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 908 GLN : amide:sc= 2.6 K(o=3.3,f=-4.5!) USER MOD Set 1.2: A 912 ASN : amide:sc= 0.712 K(o=3.3,f=-5.9) USER MOD Set 2.1: A 868 CYS SG : rot -143:sc= 1.59 USER MOD Set 2.2: A 871 CYS SG : rot 180:sc= 0.959 USER MOD Set 2.3: A 893 CYS SG : rot 68:sc= -2.9! USER MOD Set 2.4: A 904 CYS SG : rot -22:sc= 0.0299 USER MOD Single : A 863 SER OG : rot 28:sc= 0.0194 USER MOD Single : A 873 LYS NZ :NH3+ -152:sc= 2.19 (180deg=0.849) 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= 1.87 K(o=1.9,f=-0.00027) USER MOD Single : A 896 ASN : amide:sc= 0.365 K(o=0.37,f=-3.5!) USER MOD Single : A 897 SER OG : rot 180:sc= 0 USER MOD Single : A 899 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 905 SER OG : rot 180:sc= 0 USER MOD Single : A 906 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 907 SER OG : rot 180:sc= 0.335 USER MOD Single : A 910 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 911 SER OG : rot 180:sc= 0.00198 USER MOD Single : A 916 ASN : amide:sc= -0.235 K(o=-0.23,f=-5.6!) USER MOD Single : B 5 GLN : amide:sc= -0.0285 K(o=-0.029,f=-0.88) USER MOD Single : B 6 THR OG1 : rot -89:sc= 0.679 USER MOD ----------------------------------------------------------------- ATOM 188 N SER A 863 -20.976 6.595 -13.467 1.00 0.00 N ATOM 189 CA SER A 863 -20.725 5.196 -13.091 1.00 0.00 C ATOM 190 C SER A 863 -19.306 4.735 -13.450 1.00 0.00 C ATOM 191 O SER A 863 -18.613 5.344 -14.268 1.00 0.00 O ATOM 192 CB SER A 863 -21.771 4.272 -13.729 1.00 0.00 C ATOM 193 OG SER A 863 -23.063 4.552 -13.212 1.00 0.00 O ATOM 0 HA SER A 863 -20.812 5.137 -12.006 1.00 0.00 H new ATOM 0 HB2 SER A 863 -21.769 4.404 -14.811 1.00 0.00 H new ATOM 0 HB3 SER A 863 -21.513 3.231 -13.534 1.00 0.00 H new ATOM 0 HG SER A 863 -23.110 5.492 -12.940 1.00 0.00 H new ATOM 199 N ALA A 864 -18.861 3.654 -12.808 1.00 0.00 N ATOM 200 CA ALA A 864 -17.568 3.013 -13.040 1.00 0.00 C ATOM 201 C ALA A 864 -17.614 1.505 -12.734 1.00 0.00 C ATOM 202 O ALA A 864 -18.623 0.992 -12.255 1.00 0.00 O ATOM 203 CB ALA A 864 -16.530 3.744 -12.176 1.00 0.00 C ATOM 0 H ALA A 864 -19.410 3.185 -12.088 1.00 0.00 H new ATOM 0 HA ALA A 864 -17.295 3.087 -14.093 1.00 0.00 H new ATOM 0 HB1 ALA A 864 -15.550 3.291 -12.324 1.00 0.00 H new ATOM 0 HB2 ALA A 864 -16.492 4.795 -12.464 1.00 0.00 H new ATOM 0 HB3 ALA A 864 -16.811 3.666 -11.126 1.00 0.00 H new ATOM 209 N TRP A 865 -16.528 0.779 -12.987 1.00 0.00 N ATOM 210 CA TRP A 865 -16.310 -0.552 -12.396 1.00 0.00 C ATOM 211 C TRP A 865 -15.411 -0.479 -11.153 1.00 0.00 C ATOM 212 O TRP A 865 -14.915 0.585 -10.776 1.00 0.00 O ATOM 213 CB TRP A 865 -15.814 -1.520 -13.476 1.00 0.00 C ATOM 214 CG TRP A 865 -16.849 -1.789 -14.526 1.00 0.00 C ATOM 215 CD1 TRP A 865 -17.252 -0.892 -15.450 1.00 0.00 C ATOM 216 CD2 TRP A 865 -17.709 -2.958 -14.717 1.00 0.00 C ATOM 217 NE1 TRP A 865 -18.320 -1.393 -16.158 1.00 0.00 N ATOM 218 CE2 TRP A 865 -18.630 -2.681 -15.772 1.00 0.00 C ATOM 219 CE3 TRP A 865 -17.793 -4.232 -14.117 1.00 0.00 C ATOM 220 CZ2 TRP A 865 -19.575 -3.622 -16.212 1.00 0.00 C ATOM 221 CZ3 TRP A 865 -18.723 -5.197 -14.563 1.00 0.00 C ATOM 222 CH2 TRP A 865 -19.617 -4.890 -15.605 1.00 0.00 C ATOM 0 H TRP A 865 -15.775 1.088 -13.602 1.00 0.00 H new ATOM 0 HA TRP A 865 -17.256 -0.950 -12.027 1.00 0.00 H new ATOM 0 HB2 TRP A 865 -14.922 -1.107 -13.947 1.00 0.00 H new ATOM 0 HB3 TRP A 865 -15.522 -2.461 -13.009 1.00 0.00 H new ATOM 0 HD1 TRP A 865 -16.802 0.077 -15.610 1.00 0.00 H new ATOM 0 HE1 TRP A 865 -18.821 -0.876 -16.880 1.00 0.00 H new ATOM 0 HE3 TRP A 865 -17.132 -4.475 -13.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 865 -20.262 -3.375 -17.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 865 -18.748 -6.174 -14.103 1.00 0.00 H new ATOM 0 HH2 TRP A 865 -20.334 -5.626 -15.938 1.00 0.00 H new ATOM 233 N VAL A 866 -15.213 -1.629 -10.506 1.00 0.00 N ATOM 234 CA VAL A 866 -14.169 -1.859 -9.494 1.00 0.00 C ATOM 235 C VAL A 866 -13.672 -3.310 -9.551 1.00 0.00 C ATOM 236 O VAL A 866 -14.464 -4.232 -9.764 1.00 0.00 O ATOM 237 CB VAL A 866 -14.646 -1.427 -8.093 1.00 0.00 C ATOM 238 CG1 VAL A 866 -15.880 -2.198 -7.618 1.00 0.00 C ATOM 239 CG2 VAL A 866 -13.547 -1.545 -7.035 1.00 0.00 C ATOM 0 H VAL A 866 -15.790 -2.453 -10.674 1.00 0.00 H new ATOM 0 HA VAL A 866 -13.309 -1.229 -9.722 1.00 0.00 H new ATOM 0 HB VAL A 866 -14.916 -0.377 -8.207 1.00 0.00 H new ATOM 0 HG11 VAL A 866 -16.167 -1.849 -6.626 1.00 0.00 H new ATOM 0 HG12 VAL A 866 -16.703 -2.032 -8.314 1.00 0.00 H new ATOM 0 HG13 VAL A 866 -15.650 -3.263 -7.576 1.00 0.00 H new ATOM 0 HG21 VAL A 866 -13.937 -1.228 -6.068 1.00 0.00 H new ATOM 0 HG22 VAL A 866 -13.214 -2.581 -6.970 1.00 0.00 H new ATOM 0 HG23 VAL A 866 -12.705 -0.910 -7.312 1.00 0.00 H new ATOM 249 N ARG A 867 -12.352 -3.503 -9.413 1.00 0.00 N ATOM 250 CA ARG A 867 -11.685 -4.816 -9.297 1.00 0.00 C ATOM 251 C ARG A 867 -11.635 -5.266 -7.833 1.00 0.00 C ATOM 252 O ARG A 867 -11.335 -4.455 -6.955 1.00 0.00 O ATOM 253 CB ARG A 867 -10.247 -4.709 -9.847 1.00 0.00 C ATOM 254 CG ARG A 867 -9.665 -5.996 -10.462 1.00 0.00 C ATOM 255 CD ARG A 867 -8.237 -5.741 -10.973 1.00 0.00 C ATOM 256 NE ARG A 867 -7.289 -6.840 -10.687 1.00 0.00 N ATOM 257 CZ ARG A 867 -6.706 -7.637 -11.559 1.00 0.00 C ATOM 258 NH1 ARG A 867 -7.121 -7.751 -12.784 1.00 0.00 N1+ ATOM 259 NH2 ARG A 867 -5.675 -8.353 -11.221 1.00 0.00 N ATOM 0 H ARG A 867 -11.693 -2.725 -9.377 1.00 0.00 H new ATOM 0 HA ARG A 867 -12.251 -5.549 -9.871 1.00 0.00 H new ATOM 0 HB2 ARG A 867 -10.226 -3.925 -10.604 1.00 0.00 H new ATOM 0 HB3 ARG A 867 -9.592 -4.388 -9.037 1.00 0.00 H new ATOM 0 HG2 ARG A 867 -9.656 -6.792 -9.717 1.00 0.00 H new ATOM 0 HG3 ARG A 867 -10.298 -6.334 -11.282 1.00 0.00 H new ATOM 0 HD2 ARG A 867 -8.272 -5.576 -12.050 1.00 0.00 H new ATOM 0 HD3 ARG A 867 -7.860 -4.823 -10.522 1.00 0.00 H new ATOM 0 HE ARG A 867 -7.061 -6.998 -9.705 1.00 0.00 H new ATOM 0 HH11 ARG A 867 -7.926 -7.212 -13.102 1.00 0.00 H new ATOM 0 HH12 ARG A 867 -6.642 -8.380 -13.428 1.00 0.00 H new ATOM 0 HH21 ARG A 867 -5.308 -8.302 -10.271 1.00 0.00 H new ATOM 0 HH22 ARG A 867 -5.233 -8.966 -11.906 1.00 0.00 H new ATOM 273 N CYS A 868 -11.830 -6.556 -7.574 1.00 0.00 N ATOM 274 CA CYS A 868 -11.518 -7.164 -6.288 1.00 0.00 C ATOM 275 C CYS A 868 -9.988 -7.261 -6.074 1.00 0.00 C ATOM 276 O CYS A 868 -9.288 -7.932 -6.840 1.00 0.00 O ATOM 277 CB CYS A 868 -12.225 -8.520 -6.244 1.00 0.00 C ATOM 278 SG CYS A 868 -11.840 -9.413 -4.701 1.00 0.00 S ATOM 0 H CYS A 868 -12.211 -7.211 -8.256 1.00 0.00 H new ATOM 0 HA CYS A 868 -11.878 -6.551 -5.462 1.00 0.00 H new ATOM 0 HB2 CYS A 868 -13.302 -8.374 -6.324 1.00 0.00 H new ATOM 0 HB3 CYS A 868 -11.920 -9.120 -7.101 1.00 0.00 H new ATOM 0 HG CYS A 868 -11.734 -10.684 -4.950 1.00 0.00 H new ATOM 283 N ASP A 869 -9.468 -6.618 -5.025 1.00 0.00 N ATOM 284 CA ASP A 869 -8.066 -6.794 -4.601 1.00 0.00 C ATOM 285 C ASP A 869 -7.744 -8.185 -4.006 1.00 0.00 C ATOM 286 O ASP A 869 -6.562 -8.516 -3.870 1.00 0.00 O ATOM 287 CB ASP A 869 -7.654 -5.690 -3.604 1.00 0.00 C ATOM 288 CG ASP A 869 -7.052 -4.424 -4.254 1.00 0.00 C ATOM 289 OD1 ASP A 869 -7.171 -4.211 -5.483 1.00 0.00 O ATOM 290 OD2 ASP A 869 -6.395 -3.647 -3.523 1.00 0.00 O1- ATOM 0 H ASP A 869 -9.997 -5.965 -4.447 1.00 0.00 H new ATOM 0 HA ASP A 869 -7.480 -6.714 -5.517 1.00 0.00 H new ATOM 0 HB2 ASP A 869 -8.528 -5.401 -3.021 1.00 0.00 H new ATOM 0 HB3 ASP A 869 -6.927 -6.104 -2.905 1.00 0.00 H new ATOM 295 N ASP A 870 -8.739 -9.010 -3.650 1.00 0.00 N ATOM 296 CA ASP A 870 -8.508 -10.352 -3.082 1.00 0.00 C ATOM 297 C ASP A 870 -8.447 -11.457 -4.159 1.00 0.00 C ATOM 298 O ASP A 870 -7.726 -12.445 -3.990 1.00 0.00 O ATOM 299 CB ASP A 870 -9.565 -10.677 -2.015 1.00 0.00 C ATOM 300 CG ASP A 870 -9.200 -11.878 -1.114 1.00 0.00 C ATOM 301 OD1 ASP A 870 -8.007 -12.068 -0.770 1.00 0.00 O ATOM 302 OD2 ASP A 870 -10.122 -12.610 -0.679 1.00 0.00 O1- ATOM 0 H ASP A 870 -9.726 -8.769 -3.746 1.00 0.00 H new ATOM 0 HA ASP A 870 -7.526 -10.331 -2.609 1.00 0.00 H new ATOM 0 HB2 ASP A 870 -9.716 -9.798 -1.388 1.00 0.00 H new ATOM 0 HB3 ASP A 870 -10.514 -10.882 -2.510 1.00 0.00 H new ATOM 307 N CYS A 871 -9.148 -11.264 -5.286 1.00 0.00 N ATOM 308 CA CYS A 871 -8.969 -12.022 -6.518 1.00 0.00 C ATOM 309 C CYS A 871 -8.627 -11.088 -7.715 1.00 0.00 C ATOM 310 O CYS A 871 -7.471 -10.690 -7.882 1.00 0.00 O ATOM 311 CB CYS A 871 -10.120 -13.056 -6.677 1.00 0.00 C ATOM 312 SG CYS A 871 -11.781 -12.432 -7.149 1.00 0.00 S ATOM 0 H CYS A 871 -9.875 -10.553 -5.360 1.00 0.00 H new ATOM 0 HA CYS A 871 -8.080 -12.652 -6.482 1.00 0.00 H new ATOM 0 HB2 CYS A 871 -9.812 -13.786 -7.426 1.00 0.00 H new ATOM 0 HB3 CYS A 871 -10.220 -13.592 -5.733 1.00 0.00 H new ATOM 0 HG CYS A 871 -12.610 -13.429 -7.237 1.00 0.00 H new ATOM 317 N PHE A 872 -9.634 -10.753 -8.523 1.00 0.00 N ATOM 318 CA PHE A 872 -9.594 -9.841 -9.684 1.00 0.00 C ATOM 319 C PHE A 872 -10.967 -9.543 -10.328 1.00 0.00 C ATOM 320 O PHE A 872 -11.052 -8.703 -11.224 1.00 0.00 O ATOM 321 CB PHE A 872 -8.680 -10.402 -10.781 1.00 0.00 C ATOM 322 CG PHE A 872 -9.072 -11.758 -11.343 1.00 0.00 C ATOM 323 CD1 PHE A 872 -9.980 -11.845 -12.418 1.00 0.00 C ATOM 324 CD2 PHE A 872 -8.524 -12.937 -10.800 1.00 0.00 C ATOM 325 CE1 PHE A 872 -10.345 -13.100 -12.936 1.00 0.00 C ATOM 326 CE2 PHE A 872 -8.888 -14.192 -11.319 1.00 0.00 C ATOM 327 CZ PHE A 872 -9.799 -14.274 -12.387 1.00 0.00 C ATOM 0 H PHE A 872 -10.569 -11.135 -8.379 1.00 0.00 H new ATOM 0 HA PHE A 872 -9.215 -8.905 -9.274 1.00 0.00 H new ATOM 0 HB2 PHE A 872 -8.648 -9.686 -11.602 1.00 0.00 H new ATOM 0 HB3 PHE A 872 -7.668 -10.475 -10.382 1.00 0.00 H new ATOM 0 HD1 PHE A 872 -10.397 -10.945 -12.845 1.00 0.00 H new ATOM 0 HD2 PHE A 872 -7.822 -12.876 -9.982 1.00 0.00 H new ATOM 0 HE1 PHE A 872 -11.045 -13.163 -13.756 1.00 0.00 H new ATOM 0 HE2 PHE A 872 -8.468 -15.093 -10.897 1.00 0.00 H new ATOM 0 HZ PHE A 872 -10.079 -15.238 -12.785 1.00 0.00 H new ATOM 337 N LYS A 873 -12.030 -10.245 -9.921 1.00 0.00 N ATOM 338 CA LYS A 873 -13.423 -10.095 -10.388 1.00 0.00 C ATOM 339 C LYS A 873 -13.881 -8.636 -10.470 1.00 0.00 C ATOM 340 O LYS A 873 -13.502 -7.812 -9.635 1.00 0.00 O ATOM 341 CB LYS A 873 -14.330 -10.868 -9.426 1.00 0.00 C ATOM 342 CG LYS A 873 -15.680 -11.307 -9.999 1.00 0.00 C ATOM 343 CD LYS A 873 -16.826 -10.354 -9.646 1.00 0.00 C ATOM 344 CE LYS A 873 -17.314 -10.615 -8.228 1.00 0.00 C ATOM 345 NZ LYS A 873 -18.046 -11.897 -8.106 1.00 0.00 N1+ ATOM 0 H LYS A 873 -11.942 -10.977 -9.216 1.00 0.00 H new ATOM 0 HA LYS A 873 -13.482 -10.490 -11.402 1.00 0.00 H new ATOM 0 HB2 LYS A 873 -13.795 -11.754 -9.084 1.00 0.00 H new ATOM 0 HB3 LYS A 873 -14.512 -10.247 -8.549 1.00 0.00 H new ATOM 0 HG2 LYS A 873 -15.600 -11.382 -11.083 1.00 0.00 H new ATOM 0 HG3 LYS A 873 -15.918 -12.304 -9.628 1.00 0.00 H new ATOM 0 HD2 LYS A 873 -16.490 -9.321 -9.738 1.00 0.00 H new ATOM 0 HD3 LYS A 873 -17.647 -10.486 -10.350 1.00 0.00 H new ATOM 0 HE2 LYS A 873 -16.461 -10.622 -7.549 1.00 0.00 H new ATOM 0 HE3 LYS A 873 -17.964 -9.798 -7.