00 H new ATOM 0 HA LYS A 899 -24.276 -10.611 -2.212 1.00 0.00 H new ATOM 0 HB2 LYS A 899 -27.315 -10.700 -2.115 1.00 0.00 H new ATOM 0 HB3 LYS A 899 -26.257 -11.763 -1.209 1.00 0.00 H new ATOM 0 HG2 LYS A 899 -26.454 -8.756 -0.823 1.00 0.00 H new ATOM 0 HG3 LYS A 899 -27.247 -9.960 0.173 1.00 0.00 H new ATOM 0 HD2 LYS A 899 -25.318 -9.534 1.440 1.00 0.00 H new ATOM 0 HD3 LYS A 899 -24.787 -10.917 0.504 1.00 0.00 H new ATOM 0 HE2 LYS A 899 -23.071 -9.504 -0.073 1.00 0.00 H new ATOM 0 HE3 LYS A 899 -24.216 -8.995 -1.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 899 -23.249 -7.106 -0.213 1.00 0.00 H new ATOM 0 HZ2 LYS A 899 -24.903 -7.177 0.163 1.00 0.00 H new ATOM 0 HZ3 LYS A 899 -23.749 -7.657 1.313 1.00 0.00 H new ATOM 770 N ARG A 900 -25.759 -11.510 -4.897 1.00 0.00 N ATOM 771 CA ARG A 900 -25.664 -12.427 -6.052 1.00 0.00 C ATOM 772 C ARG A 900 -24.235 -12.598 -6.587 1.00 0.00 C ATOM 773 O ARG A 900 -23.934 -13.632 -7.180 1.00 0.00 O ATOM 774 CB ARG A 900 -26.584 -11.913 -7.173 1.00 0.00 C ATOM 775 CG ARG A 900 -28.067 -12.176 -6.875 1.00 0.00 C ATOM 776 CD ARG A 900 -28.948 -11.693 -8.035 1.00 0.00 C ATOM 777 NE ARG A 900 -30.375 -11.988 -7.792 1.00 0.00 N ATOM 778 CZ ARG A 900 -31.260 -11.230 -7.164 1.00 0.00 C ATOM 779 NH1 ARG A 900 -30.953 -10.069 -6.657 1.00 0.00 N1+ ATOM 780 NH2 ARG A 900 -32.491 -11.633 -7.030 1.00 0.00 N ATOM 0 H ARG A 900 -26.268 -10.654 -5.117 1.00 0.00 H new ATOM 0 HA ARG A 900 -25.978 -13.412 -5.707 1.00 0.00 H new ATOM 0 HB2 ARG A 900 -26.427 -10.843 -7.307 1.00 0.00 H new ATOM 0 HB3 ARG A 900 -26.313 -12.395 -8.112 1.00 0.00 H new ATOM 0 HG2 ARG A 900 -28.226 -13.242 -6.710 1.00 0.00 H new ATOM 0 HG3 ARG A 900 -28.355 -11.665 -5.956 1.00 0.00 H new ATOM 0 HD2 ARG A 900 -28.816 -10.620 -8.171 1.00 0.00 H new ATOM 0 HD3 ARG A 900 -28.629 -12.173 -8.960 1.00 0.00 H new ATOM 0 HE ARG A 900 -30.718 -12.879 -8.150 1.00 0.00 H new ATOM 0 HH11 ARG A 900 -30.000 -9.713 -6.737 1.00 0.00 H new ATOM 0 HH12 ARG A 900 -31.666 -9.516 -6.181 1.00 0.00 H new ATOM 0 HH21 ARG A 900 -32.776 -12.536 -7.410 1.00 0.00 H new ATOM 0 HH22 ARG A 900 -33.170 -11.046 -6.545 1.00 0.00 H new ATOM 794 N PHE A 901 -23.359 -11.611 -6.365 1.00 0.00 N ATOM 795 CA PHE A 901 -21.974 -11.589 -6.875 1.00 0.00 C ATOM 796 C PHE A 901 -20.890 -11.323 -5.819 1.00 0.00 C ATOM 797 O PHE A 901 -19.712 -11.186 -6.154 1.00 0.00 O ATOM 798 CB PHE A 901 -21.833 -10.635 -8.079 1.00 0.00 C ATOM 799 CG PHE A 901 -22.970 -10.626 -9.094 1.00 0.00 C ATOM 800 CD1 PHE A 901 -22.817 -11.234 -10.354 1.00 0.00 C ATOM 801 CD2 PHE A 901 -24.166 -9.936 -8.810 1.00 0.00 C ATOM 802 CE1 PHE A 901 -23.856 -11.199 -11.299 1.00 0.00 C ATOM 803 CE2 PHE A 901 -25.208 -9.898 -9.754 1.00 0.00 C ATOM 804 CZ PHE A 901 -25.057 -10.538 -10.995 1.00 0.00 C ATOM 0 H PHE A 901 -23.594 -10.785 -5.814 1.00 0.00 H new ATOM 0 HA PHE A 901 -21.788 -12.610 -7.207 1.00 0.00 H new ATOM 0 HB2 PHE A 901 -21.714 -9.622 -7.696 1.00 0.00 H new ATOM 0 HB3 PHE A 901 -20.912 -10.887 -8.605 1.00 0.00 H new ATOM 0 HD1 PHE A 901 -21.891 -11.733 -10.597 1.00 0.00 H new ATOM 0 HD2 PHE A 901 -24.283 -9.433 -7.861 1.00 0.00 H new ATOM 0 HE1 PHE A 901 -23.731 -11.680 -12.258 1.00 0.00 H new ATOM 0 HE2 PHE A 901 -26.125 -9.376 -9.524 1.00 0.00 H new ATOM 0 HZ PHE A 901 -25.863 -10.522 -11.714 1.00 0.00 H new ATOM 814 N ALA A 902 -21.284 -11.256 -4.550 1.00 0.00 N ATOM 815 CA ALA A 902 -20.482 -10.864 -3.391 1.00 0.00 C ATOM 816 C ALA A 902 -19.573 -11.980 -2.822 1.00 0.00 C ATOM 817 O ALA A 902 -19.363 -12.081 -1.612 1.00 0.00 O ATOM 818 CB ALA A 902 -21.420 -10.237 -2.345 1.00 0.00 C ATOM 0 H ALA A 902 -22.240 -11.491 -4.284 1.00 0.00 H new ATOM 0 HA ALA A 902 -19.753 -10.122 -3.717 1.00 0.00 H new ATOM 0 HB1 ALA A 902 -20.842 -9.937 -1.471 1.00 0.00 H new ATOM 0 HB2 ALA A 902 -21.910 -9.363 -2.773 1.00 0.00 H new ATOM 0 HB3 ALA A 902 -22.174 -10.966 -2.048 1.00 0.00 H new ATOM 824 N ASP A 903 -19.021 -12.819 -3.698 1.00 0.00 N ATOM 825 CA ASP A 903 -17.948 -13.776 -3.394 1.00 0.00 C ATOM 826 C ASP A 903 -17.038 -14.004 -4.602 1.00 0.00 C ATOM 827 O ASP A 903 -17.490 -14.005 -5.747 1.00 0.00 O ATOM 828 CB ASP A 903 -18.514 -15.099 -2.841 1.00 0.00 C ATOM 829 CG ASP A 903 -18.578 -15.170 -1.302 1.00 0.00 C ATOM 830 OD1 ASP A 903 -17.554 -14.888 -0.636 1.00 0.00 O ATOM 831 OD2 ASP A 903 -19.624 -15.604 -0.759 1.00 0.00 O1- ATOM 0 H ASP A 903 -19.316 -12.855 -4.674 1.00 0.00 H new ATOM 0 HA ASP A 903 -17.330 -13.338 -2.610 1.00 0.00 H new ATOM 0 HB2 ASP A 903 -19.517 -15.247 -3.241 1.00 0.00 H new ATOM 0 HB3 ASP A 903 -17.901 -15.923 -3.206 1.00 0.00 H new ATOM 836 N CYS A 904 -15.759 -14.274 -4.333 1.00 0.00 N ATOM 837 CA CYS A 904 -14.742 -14.621 -5.321 1.00 0.00 C ATOM 838 C CYS A 904 -15.115 -15.883 -6.155 1.00 0.00 C ATOM 839 O CYS A 904 -14.520 -16.143 -7.203 1.00 0.00 O ATOM 840 CB CYS A 904 -13.416 -14.773 -4.546 1.00 0.00 C ATOM 841 SG CYS A 904 -12.948 -13.225 -3.684 1.00 0.00 S ATOM 0 H CYS A 904 -15.391 -14.255 -3.382 1.00 0.00 H new ATOM 0 HA CYS A 904 -14.652 -13.837 -6.073 1.00 0.00 H new ATOM 0 HB2 CYS A 904 -13.511 -15.579 -3.819 1.00 0.00 H new ATOM 0 HB3 CYS A 904 -12.622 -15.058 -5.237 1.00 0.00 H new ATOM 0 HG CYS A 904 -11.829 -13.405 -3.046 1.00 0.00 H new ATOM 846 N SER A 905 -16.094 -16.664 -5.673 1.00 0.00 N ATOM 847 CA SER A 905 -16.630 -17.860 -6.339 1.00 0.00 C ATOM 848 C SER A 905 -17.839 -17.563 -7.239 1.00 0.00 C ATOM 849 O SER A 905 -18.232 -18.418 -8.036 1.00 0.00 O ATOM 850 CB SER A 905 -17.030 -18.912 -5.300 1.00 0.00 C ATOM 851 