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 873 -18.735 -11.831 -7.330 1.00 0.00 H new ATOM 0 HZ2 LYS A 873 -18.545 -12.098 -8.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 873 -17.372 -12.664 -7.906 1.00 0.00 H new ATOM 359 N TRP A 874 -14.741 -8.342 -11.443 1.00 0.00 N ATOM 360 CA TRP A 874 -15.219 -6.988 -11.733 1.00 0.00 C ATOM 361 C TRP A 874 -16.683 -6.761 -11.343 1.00 0.00 C ATOM 362 O TRP A 874 -17.510 -7.668 -11.457 1.00 0.00 O ATOM 363 CB TRP A 874 -14.994 -6.684 -13.220 1.00 0.00 C ATOM 364 CG TRP A 874 -13.578 -6.822 -13.671 1.00 0.00 C ATOM 365 CD1 TRP A 874 -13.007 -7.903 -14.245 1.00 0.00 C ATOM 366 CD2 TRP A 874 -12.509 -5.859 -13.501 1.00 0.00 C ATOM 367 NE1 TRP A 874 -11.672 -7.644 -14.504 1.00 0.00 N ATOM 368 CE2 TRP A 874 -11.315 -6.393 -14.066 1.00 0.00 C ATOM 369 CE3 TRP A 874 -12.445 -4.575 -12.933 1.00 0.00 C ATOM 370 CZ2 TRP A 874 -10.112 -5.678 -14.098 1.00 0.00 C ATOM 371 CZ3 TRP A 874 -11.231 -3.877 -12.919 1.00 0.00 C ATOM 372 CH2 TRP A 874 -10.072 -4.403 -13.509 1.00 0.00 C ATOM 0 H TRP A 874 -15.133 -9.049 -12.064 1.00 0.00 H new ATOM 0 HA TRP A 874 -14.643 -6.298 -11.116 1.00 0.00 H new ATOM 0 HB2 TRP A 874 -15.618 -7.352 -13.813 1.00 0.00 H new ATOM 0 HB3 TRP A 874 -15.330 -5.668 -13.425 1.00 0.00 H new ATOM 0 HD1 TRP A 874 -13.515 -8.829 -14.468 1.00 0.00 H new ATOM 0 HE1 TRP A 874 -11.036 -8.298 -14.961 1.00 0.00 H new ATOM 0 HE3 TRP A 874 -13.331 -4.127 -12.508 1.00 0.00 H new ATOM 0 HZ2 TRP A 874 -9.233 -6.097 -14.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 874 -11.186 -2.909 -12.442 1.00 0.00 H new ATOM 0 HH2 TRP A 874 -9.155 -3.832 -13.510 1.00 0.00 H new ATOM 383 N ARG A 875 -17.029 -5.533 -10.938 1.00 0.00 N ATOM 384 CA ARG A 875 -18.394 -5.120 -10.558 1.00 0.00 C ATOM 385 C ARG A 875 -18.687 -3.678 -10.960 1.00 0.00 C ATOM 386 O ARG A 875 -17.826 -2.820 -10.791 1.00 0.00 O ATOM 387 CB ARG A 875 -18.598 -5.280 -9.038 1.00 0.00 C ATOM 388 CG ARG A 875 -18.782 -6.731 -8.565 1.00 0.00 C ATOM 389 CD ARG A 875 -19.942 -7.485 -9.233 1.00 0.00 C ATOM 390 NE ARG A 875 -21.191 -6.688 -9.291 1.00 0.00 N ATOM 391 CZ ARG A 875 -21.878 -6.372 -10.376 1.00 0.00 C ATOM 392 NH1 ARG A 875 -21.538 -6.758 -11.569 1.00 0.00 N1+ ATOM 393 NH2 ARG A 875 -22.922 -5.614 -10.323 1.00 0.00 N ATOM 0 H ARG A 875 -16.351 -4.775 -10.862 1.00 0.00 H new ATOM 0 HA ARG A 875 -19.087 -5.768 -11.094 1.00 0.00 H new ATOM 0 HB2 ARG A 875 -17.739 -4.850 -8.522 1.00 0.00 H new ATOM 0 HB3 ARG A 875 -19.472 -4.701 -8.739 1.00 0.00 H new ATOM 0 HG2 ARG A 875 -17.858 -7.278 -8.749 1.00 0.00 H new ATOM 0 HG3 ARG A 875 -18.942 -6.729 -7.487 1.00 0.00 H new ATOM 0 HD2 ARG A 875 -19.650 -7.768 -10.244 1.00 0.00 H new ATOM 0 HD3 ARG A 875 -20.131 -8.408 -8.686 1.00 0.00 H new ATOM 0 HE ARG A 875 -21.558 -6.348 -8.402 1.00 0.00 H new ATOM 0 HH11 ARG A 875 -20.706 -7.333 -11.701 1.00 0.00 H new ATOM 0 HH12 ARG A 875 -22.103 -6.486 -12.373 1.00 0.00 H new ATOM 0 HH21 ARG A 875 -23.237 -5.242 -9.427 1.00 0.00 H new ATOM 0 HH22 ARG A 875 -23.432 -5.388 -11.177 1.00 0.00 H new ATOM 407 N ARG A 876 -19.898 -3.417 -11.464 1.00 0.00 N ATOM 408 CA ARG A 876 -20.389 -2.080 -11.848 1.00 0.00 C ATOM 409 C ARG A 876 -20.909 -1.335 -10.614 1.00 0.00 C ATOM 410 O ARG A 876 -21.760 -1.846 -9.887 1.00 0.00 O ATOM 411 CB ARG A 876 -21.459 -2.223 -12.954 1.00 0.00 C ATOM 412 CG ARG A 876 -21.397 -1.130 -14.036 1.00 0.00 C ATOM 413 CD ARG A 876 -21.679 0.303 -13.571 1.00 0.00 C ATOM 414 NE ARG A 876 -23.070 0.497 -13.116 1.00 0.00 N ATOM 415 CZ ARG A 876 -24.107 0.799 -13.878 1.00 0.00 C ATOM 416 NH1 ARG A 876 -24.038 0.878 -15.171 1.00 0.00 N1+ ATOM 417 NH2 ARG A 876 -25.274 1.051 -13.368 1.00 0.00 N ATOM 0 H ARG A 876 -20.589 -4.151 -11.623 1.00 0.00 H new ATOM 0 HA ARG A 876 -19.574 -1.482 -12.256 1.00 0.00 H new ATOM 0 HB2 ARG A 876 -21.345 -3.197 -13.430 1.00 0.00 H new ATOM 0 HB3 ARG A 876 -22.447 -2.207 -12.493 1.00 0.00 H new ATOM 0 HG2 ARG A 876 -20.406 -1.154 -14.490 1.00 0.00 H new ATOM 0 HG3 ARG A 876 -22.112 -1.383 -14.819 1.00 0.00 H new ATOM 0 HD2 ARG A 876 -20.998 0.556 -12.759 1.00 0.00 H new ATOM 0 HD3 ARG A 876 -21.470 0.993 -14.389 1.00 0.00 H new ATOM 0 HE ARG A 876 -23.248 0.387 -12.118 1.00 0.00 H new ATOM 0 HH11 ARG A 876 -23.153 0.703 -15.646 1.00 0.00 H new ATOM 0 HH12 ARG A 876 -24.869 1.115 -15.713 1.00 0.00 H new ATOM 0 HH21 ARG A 876 -25.407 1.018 -12.357 1.00 0.00 H new ATOM 0 HH22 ARG A 876 -26.058 1.282 -13.978 1.00 0.00 H new ATOM 431 N ILE A 877 -20.403 -0.126 -10.398 1.00 0.00 N ATOM 432 CA ILE A 877 -20.692 0.766 -9.264 1.00 0.00 C ATOM 433 C ILE A 877 -21.053 2.184 -9.750 1.00 0.00 C ATOM 434 O ILE A 877 -20.664 2.573 -10.855 1.00 0.00 O ATOM 435 CB ILE A 877 -19.476 0.794 -8.302 1.00 0.00 C ATOM 436 CG1 ILE A 877 -18.216 1.392 -8.976 1.00 0.00 C ATOM 437 CG2 ILE A 877 -19.220 -0.621 -7.746 1.00 