OG SER A 905 -15.911 -19.321 -4.527 1.00 0.00 O ATOM 0 H SER A 905 -16.549 -16.474 -4.780 1.00 0.00 H new ATOM 0 HA SER A 905 -15.830 -18.235 -6.977 1.00 0.00 H new ATOM 0 HB2 SER A 905 -17.799 -18.505 -4.644 1.00 0.00 H new ATOM 0 HB3 SER A 905 -17.464 -19.777 -5.802 1.00 0.00 H new ATOM 0 HG SER A 905 -16.194 -19.991 -3.871 1.00 0.00 H new ATOM 857 N LYS A 906 -18.462 -16.381 -7.106 1.00 0.00 N ATOM 858 CA LYS A 906 -19.621 -15.966 -7.919 1.00 0.00 C ATOM 859 C LYS A 906 -19.249 -15.504 -9.339 1.00 0.00 C ATOM 860 O LYS A 906 -18.081 -15.479 -9.726 1.00 0.00 O ATOM 861 CB LYS A 906 -20.377 -14.859 -7.176 1.00 0.00 C ATOM 862 CG LYS A 906 -21.079 -15.255 -5.871 1.00 0.00 C ATOM 863 CD LYS A 906 -22.202 -16.299 -6.010 1.00 0.00 C ATOM 864 CE LYS A 906 -21.694 -17.738 -5.830 1.00 0.00 C ATOM 865 NZ LYS A 906 -22.801 -18.725 -5.941 1.00 0.00 N1+ ATOM 0 H LYS A 906 -18.174 -15.678 -6.425 1.00 0.00 H new ATOM 0 HA LYS A 906 -20.253 -16.844 -8.053 1.00 0.00 H new ATOM 0 HB2 LYS A 906 -19.673 -14.058 -6.953 1.00 0.00 H new ATOM 0 HB3 LYS A 906 -21.125 -14.446 -7.852 1.00 0.00 H new ATOM 0 HG2 LYS A 906 -20.330 -15.643 -5.180 1.00 0.00 H new ATOM 0 HG3 LYS A 906 -21.497 -14.356 -5.417 1.00 0.00 H new ATOM 0 HD2 LYS A 906 -22.976 -16.095 -5.270 1.00 0.00 H new ATOM 0 HD3 LYS A 906 -22.665 -16.201 -6.992 1.00 0.00 H new ATOM 0 HE2 LYS A 906 -20.936 -17.954 -6.583 1.00 0.00 H new ATOM 0 HE3 LYS A 906 -21.214 -17.836 -4.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 906 -22.423 -19.686 -5.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 906 -23.512 -18.533 -5.207 1.00 0.00 H new ATOM 0 HZ3 LYS A 906 -23.243 -18.647 -6.879 1.00 0.00 H new ATOM 879 N SER A 907 -20.276 -15.131 -10.106 1.00 0.00 N ATOM 880 CA SER A 907 -20.195 -14.665 -11.496 1.00 0.00 C ATOM 881 C SER A 907 -19.960 -13.140 -11.611 1.00 0.00 C ATOM 882 O SER A 907 -19.532 -12.485 -10.654 1.00 0.00 O ATOM 883 CB SER A 907 -21.459 -15.154 -12.227 1.00 0.00 C ATOM 884 OG SER A 907 -21.333 -15.029 -13.635 1.00 0.00 O ATOM 0 H SER A 907 -21.235 -15.146 -9.759 1.00 0.00 H new ATOM 0 HA SER A 907 -19.316 -15.091 -11.979 1.00 0.00 H new ATOM 0 HB2 SER A 907 -21.648 -16.196 -11.970 1.00 0.00 H new ATOM 0 HB3 SER A 907 -22.321 -14.580 -11.887 1.00 0.00 H new ATOM 0 HG SER A 907 -22.152 -15.350 -14.067 1.00 0.00 H new ATOM 890 N GLN A 908 -20.242 -12.564 -12.783 1.00 0.00 N ATOM 891 CA GLN A 908 -20.008 -11.170 -13.190 1.00 0.00 C ATOM 892 C GLN A 908 -21.079 -10.717 -14.214 1.00 0.00 C ATOM 893 O GLN A 908 -21.663 -11.565 -14.891 1.00 0.00 O ATOM 894 CB GLN A 908 -18.582 -11.122 -13.767 1.00 0.00 C ATOM 895 CG GLN A 908 -18.029 -9.718 -14.028 1.00 0.00 C ATOM 896 CD GLN A 908 -16.507 -9.755 -14.183 1.00 0.00 C ATOM 897 OE1 GLN A 908 -15.762 -10.058 -13.261 1.00 0.00 O ATOM 898 NE2 GLN A 908 -15.981 -9.453 -15.347 1.00 0.00 N ATOM 0 H GLN A 908 -20.675 -13.101 -13.534 1.00 0.00 H new ATOM 0 HA GLN A 908 -20.092 -10.480 -12.351 1.00 0.00 H new ATOM 0 HB2 GLN A 908 -17.912 -11.637 -13.079 1.00 0.00 H new ATOM 0 HB3 GLN A 908 -18.567 -11.680 -14.703 1.00 0.00 H new ATOM 0 HG2 GLN A 908 -18.481 -9.306 -14.930 1.00 0.00 H new ATOM 0 HG3 GLN A 908 -18.300 -9.057 -13.205 1.00 0.00 H new ATOM 0 HE21 GLN A 908 -16.585 -9.198 -16.129 1.00 0.00 H new ATOM 0 HE22 GLN A 908 -14.969 -9.474 -15.470 1.00 0.00 H new ATOM 907 N GLU A 909 -21.353 -9.410 -14.368 1.00 0.00 N ATOM 908 CA GLU A 909 -22.343 -8.935 -15.365 1.00 0.00 C ATOM 909 C GLU A 909 -21.908 -9.240 -16.811 1.00 0.00 C ATOM 910 O GLU A 909 -22.733 -9.617 -17.648 1.00 0.00 O ATOM 911 CB GLU A 909 -22.557 -7.413 -15.267 1.00 0.00 C ATOM 912 CG GLU A 909 -23.115 -6.865 -13.948 1.00 0.00 C ATOM 913 CD GLU A 909 -24.483 -7.441 -13.521 1.00 0.00 C ATOM 914 OE1 GLU A 909 -25.316 -7.808 -14.384 1.00 0.00 O ATOM 915 OE2 GLU A 909 -24.731 -7.497 -12.293 1.00 0.00 O1- ATOM 0 H GLU A 909 -20.912 -8.668 -13.825 1.00 0.00 H new ATOM 0 HA GLU A 909 -23.265 -9.469 -15.134 1.00 0.00 H new ATOM 0 HB2 GLU A 909 -21.601 -6.925 -15.458 1.00 0.00 H new ATOM 0 HB3 GLU A 909 -23.233 -7.115 -16.069 1.00 0.00 H new ATOM 0 HG2 GLU A 909 -22.392 -7.064 -13.156 1.00 0.00 H new ATOM 0 HG3 GLU A 909 -23.206 -5.782 -14.033 1.00 0.00 H new ATOM 922 N MET A 910 -20.609 -9.090 -17.098 1.00 0.00 N ATOM 923 CA MET A 910 -19.981 -9.378 -18.399 1.00 0.00 C ATOM 924 C MET A 910 -18.566 -9.915 -18.179 1.00 0.00 C ATOM 925 O MET A 910 -17.860 -9.372 -17.332 1.00 0.00 O ATOM 926 CB MET A 910 -19.871 -8.098 -19.249 1.00 0.00 C ATOM 927 CG MET A 910 -21.202 -7.417 -19.577 1.00 0.00 C ATOM 928 SD MET A 910 -21.001 -5.936 -20.604 1.00 0.00 S ATOM 929 CE MET A 910 -22.732 -5.406 -20.707 1.00 0.00 C ATOM 0 H MET A 910 -19.939 -8.752 -16.407 1.00 0.00 H new ATOM 0 HA MET A 910 -20.600 -10.111 -18.915 1.00 0.00 H new ATOM 0 HB2 MET A 910 -19.236 -7.385 -18.723 1.00 0.00 H new ATOM 0 HB3 MET A 910 -19.367 -8.344 -20.184 1.00 0.00 H new ATOM 0 HG2 MET A 910 -21.850 -8.126 -20.093 1.00 0.00 H new ATOM 0 HG3 MET A 910 -21.704 -7.144 -18.649 1.00 0.00 H new ATOM 0 HE1 MET A 910 -22.800 -4.499 -21.308 1.00 0.00 H new ATOM 0 HE2 MET A 910 -23.327 -6.193 -21.170 1.00 0.00 H new ATOM 0 HE3 MET A 910 -23.112 -5.206 -19.705 1.00 0.00 H new ATOM 939 N SER A 911 -18.101 -10.911 -18.938 1.00 0.00 N ATOM 940 CA SER A 911 -16.676 -11.296 -18.926 1.00 0.00 C ATOM 941 C SER A 911 -15.784 -10.145 -19.362 1.00 0.00 C ATOM 942 O SER A 911 -16.206 -9.258 -20.109 1.00 0.00 O ATOM 943 CB SER A 911 -16.382 -12.539 -19.771 1.00 0.00 C ATOM 944 OG SER A 911 -17.224 -12.624 -20.913 1.00 0.00 O ATOM 0 H SER A 911 -18.682 -11.466 -19.567 1.00 0.00 H new ATOM 0 HA SER A 911 -16.448 -11.548 -17.890 1.00 0.00 H new ATOM 0 HB2 SER A 911 -15.340 -12.521 -20.091 1.00 0.00 H new ATOM 0 HB3 SER A 911 -16.512 -13.431 -19.159 1.00 0.00 H new ATOM 0 HG SER A 911 -17.002 -13.430 -21.424 1.00 0.00 H new ATOM 950 N ASN A 912 -14.544 -10.139 -18.866 1.00 0.00 N ATOM 951 CA ASN A 912 -13.711 -8.930 -18.945 1.00 0.00 C ATOM 952 C ASN A 912 -13.453 -8.485 -20.395 1.00 0.00 C ATOM 953 O ASN A 912 -13.458 -7.290 -20.671 1.00 0.00 O ATOM 954 CB ASN A 912 -12.402 -9.067 -18.150 1.00 0.00 C ATOM 955 CG ASN A 912 -11.671 -7.732 -18.160 1.00 0.00 C ATOM 956 OD1 ASN A 912 -10.738 -7.500 -18.914 1.00 0.00 O ATOM 957 ND2 ASN A 912 -12.153 -6.775 -17.402 1.00 0.00 N ATOM 0 H ASN A 912 -14.099 -10.938 -18.414 1.00 0.00 H new ATOM 0 HA ASN A 912 -14.288 -8.136 -18.471 1.00 0.00 H new ATOM 0 HB2 ASN A 912 -12.615 -9.372 -17.125 1.00 0.00 H new ATOM 0 HB3 ASN A 912 -11.775 -9.843 -18.589 1.00 0.00 H new ATOM 0 HD21 ASN A 912 -11.749 -5.839 -17.443 1.00 0.00 H new ATOM 0 HD22 ASN A 912 -12.932 -6.967 -16.772 1.00 0.00 H new ATOM 964 N GLU A 913 -13.323 -9.434 -21.324 1.00 0.00 N ATOM 965 CA GLU A 913 -13.155 -9.163 -22.760 1.00 0.00 C ATOM 966 C GLU A 913 -14.380 -8.472 -23.401 1.00 0.00 C ATOM 967 O GLU A 913 -14.235 -7.737 -24.376 1.00 0.00 O ATOM 968 CB GLU A 913 -12.822 -10.494 -23.457 1.00 0.00 C ATOM 969 CG GLU A 913 -12.513 -10.349 -24.957 1.00 0.00 C ATOM 970 CD GLU A 913 -11.875 -11.619 -25.566 1.00 0.00 C ATOM 971 OE1 GLU A 913 -10.966 -11.489 -26.423 1.00 0.00 O ATOM 972 OE2 GLU A 913 -12.281 -12.757 -25.222 1.00 0.00 O1- ATOM 0 H GLU A 913 -13.331 -10.429 -21.100 1.00 0.00 H new ATOM 0 HA GLU A 913 -12.339 -8.452 -22.888 1.00 0.00 H new ATOM 0 HB2 GLU A 913 -11.964 -10.948 -22.961 1.00 0.00 H new ATOM 0 HB3 GLU A 913 -13.661 -11.178 -23.333 1.00 0.00 H new ATOM 0 HG2 GLU A 913 -13.434 -10.119 -25.492 1.00 0.00 H new ATOM 0 HG3 GLU A 913 -11.840 -9.504 -25.104 1.00 0.00 H new ATOM 979 N GLU A 914 -15.582 -8.664 -22.851 1.00 0.00 N ATOM 980 CA GLU A 914 -16.816 -8.011 -23.305 1.00 0.00 C ATOM 981 C GLU A 914 -17.023 -6.629 -22.664 1.00 0.00 C ATOM 982 O GLU A 914 -17.435 -5.701 -23.365 1.00 0.00 O ATOM 983 CB GLU A 914 -18.029 -8.915 -23.023 1.00 0.00 C ATOM 984 CG GLU A 914 -17.980 -10.285 -23.725 1.00 0.00 C ATOM 985 CD GLU A 914 -17.865 -10.204 -25.264 1.00 0.00 C ATOM 986 OE1 GLU A 914 -17.140 -11.036 -25.865 1.00 0.00 O ATOM 987 OE2 GLU A 914 -18.527 -9.346 -25.898 1.00 0.00 O1- ATOM 0 H GLU A 914 -15.729 -9.291 -22.060 1.00 0.00 H new ATOM 0 HA GLU A 914 -16.719 -7.854 -24.379 1.00 0.00 H new ATOM 0 HB2 GLU A 914 -18.105 -9.074 -21.947 1.00 0.00 H new ATOM 0 HB3 GLU A 914 -18.935 -8.394 -23.333 1.00 0.00 H new ATOM 0 HG2 GLU A 914 -17.132 -10.849 -23.338 1.00 0.00 H new ATOM 0 HG3 GLU A 914 -18.879 -10.845 -23.468 1.00 0.00 H new ATOM 994 N ILE A 915 -16.710 -6.449 -21.368 1.00 0.00 N ATOM 995 CA ILE A 915 -16.749 -5.116 -20.744 1.00 0.00 C ATOM 996 C ILE A 915 -15.600 -4.218 -21.235 1.00 0.00 C ATOM 997 O ILE A 915 -15.840 -3.124 -21.728 1.00 0.00 O ATOM 998 CB ILE A 915 -16.917 -5.148 -19.198 1.00 0.00 C ATOM 999 CG1 ILE A 915 -16.644 -3.767 -18.569 1.00 0.00 C ATOM 1000 CG2 ILE A 915 -16.076 -6.189 -18.436 1.00 0.00 C ATOM 1001 CD1 ILE A 915 -17.547 -2.668 -19.128 1.00 0.00 C ATOM 0 H ILE A 915 -16.430 -7.202 -20.739 1.00 0.00 H new ATOM 0 HA ILE A 915 -17.668 -4.643 -21.091 1.00 0.00 H new ATOM 0 HB ILE A 915 -17.958 -5.449 -19.084 1.00 0.00 H new ATOM 0 HG12 ILE A 915 -16.784 -3.831 -17.490 1.00 0.00 H new ATOM 0 HG13 ILE A 915 -15.602 -3.496 -18.740 1.00 0.00 H new ATOM 0 HG21 ILE A 915 -16.282 -6.112 -17.368 1.00 0.00 H new ATOM 0 HG22 ILE A 915 -16.333 -7.190 -18.784 1.00 0.00 H new ATOM 0 HG23 ILE A 915 -15.017 -6.004 -18.616 1.00 0.00 H new ATOM 0 HD11 ILE A 915 -17.307 -1.720 -18.647 1.00 0.00 H new ATOM 0 HD12 ILE A 915 -17.389 -2.579 -20.203 1.00 0.00 H new ATOM 0 HD13 ILE A 915 -18.590 -2.920 -18.934 1.00 0.00 H new ATOM 1013 N ASN A 916 -14.345 -4.646 -21.146 1.00 0.00 N ATOM 1014 CA ASN A 916 -13.189 -3.810 -21.513 1.00 0.00 C ATOM 1015 C ASN A 916 -13.244 -3.270 -22.967 1.00 0.00 C ATOM 1016 O ASN A 916 -12.750 -2.176 -23.244 1.00 0.00 O ATOM 1017 CB ASN A 916 -11.869 -4.524 -21.141 1.00 0.00 C ATOM 1018 CG ASN A 916 -11.347 -5.607 -22.084 1.00 0.00 C ATOM 1019 OD1 ASN A 916 -11.592 -5.648 -23.278 1.00 0.00 O ATOM 1020 ND2 ASN A 916 -10.538 -6.507 -21.577 1.00 0.00 N ATOM 0 H ASN A 916 -14.092 -5.579 -20.819 1.00 0.00 H new ATOM 0 HA ASN A 916 -13.234 -2.899 -20.916 1.00 0.00 H new ATOM 0 HB2 ASN A 916 -11.094 -3.764 -21.045 1.00 0.00 H new ATOM 0 HB3 ASN A 916 -11.999 -4.973 -20.156 1.00 0.00 H new ATOM 0 HD21 ASN A 916 -10.128 -7.221 -22.179 1.00 0.00 H new ATOM 0 HD22 ASN A 916 -10.319 -6.492 -20.581 1.00 0.00 H new ATOM 1027 N GLU A 917 -13.940 -3.974 -23.864 1.00 0.00 N ATOM 1028 CA GLU A 917 -14.309 -3.532 -25.219 1.00 0.00 C ATOM 1029 C GLU A 917 -15.267 -2.321 -25.267 1.00 0.00 C ATOM 1030 O GLU A 917 -15.179 -1.503 -26.184 1.00 0.00 O ATOM 1031 CB GLU A 917 -14.967 -4.715 -25.945 1.00 0.00 C ATOM 1032 CG GLU A 917 -13.981 -5.504 -26.819 1.00 0.00 C ATOM 1033 CD GLU A 917 -13.499 -4.706 -28.052 1.00 0.00 C ATOM 1034 OE1 GLU A 917 -14.336 -4.324 -28.907 1.00 0.00 O ATOM 1035 OE2 GLU A 917 -12.274 -4.474 -28.191 1.00 0.00 O1- ATOM 0 H GLU A 917 -14.280 -4.914 -23.659 1.00 0.00 H new ATOM 0 HA GLU A 917 -13.388 -3.201 -25.700 1.00 0.00 H new ATOM 0 HB2 GLU A 917 -15.409 -5.386 -25.209 1.00 0.00 H new ATOM 0 HB3 GLU A 917 -15.781 -4.345 -26.568 1.00 0.00 H new ATOM 0 HG2 GLU A 917 -13.118 -5.790 -26.217 1.00 0.00 H new ATOM 0 HG3 GLU A 917 -14.457 -6.426 -27.153 1.00 0.00 H new ATOM 1042 N GLU A 918 -16.171 -2.182 -24.293 1.00 0.00 N ATOM 1043 CA GLU A 918 -17.129 -1.068 -24.174 1.00 0.00 C ATOM 1044 C GLU A 918 -16.418 0.274 -23.934 1.00 0.00 C ATOM 1045 O GLU A 918 -16.814 1.303 -24.489 1.00 0.00 O ATOM 1046 CB GLU A 918 -18.123 -1.346 -23.021 1.00 0.00 C ATOM 1047 CG GLU A 918 -19.403 -0.490 -23.063 1.00 0.00 C ATOM 1048 CD GLU A 918 -20.255 -0.708 -24.334 1.00 0.00 C ATOM 1049 OE1 GLU A 918 -20.730 0.299 -24.911 1.00 0.00 O ATOM 1050 OE2 GLU A 918 -20.470 -1.868 -24.759 1.00 0.00 O1- ATOM 0 H GLU A 918 -16.263 -2.862 -23.538 1.00 0.00 H new ATOM 0 HA GLU A 918 -17.670 -0.996 -25.118 1.00 0.00 H new ATOM 0 HB2 GLU A 918 -18.404 -2.399 -23.046 1.00 0.00 H new ATOM 0 HB3 GLU A 918 -17.616 -1.174 -22.071 1.00 0.00 H new ATOM 0 HG2 GLU A 918 -20.010 -0.716 -22.186 1.00 0.00 H new ATOM 0 HG3 GLU A 918 -19.128 0.563 -22.997 1.00 0.00 H new ATOM 1057 N LEU A 919 -15.349 0.260 -23.129 1.00 0.00 N ATOM 1058 CA LEU A 919 -14.477 1.416 -22.901 1.00 0.00 C ATOM 1059 C LEU A 919 -13.399 1.556 -23.993 1.00 0.00 C ATOM 1060 O LEU A 919 -13.047 2.672 -24.381 1.00 0.00 O ATOM 1061 CB LEU A 919 -13.808 1.296 -21.525 1.00 0.00 C ATOM 1062 CG LEU A 919 -14.782 1.160 -20.334 1.00 0.00 C ATOM 1063 CD1 LEU A 919 -14.818 -0.278 -19.814 1.00 0.00 C ATOM 1064 CD2 LEU A 919 -14.342 2.102 -19.229 1.00 0.00 C ATOM 0 H LEU A 919 -15.062 -0.569 -22.609 1.00 0.00 H new ATOM 0 HA LEU A 919 -15.100 2.310 -22.938 1.00 0.00 H new ATOM 0 HB2 LEU A 919 -13.146 0.430 -21.534 1.00 0.00 H new ATOM 0 HB3 LEU A 919 -13.182 2.174 -21.364 1.00 0.00 H new ATOM 0 HG LEU A 919 -15.787 1.419 -20.667 1.00 0.00 H new ATOM 0 HD11 LEU A 919 -15.512 -0.345 -18.976 1.00 0.00 H new ATOM 0 HD12 LEU A 919 -15.147 -0.945 -20.611 1.00 0.00 H new ATOM 0 HD13 LEU A 919 -13.821 -0.571 -19.484 1.00 0.00 H new ATOM 0 HD21 LEU A 919 -15.023 2.014 -18.383 1.00 0.00 H new ATOM 0 HD22 LEU A 919 -13.332 1.843 -18.910 1.00 0.00 H new ATOM 0 HD23 LEU A 919 -14.354 3.127 -19.599 1.00 0.00 H new ATOM 1076 N GLY A 920 -12.881 0.425 -24.483 1.00 0.00 N ATOM 1077 CA GLY A 920 -11.825 0.341 -25.499 1.00 0.00 C ATOM 1078 C GLY A 920 -10.419 0.211 -24.897 1.00 0.00 C ATOM 1079 O GLY A 920 -9.495 0.915 -25.312 1.00 0.00 O ATOM 0 H GLY A 920 -13.198 -0.493 -24.171 1.00 0.00 H new ATOM 0 HA2 GLY A 920 -12.018 -0.516 -26.145 1.00 0.00 H new ATOM 0 HA3 GLY A 920 -11.863 1.230 -26.129 1.00 0.00 H new ATOM 1083 N ILE A 921 -10.274 -0.652 -23.885 1.00 0.00 N ATOM 1084 CA ILE A 921 -9.076 -0.808 -23.036 1.00 0.00 C ATOM 1085 C ILE A 921 -8.617 -2.280 -22.942 1.00 0.00 C ATOM 1086 O ILE A 921 -9.141 -3.160 -23.629 1.00 0.00 O ATOM 1087 CB ILE A 921 -9.327 -0.164 -21.646 1.00 0.00 C ATOM 1088 CG1 ILE A 921 -10.361 -0.967 -20.832 1.00 0.00 C ATOM 1089 CG2 ILE A 921 -9.701 1.322 -21.776 1.00 0.00 C ATOM 1090 CD1 ILE A 921 -10.628 -0.422 -19.430 1.00 0.00 C ATOM 0 H ILE A 921 -11.021 -1.293 -23.619 1.00 0.00 H new ATOM 0 HA ILE A 921 -8.247 -0.277 -23.504 1.00 0.00 H new ATOM 0 HB ILE A 921 -8.393 -0.202 -21.085 1.00 0.00 H new ATOM 0 HG12 ILE A 921 -11.301 -0.989 -21.384 1.00 0.00 H new ATOM 0 HG13 ILE A 921 -10.016 -1.998 -20.748 1.00 0.00 H new ATOM 0 HG21 ILE A 921 -9.870 1.743 -20.785 1.00 0.00 H new ATOM 0 HG22 ILE A 921 -8.889 1.860 -22.265 1.00 0.00 H new ATOM 0 HG23 ILE A 921 -10.609 1.418 -22.371 1.00 0.00 H new ATOM 0 HD11 ILE A 921 -11.367 -1.048 -18.931 1.00 0.00 H new ATOM 0 HD12 ILE A 921 -9.702 -0.426 -18.856 1.00 0.00 H new ATOM 0 HD13 ILE A 921 -11.006 0.598 -19.502 1.00 0.00 H new ATOM 1262 N GLN B 5 -13.904 3.566 -16.078 1.00 0.00 N ATOM 1263 CA GLN B 5 -15.158 4.325 -16.019 1.00 0.00 C ATOM 1264 C GLN B 5 -15.927 4.335 -17.352 1.00 0.00 C ATOM 1265 O GLN B 5 -15.611 5.101 -18.262 1.00 0.00 O ATOM 1266 CB GLN B 5 -14.877 5.747 -15.505 1.00 0.00 C ATOM 1267 CG GLN B 5 -13.658 6.487 -16.106 1.00 0.00 C ATOM 1268 CD GLN B 5 -12.309 6.198 -15.439 1.00 0.00 C ATOM 1269 OE1 GLN B 5 -12.176 5.481 -14.456 1.00 0.00 O ATOM 1270 NE2 GLN B 5 -11.231 6.739 -15.968 1.00 0.00 N ATOM 0 HA GLN B 5 -15.818 3.817 -15.316 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -15.764 6.354 -15.687 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -14.742 5.695 -14.425 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -13.583 6.227 -17.162 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -13.846 7.559 -16.054 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -11.312 7.341 -16.788 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -10.315 6.556 -15.558 1.00 0.00 H new ATOM 1279 N THR B 6 -16.949 3.476 -17.476 1.00 0.00 N ATOM 1280 CA THR B 6 -17.664 3.252 -18.748 1.00 0.00 C ATOM 1281 C THR B 6 -18.485 4.463 -19.200 1.00 0.00 C ATOM 1282 O THR B 6 -18.541 4.749 -20.396 1.00 0.00 O ATOM 1283 CB THR B 6 -18.559 2.010 -18.669 1.00 0.00 C ATOM 1284 OG1 THR B 6 -17.807 0.941 -18.165 1.00 0.00 O ATOM 1285 CG2 THR B 6 -19.079 1.543 -20.025 1.00 0.00 C ATOM 0 H THR B 6 -17.305 2.916 -16.701 1.00 0.00 H new ATOM 0 HA THR B 6 -16.891 3.091 -19.499 1.00 0.00 H new ATOM 0 HB THR B 6 -19.404 2.291 -18.040 1.00 0.00 H new ATOM 0 HG1 THR B 6 -17.934 0.881 -17.195 1.00 0.00 H new ATOM 0 HG21 THR B 6 -19.705 0.661 -19.891 1.00 0.00 H new ATOM 0 HG22 THR B 6 -19.667 2.338 -20.483 1.00 0.00 H new ATOM 0 HG23 THR B 6 -18.237 1.296 -20.672 1.00 0.00 H new