0.00 C ATOM 438 CD1 ILE A 877 -17.032 1.609 -8.030 1.00 0.00 C ATOM 0 H ILE A 877 -19.736 0.291 -11.048 1.00 0.00 H new ATOM 0 HA ILE A 877 -21.557 0.382 -8.724 1.00 0.00 H new ATOM 0 HB ILE A 877 -19.711 1.455 -7.467 1.00 0.00 H new ATOM 0 HG12 ILE A 877 -17.903 0.730 -9.784 1.00 0.00 H new ATOM 0 HG13 ILE A 877 -18.481 2.347 -9.431 1.00 0.00 H new ATOM 0 HG21 ILE A 877 -18.365 -0.597 -7.071 1.00 0.00 H new ATOM 0 HG22 ILE A 877 -20.101 -0.964 -7.204 1.00 0.00 H new ATOM 0 HG23 ILE A 877 -19.013 -1.304 -8.570 1.00 0.00 H new ATOM 0 HD11 ILE A 877 -16.194 2.030 -8.586 1.00 0.00 H new ATOM 0 HD12 ILE A 877 -17.322 2.296 -7.235 1.00 0.00 H new ATOM 0 HD13 ILE A 877 -16.735 0.655 -7.594 1.00 0.00 H new ATOM 450 N PRO A 878 -21.745 3.011 -8.948 1.00 0.00 N ATOM 451 CA PRO A 878 -21.788 4.449 -9.193 1.00 0.00 C ATOM 452 C PRO A 878 -20.399 5.074 -8.960 1.00 0.00 C ATOM 453 O PRO A 878 -19.637 4.646 -8.090 1.00 0.00 O ATOM 454 CB PRO A 878 -22.846 4.988 -8.229 1.00 0.00 C ATOM 455 CG PRO A 878 -22.747 4.030 -7.043 1.00 0.00 C ATOM 456 CD PRO A 878 -22.430 2.686 -7.701 1.00 0.00 C ATOM 0 HA PRO A 878 -22.047 4.696 -10.223 1.00 0.00 H new ATOM 0 HB2 PRO A 878 -22.638 6.017 -7.936 1.00 0.00 H new ATOM 0 HB3 PRO A 878 -23.841 4.978 -8.674 1.00 0.00 H new ATOM 0 HG2 PRO A 878 -21.964 4.331 -6.347 1.00 0.00 H new ATOM 0 HG3 PRO A 878 -23.678 3.992 -6.478 1.00 0.00 H new ATOM 0 HD2 PRO A 878 -21.800 2.073 -7.056 1.00 0.00 H new ATOM 0 HD3 PRO A 878 -23.341 2.118 -7.891 1.00 0.00 H new ATOM 464 N ALA A 879 -20.069 6.127 -9.706 1.00 0.00 N ATOM 465 CA ALA A 879 -18.816 6.878 -9.557 1.00 0.00 C ATOM 466 C ALA A 879 -18.626 7.512 -8.159 1.00 0.00 C ATOM 467 O ALA A 879 -17.500 7.783 -7.746 1.00 0.00 O ATOM 468 CB ALA A 879 -18.780 7.955 -10.643 1.00 0.00 C ATOM 0 H ALA A 879 -20.672 6.491 -10.444 1.00 0.00 H new ATOM 0 HA ALA A 879 -17.990 6.175 -9.665 1.00 0.00 H new ATOM 0 HB1 ALA A 879 -17.858 8.529 -10.555 1.00 0.00 H new ATOM 0 HB2 ALA A 879 -18.822 7.483 -11.625 1.00 0.00 H new ATOM 0 HB3 ALA A 879 -19.635 8.621 -10.524 1.00 0.00 H new ATOM 474 N SER A 880 -19.702 7.683 -7.389 1.00 0.00 N ATOM 475 CA SER A 880 -19.647 8.081 -5.972 1.00 0.00 C ATOM 476 C SER A 880 -18.903 7.062 -5.093 1.00 0.00 C ATOM 477 O SER A 880 -18.299 7.448 -4.089 1.00 0.00 O ATOM 478 CB SER A 880 -21.068 8.286 -5.440 1.00 0.00 C ATOM 479 OG SER A 880 -21.829 7.095 -5.569 1.00 0.00 O ATOM 0 H SER A 880 -20.653 7.548 -7.733 1.00 0.00 H new ATOM 0 HA SER A 880 -19.085 9.014 -5.922 1.00 0.00 H new ATOM 0 HB2 SER A 880 -21.030 8.587 -4.393 1.00 0.00 H new ATOM 0 HB3 SER A 880 -21.553 9.094 -5.987 1.00 0.00 H new ATOM 0 HG SER A 880 -22.733 7.245 -5.222 1.00 0.00 H new ATOM 485 N VAL A 881 -18.870 5.781 -5.486 1.00 0.00 N ATOM 486 CA VAL A 881 -18.057 4.743 -4.834 1.00 0.00 C ATOM 487 C VAL A 881 -16.643 4.755 -5.391 1.00 0.00 C ATOM 488 O VAL A 881 -15.695 4.659 -4.619 1.00 0.00 O ATOM 489 CB VAL A 881 -18.716 3.350 -4.941 1.00 0.00 C ATOM 490 CG1 VAL A 881 -17.860 2.194 -4.408 1.00 0.00 C ATOM 491 CG2 VAL A 881 -20.032 3.325 -4.151 1.00 0.00 C ATOM 0 H VAL A 881 -19.414 5.432 -6.275 1.00 0.00 H new ATOM 0 HA VAL A 881 -17.998 4.971 -3.770 1.00 0.00 H new ATOM 0 HB VAL A 881 -18.862 3.199 -6.010 1.00 0.00 H new ATOM 0 HG11 VAL A 881 -18.403 1.256 -4.524 1.00 0.00 H new ATOM 0 HG12 VAL A 881 -16.926 2.145 -4.968 1.00 0.00 H new ATOM 0 HG13 VAL A 881 -17.642 2.359 -3.353 1.00 0.00 H new ATOM 0 HG21 VAL A 881 -20.487 2.338 -4.234 1.00 0.00 H new ATOM 0 HG22 VAL A 881 -19.831 3.545 -3.103 1.00 0.00 H new ATOM 0 HG23 VAL A 881 -20.713 4.074 -4.555 1.00 0.00 H new ATOM 501 N VAL A 882 -16.464 4.981 -6.697 1.00 0.00 N ATOM 502 CA VAL A 882 -15.109 5.038 -7.285 1.00 0.00 C ATOM 503 C VAL A 882 -14.301 6.259 -6.811 1.00 0.00 C ATOM 504 O VAL A 882 -13.073 6.250 -6.864 1.00 0.00 O ATOM 505 CB VAL A 882 -15.131 4.882 -8.822 1.00 0.00 C ATOM 506 CG1 VAL A 882 -15.022 6.187 -9.625 1.00 0.00 C ATOM 507 CG2 VAL A 882 -13.986 3.971 -9.280 1.00 0.00 C ATOM 0 H VAL A 882 -17.223 5.126 -7.363 1.00 0.00 H new ATOM 0 HA VAL A 882 -14.571 4.171 -6.902 1.00 0.00 H new ATOM 0 HB VAL A 882 -16.115 4.461 -9.027 1.00 0.00 H new ATOM 0 HG11 VAL A 882 -15.047 5.961 -10.691 1.00 0.00 H new ATOM 0 HG12 VAL A 882 -15.857 6.840 -9.372 1.00 0.00 H new ATOM 0 HG13 VAL A 882 -14.084 6.686 -9.382 1.00 0.00 H new ATOM 0 HG21 VAL A 882 -14.013 3.870 -10.365 1.00 0.00 H new ATOM 0 HG22 VAL A 882 -13.033 4.406 -8.980 1.00 0.00 H new ATOM 0 HG23 VAL A 882 -14.097 2.989 -8.821 1.00 0.00 H new ATOM 517 N GLY A 883 -14.985 7.288 -6.297 1.00 0.00 N ATOM 518 CA GLY A 883 -14.383 8.435 -5.603 1.00 0.00 C ATOM 519 C GLY A 883 -14.074 8.184 -4.117 1.00 0.00 C ATOM 520 O GLY A 883 -13.203 8.847 -3.552 1.00 0.00 O ATOM 0 H GLY A 883 -16.002 7.348 -6.353 1.00 0.00 H new ATOM 0 HA2 GLY A 883 -13.460 8.710 -6.113 1.00 0.00 H new ATOM 0 HA3 GLY A 883 -15.057 9.288 -5.683 1.00 0.00 H new ATOM 524 N SER A 884 -14.761 7.225 -3.482 1.00 0.00 N ATOM 525 CA SER A 884 -14.535 6.805 -2.088 1.00 0.00 C ATOM 526 C SER A 884 -13.428 5.743 -1.972 1.00 0.00 C ATOM 527 O SER A 884 -12.595 5.794 -1.064 1.00 0.00 O ATOM 528 CB SER A 884 -15.854 6.284 -1.501 1.00 0.00 C ATOM 529 OG SER A 884 -15.744 6.012 -0.112 1.00 0.00 O ATOM 0 H SER A 884 -15.511 6.704 -3.935 1.00 0.00 H new ATOM 0 HA SER A 884 -14.194 7.671 -1.520 1.00 0.00 H new ATOM 0 HB2 SER A 884 -16.641 7.020 -1.666 1.00 0.00 H new ATOM 0 HB3 SER A 884 -16.152 5.377 -2.026 1.00 0.00 H new ATOM 0 HG SER A 884 -16.603 5.684 0.226 1.00 0.00 H new ATOM 535 N ILE A 885 -13.394 4.796 -2.915 1.00 0.00 N ATOM 536 CA ILE A 885 -12.335 3.793 -3.089 1.00 0.00 C ATOM 537 C ILE A 885 -11.064 4.500 -3.598 1.00 0.00 C ATOM 538 O ILE A 885 -11.057 5.102 -4.672 1.00 0.00 O ATOM 539 CB ILE A 885 -12.840 2.671 -4.041 1.00 0.00 C ATOM 540 CG1 ILE A 885 -13.678 1.577 -3.333 1.00 0.00 C ATOM 541 CG2 ILE A 885 -11.716 1.916 -4.766 1.00 0.00 C ATOM 542 CD1 ILE A 885 -14.822 2.077 -2.447 1.00 0.00 C ATOM 0 H ILE A 885 -14.136 4.702 -3.609 1.00 0.00 H new ATOM 0 HA ILE A 885 -12.082 3.311 -2.145 1.00 0.00 H new ATOM 0 HB ILE A 885 -13.450 3.235 -4.747 1.00 0.00 H new ATOM 0 HG12 ILE A 885 -14.096 0.918 -4.094 1.00 0.00 H new ATOM 0 HG13 ILE A 885 -13.008 0.973 -2.721 1.00 0.00 H new ATOM 0 HG21 ILE A 885 -12.149 1.151 -5.410 1.00 0.00 H new ATOM 0 HG22 ILE A 885 -11.139 2.616 -5.371 1.00 0.00 H new ATOM 0 HG23 ILE A 885 -11.062 1.445 -4.032 1.00 0.00 H new ATOM 0 HD11 ILE A 885 -15.338 1.225 -2.004 1.00 0.00 H new ATOM 0 HD12 ILE A 885 -14.420 2.709 -1.656 1.00 0.00 H new ATOM 0 HD13 ILE A 885 -15.524 2.653 -3.050 1.00 0.00 H new ATOM 603 N ARG A 890 -8.662 -1.667 -0.439 1.00 0.00 N ATOM 604 CA ARG A 890 -9.017 -3.085 -0.611 1.00 0.00 C ATOM 605 C ARG A 890 -10.530 -3.272 -0.750 1.00 0.00 C ATOM 606 O ARG A 890 -11.191 -3.809 0.140 1.00 0.00 O ATOM 607 CB ARG A 890 -8.410 -3.931 0.525 1.00 0.00 C ATOM 608 CG ARG A 890 -6.874 -3.947 0.486 1.00 0.00 C ATOM 609 CD ARG A 890 -6.313 -4.848 1.594 1.00 0.00 C ATOM 610 NE ARG A 890 -4.836 -4.884 1.569 1.00 0.00 N ATOM 611 CZ ARG A 890 -4.064 -5.689 0.858 1.00 0.00 C ATOM 612 NH1 ARG A 890 -4.549 -6.586 0.046 1.00 0.00 N1+ ATOM 613 NH2 ARG A 890 -2.768 -5.604 0.950 1.00 0.00 N ATOM 0 HA ARG A 890 -8.585 -3.443 -1.545 1.00 0.00 H new ATOM 0 HB2 ARG A 890 -8.742 -3.537 1.485 1.00 0.00 H new ATOM 0 HB3 ARG A 890 -8.783 -4.953 0.453 1.00 0.00 H new ATOM 0 HG2 ARG A 890 -6.534 -4.303 -0.486 1.00 0.00 H new ATOM 0 HG3 ARG A 890 -6.492 -2.933 0.606 1.00 0.00 H new ATOM 0 HD2 ARG A 890 -6.652 -4.487 2.565 1.00 0.00 H new ATOM 0 HD3 ARG A 890 -6.704 -5.858 1.475 1.00 0.00 H new ATOM 0 HE ARG A 890 -4.357 -4.212 2.168 1.00 0.00 H new ATOM 0 HH11 ARG A 890 -5.559 -6.686 -0.059 1.00 0.00 H new ATOM 0 HH12 ARG A 890 -3.919 -7.188 -0.485 1.00 0.00 H new ATOM 0 HH21 ARG A 890 -2.345 -4.915 1.572 1.00 0.00 H new ATOM 0 HH22 ARG A 890 -2.176 -6.226 0.400 1.00 0.00 H new ATOM 627 N TRP A 891 -11.082 -2.828 -1.879 1.00 0.00 N ATOM 628 CA TRP A 891 -12.429 -3.230 -2.295 1.00 0.00 C ATOM 629 C TRP A 891 -12.393 -4.702 -2.736 1.00 0.00 C ATOM 630 O TRP A 891 -11.498 -5.089 -3.494 1.00 0.00 O ATOM 631 CB TRP A 891 -12.955 -2.316 -3.406 1.00 0.00 C ATOM 632 CG TRP A 891 -14.416 -2.470 -3.709 1.00 0.00 C ATOM 633 CD1 TRP A 891 -15.362 -1.598 -3.301 1.00 0.00 C ATOM 634 CD2 TRP A 891 -15.136 -3.524 -4.428 1.00 0.00 C ATOM 635 NE1 TRP A 891 -16.602 -1.995 -3.740 1.00 0.00 N ATOM 636 CE2 TRP A 891 -16.533 -3.207 -4.392 1.00 0.00 C ATOM 637 CE3 TRP A 891 -14.769 -4.719 -5.093 1.00 0.00 C ATOM 638 CZ2 TRP A 891 -17.513 -4.047 -4.931 1.00 0.00 C ATOM 639 CZ3 TRP A 891 -15.751 -5.572 -5.639 1.00 0.00 C ATOM 640 CH2 TRP A 891 -17.113 -5.245 -5.538 1.00 0.00 C ATOM 0 H TRP A 891 -10.618 -2.189 -2.524 1.00 0.00 H new ATOM 0 HA TRP A 891 -13.118 -3.130 -1.457 1.00 0.00 H new ATOM 0 HB2 TRP A 891 -12.764 -1.280 -3.126 1.00 0.00 H new ATOM 0 HB3 TRP A 891 -12.387 -2.510 -4.316 1.00 0.00 H new ATOM 0 HD1 TRP A 891 -15.171 -0.713 -2.712 1.00 0.00 H new ATOM 0 HE1 TRP A 891 -17.461 -1.462 -3.601 1.00 0.00 H new ATOM 0 HE3 TRP A 891 -13.725 -4.980 -5.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 -18.558 -3.778 -4.880 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 -15.453 -6.482 -6.138 1.00 0.00 H new ATOM 0 HH2 TRP A 891 -17.857 -5.922 -5.931 1.00 0.00 H new ATOM 651 N ILE A 892 -13.333 -5.524 -2.256 1.00 0.00 N ATOM 652 CA ILE A 892 -13.393 -6.968 -2.543 1.00 0.00 C ATOM 653 C ILE A 892 -14.833 -7.467 -2.742 1.00 0.00 C ATOM 654 O ILE A 892 -15.787 -6.835 -2.274 1.00 0.00 O ATOM 655 CB ILE A 892 -12.689 -7.780 -1.429 1.00 0.00 C ATOM 656 CG1 ILE A 892 -13.455 -7.711 -0.091 1.00 0.00 C ATOM 657 CG2 ILE A 892 -11.219 -7.363 -1.247 1.00 0.00 C ATOM 658 CD1 ILE A 892 -13.087 -8.850 0.859 1.00 0.00 C ATOM 0 H ILE A 892 -14.086 -5.203 -1.648 1.00 0.00 H new ATOM 0 HA ILE A 892 -12.864 -7.125 -3.483 1.00 0.00 H new ATOM 0 HB ILE A 892 -12.694 -8.819 -1.757 1.00 0.00 H new ATOM 0 HG12 ILE A 892 -13.246 -6.757 0.394 1.00 0.00 H new ATOM 0 HG13 ILE A 892 -14.527 -7.740 -0.289 1.00 0.00 H new ATOM 0 HG21 ILE A 892 -10.767 -7.960 -0.455 1.00 0.00 H new ATOM 0 HG22 ILE A 892 -10.677 -7.526 -2.178 1.00 0.00 H new ATOM 0 HG23 ILE A 892 -11.171 -6.308 -0.978 1.00 0.00 H new ATOM 0 HD11 ILE A 892 -13.656 -8.751 1.784 1.00 0.00 H new ATOM 0 HD12 ILE A 892 -13.321 -9.805 0.390 1.00 0.00 H new ATOM 0 HD13 ILE A 892 -12.021 -8.807 1.083 1.00 0.00 H new ATOM 670 N CYS A 893 -14.987 -8.655 -3.332 1.00 0.00 N ATOM 671 CA CYS A 893 -16.269 -9.328 -3.496 1.00 0.00 C ATOM 672 C CYS A 893 -17.095 -9.425 -2.192 1.00 0.00 C ATOM 673 O CYS A 893 -18.291 -9.149 -2.218 1.00 0.00 O ATOM 674 CB CYS A 893 -16.050 -10.721 -4.097 1.00 0.00 C ATOM 675 SG CYS A 893 -15.118 -10.701 -5.661 1.00 0.00 S ATOM 0 H CYS A 893 -14.204 -9.184 -3.716 1.00 0.00 H new ATOM 0 HA CYS A 893 -16.859 -8.713 -4.176 1.00 0.00 H new ATOM 0 HB2 CYS A 893 -15.518 -11.340 -3.374 1.00 0.00 H new ATOM 0 HB3 CYS A 893 -17.019 -11.191 -4.267 1.00 0.00 H new ATOM 0 HG CYS A 893 -13.893 -10.333 -5.431 1.00 0.00 H new ATOM 680 N MET A 894 -16.498 -9.813 -1.054 1.00 0.00 N ATOM 681 CA MET A 894 -17.256 -10.010 0.196 1.00 0.00 C ATOM 682 C MET A 894 -17.902 -8.699 0.706 1.00 0.00 C ATOM 683 O MET A 894 -18.949 -8.726 1.356 1.00 0.00 O ATOM 684 CB MET A 894 -16.325 -10.680 1.225 1.00 0.00 C ATOM 685 CG MET A 894 -16.789 -10.677 2.684 1.00 0.00 C ATOM 686 SD MET A 894 -16.457 -9.140 3.596 1.00 0.00 S ATOM 687 CE MET A 894 -17.168 -9.586 5.203 1.00 0.00 C ATOM 0 H MET A 894 -15.498 -9.996 -0.972 1.00 0.00 H new ATOM 0 HA MET A 894 -18.104 -10.670 0.015 1.00 0.00 H new ATOM 0 HB2 MET A 894 -16.171 -11.715 0.920 1.00 0.00 H new ATOM 0 HB3 MET A 894 -15.355 -10.186 1.177 1.00 0.00 H new ATOM 0 HG2 MET A 894 -17.861 -10.871 2.708 1.00 0.00 H new ATOM 0 HG3 MET A 894 -16.304 -11.502 3.205 1.00 0.00 H new ATOM 0 HE1 MET A 894 -17.053 -8.752 5.896 1.00 0.00 H new ATOM 0 HE2 MET A 894 -18.227 -9.814 5.082 1.00 0.00 H new ATOM 0 HE3 MET A 894 -16.652 -10.461 5.599 1.00 0.00 H new ATOM 697 N ASN A 895 -17.318 -7.547 0.352 1.00 0.00 N ATOM 698 CA ASN A 895 -17.817 -6.204 0.674 1.00 0.00 C ATOM 699 C ASN A 895 -18.912 -5.704 -0.300 1.00 0.00 C ATOM 700 O ASN A 895 -19.581 -4.710 -0.013 1.00 0.00 O ATOM 701 CB ASN A 895 -16.593 -5.257 0.778 1.00 0.00 C ATOM 702 CG ASN A 895 -16.621 -4.037 -0.133 1.00 0.00 C ATOM 703 OD1 ASN A 895 -16.765 -2.903 0.302 1.00 0.00 O ATOM 704 ND2 ASN A 895 -16.473 -4.228 -1.423 1.00 0.00 N ATOM 0 H ASN A 895 -16.452 -7.524 -0.187 1.00 0.00 H new ATOM 0 HA ASN A 895 -18.335 -6.227 1.633 1.00 0.00 H new ATOM 0 HB2 ASN A 895 -16.508 -4.915 1.810 1.00 0.00 H new ATOM 0 HB3 ASN A 895 -15.693 -5.831 0.558 1.00 0.00 H new ATOM 0 HD21 ASN A 895 -16.478 -3.432 -2.060 1.00 0.00 H new ATOM 0 HD22 ASN A 895 -16.353 -5.173 -1.788 1.00 0.00 H new ATOM 711 N ASN A 896 -19.077 -6.367 -1.451 1.00 0.00 N ATOM 712 CA ASN A 896 -19.969 -5.956 -2.539 1.00 0.00 C ATOM 713 C ASN A 896 -21.422 -5.751 -2.064 1.00 0.00 C ATOM 714 O ASN A 896 -22.001 -6.593 -1.374 1.00 0.00 O ATOM 715 CB ASN A 896 -19.894 -7.006 -3.665 1.00 0.00 C ATOM 716 CG ASN A 896 -20.728 -6.710 -4.899 1.00 0.00 C ATOM 717 OD1 ASN A 896 -21.223 -5.617 -5.129 1.00 0.00 O ATOM 718 ND2 ASN A 896 -20.938 -7.705 -5.726 1.00 0.00 N ATOM 0 H ASN A 896 -18.577 -7.232 -1.656 1.00 0.00 H new ATOM 0 HA ASN A 896 -19.636 -4.988 -2.913 1.00 0.00 H new ATOM 0 HB2 ASN A 896 -18.853 -7.111 -3.970 1.00 0.00 H new ATOM 0 HB3 ASN A 896 -20.207 -7.969 -3.260 1.00 0.00 H new ATOM 0 HD21 ASN A 896 -21.512 -7.565 -6.557 1.00 0.00 H new ATOM 0 HD22 ASN A 896 -20.527 -8.619 -5.538 1.00 0.00 H new ATOM 725 N SER A 897 -22.016 -4.642 -2.506 1.00 0.00 N ATOM 726 CA SER A 897 -23.439 -4.325 -2.315 1.00 0.00 C ATOM 727 C SER A 897 -24.387 -5.375 -2.908 1.00 0.00 C ATOM 728 O SER A 897 -25.404 -5.718 -2.305 1.00 0.00 O ATOM 729 CB SER A 897 -23.752 -2.990 -2.997 1.00 0.00 C ATOM 730 OG SER A 897 -23.300 -1.897 -2.210 1.00 0.00 O ATOM 0 H SER A 897 -21.512 -3.919 -3.020 1.00 0.00 H new ATOM 0 HA SER A 897 -23.602 -4.293 -1.238 1.00 0.00 H new ATOM 0 HB2 SER A 897 -23.276 -2.958 -3.977 1.00 0.00 H new ATOM 0 HB3 SER A 897 -24.826 -2.905 -3.161 1.00 0.00 H new ATOM 0 HG SER A 897 -23.510 -1.056 -2.667 1.00 0.00 H new ATOM 736 N ASP A 898 -24.063 -5.878 -4.100 1.00 0.00 N ATOM 737 CA ASP A 898 -24.915 -6.802 -4.859 1.00 0.00 C ATOM 738 C ASP A 898 -24.687 -8.262 -4.448 1.00 0.00 C ATOM 739 O ASP A 898 -23.767 -8.937 -4.916 1.00 0.00 O ATOM 740 CB ASP A 898 -24.724 -6.635 -6.372 1.00 0.00 C ATOM 741 CG ASP A 898 -24.758 -5.184 -6.884 1.00 0.00 C ATOM 742 OD1 ASP A 898 -25.591 -4.373 -6.413 1.00 0.00 O ATOM 743 OD2 ASP A 898 -23.963 -4.875 -7.803 1.00 0.00 O1- ATOM 0 H ASP A 898 -23.189 -5.653 -4.575 1.00 0.00 H new ATOM 0 HA ASP A 898 -25.946 -6.544 -4.616 1.00 0.00 H new ATOM 0 HB2 ASP A 898 -23.769 -7.079 -6.652 1.00 0.00 H new ATOM 0 HB3 ASP A 898 -25.501 -7.202 -6.884 1.00 0.00 H new ATOM 748 N LYS A 899 -25.587 -8.774 -3.609 1.00 0.00 N ATOM 749 CA LYS A 899 -25.555 -10.126 -3.019 1.00 0.00 C ATOM 750 C LYS A 899 -25.598 -11.260 -4.056 1.00 0.00 C ATOM 751 O LYS A 899 -25.191 -12.382 -3.756 1.00 0.00 O ATOM 752 CB LYS A 899 -26.711 -10.264 -2.009 1.00 0.00 C ATOM 753 CG LYS A 899 -26.628 -9.270 -0.836 1.00 0.00 C ATOM 754 CD LYS A 899 -25.692 -9.777 0.266 1.00 0.00 C ATOM 755 CE LYS A 899 -26.394 -10.829 1.134 1.00 0.00 C ATOM 756 NZ LYS A 899 -27.232 -10.217 2.201 1.00 0.00 N1+ ATOM 0 H LYS A 899 -26.399 -8.238 -3.303 1.00 0.00 H new ATOM 0 HA LYS A 899 -24.594 -10.233 -2.515 1.00 0.00 H new ATOM 0 HB2 LYS A 899 -27.657 -10.119 -2.531 1.00 0.00 H new ATOM 0 HB3 LYS A 899 -26.717 -11.280 -1.614 1.00 0.00 H new ATOM 0 HG2 LYS A 899 -26.274 -8.305 -1.200 1.00 0.00 H new ATOM 0 HG3 LYS A 899 -27.624 -9.109 -0.423 1.00 0.00 H new ATOM 0 HD2 LYS A 899 -24.796 -10.207 -0.181 1.00 0.00 H new ATOM 0 HD3 LYS A 899 -25.369 -8.942 0.888 1.00 0.00 H new ATOM 0 HE2 LYS A 899 -27.019 -11.459 0.502 1.00 0.00 H new ATOM 0 HE3 LYS A 899 -25.646 -11.477 1.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 899 -27.685 -10.968 2.760 1.00 0.00 H new ATOM 0 HZ2 LYS A 899 -26.633 -9.636 2.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 899 -27.964 -9.619 1.767 1.00 0.00 H new ATOM 770 N ARG A 900 -26.013 -10.953 -5.293 1.00 0.00 N ATOM 771 CA ARG A 900 -25.938 -11.844 -6.469 1.00 0.00 C ATOM 772 C ARG A 900 -24.500 -12.178 -6.886 1.00 0.00 C ATOM 773 O ARG A 900 -24.270 -13.230 -7.481 1.00 0.00 O ATOM 774 CB ARG A 900 -26.672 -11.183 -7.648 1.00 0.00 C ATOM 775 CG ARG A 900 -28.198 -11.212 -7.482 1.00 0.00 C ATOM 776 CD ARG A 900 -28.888 -10.594 -8.705 1.00 0.00 C ATOM 777 NE ARG A 900 -30.360 -10.659 -8.589 1.00 0.00 N ATOM 778 CZ ARG A 900 -31.166 -9.768 -8.035 1.00 0.00 C ATOM 779 NH1 ARG A 900 -30.725 -8.666 -7.495 1.00 0.00 N1+ ATOM 780 NH2 ARG A 900 -32.452 -9.973 -8.012 1.00 0.00 N ATOM 0 H ARG A 900 -26.425 -10.047 -5.514 1.00 0.00 H new ATOM 0 HA ARG A 900 -26.411 -12.785 -6.189 1.00 0.00 H new ATOM 0 HB2 ARG A 900 -26.340 -10.149 -7.745 1.00 0.00 H new ATOM 0 HB3 ARG A 900 -26.401 -11.693 -8.572 1.00 0.00 H new ATOM 0 HG2 ARG A 900 -28.535 -12.240 -7.349 1.00 0.00 H new ATOM 0 HG3 ARG A 900 -28.482 -10.665 -6.583 1.00 0.00 H new ATOM 0 HD2 ARG A 900 -28.576 -9.555 -8.813 1.00 0.00 H new ATOM 0 HD3 ARG A 900 -28.570 -11.118 -9.606 1.00 0.00 H new ATOM 0 HE ARG A 900 -30.807 -11.488 -8.982 1.00 0.00 H new ATOM 0 HH11 ARG A 900 -29.725 -8.465 -7.490 1.00 0.00 H new ATOM 0 HH12 ARG A 900 -31.380 -8.005 -7.078 1.00 0.00 H new ATOM 0 HH21 ARG A 900 -32.840 -10.822 -8.422 1.00 0.00 H new ATOM 0 HH22 ARG A 900 -33.071 -9.284 -7.584 1.00 0.00 H new ATOM 794 N PHE A 901 -23.541 -11.303 -6.568 1.00 0.00 N ATOM 795 CA PHE A 901 -22.141 -11.400 -7.010 1.00 0.00 C ATOM 796 C PHE A 901 -21.093 -11.206 -5.891 1.00 0.00 C ATOM 797 O PHE A 901 -19.900 -11.093 -6.168 1.00 0.00 O ATOM 798 CB PHE A 901 -21.894 -10.421 -8.180 1.00 0.00 C ATOM 799 CG PHE A 901 -22.941 -10.332 -9.284 1.00 0.00 C ATOM 800 CD1 PHE A 901 -23.977 -9.382 -9.182 1.00 0.00 C ATOM 801 CD2 PHE A 901 -22.851 -11.126 -10.445 1.00 0.00 C ATOM 802 CE1 PHE A 901 -24.926 -9.246 -10.210 1.00 0.00 C ATOM 803 CE2 PHE A 901 -23.801 -10.992 -11.475 1.00 0.00 C ATOM 804 CZ PHE A 901 -24.843 -10.055 -11.355 1.00 0.00 C ATOM 0 H PHE A 901 -23.718 -10.487 -5.982 1.00 0.00 H new ATOM 0 HA PHE A 901 -22.000 -12.428 -7.343 1.00 0.00 H new ATOM 0 HB2 PHE A 901 -21.771 -9.424 -7.758 1.00 0.00 H new ATOM 0 HB3 PHE A 901 -20.945 -10.690 -8.643 1.00 0.00 H new ATOM 0 HD1 PHE A 901 -24.042 -8.753 -8.306 1.00 0.00 H new ATOM 0 HD2 PHE A 901 -22.048 -11.842 -10.545 1.00 0.00 H new ATOM 0 HE1 PHE A 901 -25.719 -8.519 -10.119 1.00 0.00 H new ATOM 0 HE2 PHE A 901 -23.730 -11.609 -12.358 1.00 0.00 H new ATOM 0 HZ PHE A 901 -25.577 -9.958 -12.141 1.00 0.00 H new ATOM 814 N ALA A 902 -21.511 -11.150 -4.630 1.00 0.00 N ATOM 815 CA ALA A 902 -20.730 -10.745 -3.454 1.00 0.00 C ATOM 816 C ALA A 902 -19.854 -11.851 -2.830 1.00 0.00 C ATOM 817 O ALA A 902 -19.725 -11.966 -1.611 1.00 0.00 O ATOM 818 CB ALA A 902 -21.685 -10.079 -2.447 1.00 0.00 C ATOM 0 H ALA A 902 -22.467 -11.402 -4.380 1.00 0.00 H new ATOM 0 HA ALA A 902 -19.980 -10.026 -3.785 1.00 0.00 H new ATOM 0 HB1 ALA A 902 -21.125 -9.770 -1.564 1.00 0.00 H new ATOM 0 HB2 ALA A 902 -22.148 -9.206 -2.907 1.00 0.00 H new ATOM 0 HB3 ALA A 902 -22.459 -10.789 -2.155 1.00 0.00 H new ATOM 824 N ASP A 903 -19.228 -12.657 -3.684 1.00 0.00 N ATOM 825 CA ASP A 903 -18.189 -13.633 -3.335 1.00 0.00 C ATOM 826 C ASP A 903 -17.170 -13.802 -4.470 1.00 0.00 C ATOM 827 O ASP A 903 -17.518 -13.715 -5.650 1.00 0.00 O ATOM 828 CB ASP A 903 -18.823 -14.983 -2.966 1.00 0.00 C ATOM 829 CG ASP A 903 -19.336 -15.069 -1.515 1.00 0.00 C ATOM 830 OD1 ASP A 903 -20.524 -15.424 -1.312 1.00 0.00 O ATOM 831 OD2 ASP A 903 -18.530 -14.878 -0.573 1.00 0.00 O1- ATOM 0 H ASP A 903 -19.437 -12.650 -4.682 1.00 0.00 H new ATOM 0 HA ASP A 903 -17.651 -13.252 -2.467 1.00 0.00 H new ATOM 0 HB2 ASP A 903 -19.653 -15.178 -3.644 1.00 0.00 H new ATOM 0 HB3 ASP A 903 -18.088 -15.772 -3.126 1.00 0.00 H new ATOM 836 N CYS A 904 -15.925 -14.127 -4.110 1.00 0.00 N ATOM 837 CA CYS A 904 -14.864 -14.506 -5.039 1.00 0.00 C ATOM 838 C CYS A 904 -15.254 -15.748 -5.899 1.00 0.00 C ATOM 839 O CYS A 904 -14.693 -15.975 -6.973 1.00 0.00 O ATOM 840 CB CYS A 904 -13.585 -14.715 -4.199 1.00 0.00 C ATOM 841 SG CYS A 904 -13.069 -13.186 -3.332 1.00 0.00 S ATOM 0 H CYS A 904 -15.622 -14.133 -3.136 1.00 0.00 H new ATOM 0 HA CYS A 904 -14.690 -13.720 -5.774 1.00 0.00 H new ATOM 0 HB2 CYS A 904 -13.758 -15.505 -3.468 1.00 0.00 H new ATOM 0 HB3 CYS A 904 -12.777 -15.053 -4.848 1.00 0.00 H new ATOM 0 HG CYS A 904 -13.580 -12.153 -3.933 1.00 0.00 H new ATOM 846 N SER A 905 -16.216 -16.543 -5.410 1.00 0.00 N ATOM 847 CA SER A 905 -16.776 -17.726 -6.083 1.00 0.00 C ATOM 848 C SER A 905 -17.907 -17.387 -7.064 1.00 0.00 C ATOM 849 O SER A 905 -18.225 -18.193 -7.941 1.00 0.00 O ATOM 850 CB SER A 905 -17.324 -18.712 -5.044 1.00 0.00 C ATOM 851 OG SER A 905 -16.311 -19.100 -4.128 1.00 0.00 O ATOM 0 H SER A 905 -16.643 -16.374 -4.499 1.00 0.00 H new ATOM 0 HA SER A 905 -15.956 -18.164 -6.652 1.00 0.00 H new ATOM 0 HB2 SER A 905 -18.152 -18.254 -4.503 1.00 0.00 H new ATOM 0 HB3 SER A 905 -17.721 -19.593 -5.548 1.00 0.00 H new ATOM 0 HG SER A 905 -16.684 -19.727 -3.474 1.00 0.00 H new ATOM 857 N LYS A 906 -18.538 -16.212 -6.916 1.00 0.00 N ATOM 858 CA LYS A 906 -19.598 -15.724 -7.813 1.00 0.00 C ATOM 859 C LYS A 906 -19.051 -15.127 -9.117 1.00 0.00 C ATOM 860 O LYS A 906 -17.861 -14.842 -9.252 1.00 0.00 O ATOM 861 CB LYS A 906 -20.453 -14.681 -7.083 1.00 0.00 C ATOM 862 CG LYS A 906 -21.516 -15.180 -6.093 1.00 0.00 C ATOM 863 CD LYS A 906 -22.603 -16.094 -6.685 1.00 0.00 C ATOM 864 CE LYS A 906 -22.258 -17.584 -6.539 1.00 0.00 C ATOM 865 NZ LYS A 906 -23.337 -18.452 -7.081 1.00 0.00 N1+ ATOM 0 H LYS A 906 -18.323 -15.564 -6.158 1.00 0.00 H new ATOM 0 HA LYS A 906 -20.205 -16.586 -8.089 1.00 0.00 H new ATOM 0 HB2 LYS A 906 -19.779 -14.017 -6.542 1.00 0.00 H new ATOM 0 HB3 LYS A 906 -20.957 -14.077 -7.837 1.00 0.00 H new ATOM 0 HG2 LYS A 906 -21.013 -15.718 -5.289 1.00 0.00 H new ATOM 0 HG3 LYS A 906 -22.001 -14.314 -5.642 1.00 0.00 H new ATOM 0 HD2 LYS A 906 -23.553 -15.893 -6.189 1.00 0.00 H new ATOM 0 HD3 LYS A 906 -22.738 -15.857 -7.740 1.00 0.00 H new ATOM 0 HE2 LYS A 906 -21.324 -17.795 -7.061 1.00 0.00 H new ATOM 0 HE3 LYS A 906 -22.095 -17.819 -5.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 906 -23.070 -19.451 -6.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 906 -24.222 -18.268 -6.566 1.00 0.00 H new ATOM 0 HZ3 LYS A 906 -23.475 -18.245 -8.091 1.00 0.00 H new ATOM 879 N SER A 907 -19.969 -14.882 -10.052 1.00 0.00 N ATOM 880 CA SER A 907 -19.692 -14.396 -11.411 1.00 0.00 C ATOM 881 C SER A 907 -19.723 -12.857 -11.504 1.00 0.00 C ATOM 882 O SER A 907 -19.594 -12.171 -10.485 1.00 0.00 O ATOM 883 CB SER A 907 -20.663 -15.104 -12.373 1.00 0.00 C ATOM 884 OG SER A 907 -20.282 -14.925 -13.727 1.00 0.00 O ATOM 0 H SER A 907 -20.965 -15.021 -9.881 1.00 0.00 H new ATOM 0 HA SER A 907 -18.672 -14.648 -11.702 1.00 0.00 H new ATOM 0 HB2 SER A 907 -20.694 -16.169 -12.141 1.00 0.00 H new ATOM 0 HB3 SER A 907 -21.671 -14.716 -12.224 1.00 0.00 H new ATOM 0 HG SER A 907 -20.919 -15.389 -14.310 1.00 0.00 H new ATOM 890 N GLN A 908 -19.899 -12.312 -12.710 1.00 0.00 N ATOM 891 CA GLN A 908 -20.082 -10.892 -13.040 1.00 0.00 C ATOM 892 C GLN A 908 -20.945 -10.720 -14.307 1.00 0.00 C ATOM 893 O GLN A 908 -21.135 -11.660 -15.081 1.00 0.00 O ATOM 894 CB GLN A 908 -18.715 -10.194 -13.164 1.00 0.00 C ATOM 895 CG GLN A 908 -17.967 -10.476 -14.470 1.00 0.00 C ATOM 896 CD GLN A 908 -16.457 -10.219 -14.409 1.00 0.00 C ATOM 897 OE1 GLN A 908 -15.785 -10.325 -13.390 1.00 0.00 O ATOM 898 NE2 GLN A 908 -15.861 -9.896 -15.529 1.00 0.00 N ATOM 0 H GLN A 908 -19.919 -12.895 -13.547 1.00 0.00 H new ATOM 0 HA GLN A 908 -20.625 -10.410 -12.227 1.00 0.00 H new ATOM 0 HB2 GLN A 908 -18.862 -9.118 -13.071 1.00 0.00 H new ATOM 0 HB3 GLN A 908 -18.088 -10.503 -12.328 1.00 0.00 H new ATOM 0 HG2 GLN A 908 -18.134 -11.516 -14.752 1.00 0.00 H new ATOM 0 HG3 GLN A 908 -18.396 -9.859 -15.259 1.00 0.00 H new ATOM 0 HE21 GLN A 908 -16.404 -9.803 -16.387 1.00 0.00 H new ATOM 0 HE22 GLN A 908 -14.854 -9.737 -15.543 1.00 0.00 H new ATOM 907 N GLU A 909 -21.470 -9.512 -14.527 1.00 0.00 N ATOM 908 CA GLU A 909 -22.435 -9.222 -15.605 1.00 0.00 C ATOM 909 C GLU A 909 -21.856 -9.305 -17.033 1.00 0.00 C ATOM 910 O GLU A 909 -22.607 -9.588 -17.969 1.00 0.00 O ATOM 911 CB GLU A 909 -23.064 -7.839 -15.371 1.00 0.00 C ATOM 912 CG GLU A 909 -23.996 -7.829 -14.151 1.00 0.00 C ATOM 913 CD GLU A 909 -24.452 -6.400 -13.809 1.00 0.00 C ATOM 914 OE1 GLU A 909 -25.551 -5.977 -14.245 1.00 0.00 O ATOM 915 OE2 GLU A 909 -23.702 -5.704 -13.081 1.00 0.00 O1- ATOM 0 H GLU A 909 -21.239 -8.696 -13.960 1.00 0.00 H new ATOM 0 HA GLU A 909 -23.187 -10.009 -15.553 1.00 0.00 H new ATOM 0 HB2 GLU A 909 -22.274 -7.101 -15.230 1.00 0.00 H new ATOM 0 HB3 GLU A 909 -23.624 -7.541 -16.257 1.00 0.00 H new ATOM 0 HG2 GLU A 909 -24.867 -8.453 -14.351 1.00 0.00 H new ATOM 0 HG3 GLU A 909 -23.482 -8.264 -13.294 1.00 0.00 H new ATOM 922 N MET A 910 -20.542 -9.095 -17.214 1.00 0.00 N ATOM 923 CA MET A 910 -19.850 -9.204 -18.519 1.00 0.00 C ATOM 924 C MET A 910 -18.432 -9.758 -18.369 1.00 0.00 C ATOM 925 O MET A 910 -17.691 -9.295 -17.507 1.00 0.00 O ATOM 926 CB MET A 910 -19.734 -7.835 -19.216 1.00 0.00 C ATOM 927 CG MET A 910 -21.046 -7.277 -19.770 1.00 0.00 C ATOM 928 SD MET A 910 -21.692 -8.188 -21.202 1.00 0.00 S ATOM 929 CE MET A 910 -23.175 -7.202 -21.539 1.00 0.00 C ATOM 0 H MET A 910 -19.917 -8.841 -16.449 1.00 0.00 H new ATOM 0 HA MET A 910 -20.457 -9.885 -19.116 1.00 0.00 H new ATOM 0 HB2 MET A 910 -19.322 -7.117 -18.507 1.00 0.00 H new ATOM 0 HB3 MET A 910 -19.019 -7.920 -20.034 1.00 0.00 H new ATOM 0 HG2 MET A 910 -21.795 -7.286 -18.979 1.00 0.00 H new ATOM 0 HG3 MET A 910 -20.895 -6.235 -20.053 1.00 0.00 H new ATOM 0 HE1 MET A 910 -23.703 -7.620 -22.396 1.00 0.00 H new ATOM 0 HE2 MET A 910 -23.829 -7.218 -20.667 1.00 0.00 H new ATOM 0 HE3 MET A 910 -22.886 -6.174 -21.757 1.00 0.00 H new ATOM 939 N SER A 911 -18.013 -10.689 -19.232 1.00 0.00 N ATOM 940 CA SER A 911 -16.633 -11.222 -19.241 1.00 0.00 C ATOM 941 C SER A 911 -15.611 -10.130 -19.553 1.00 0.00 C ATOM 942 O SER A 911 -15.945 -9.121 -20.173 1.00 0.00 O ATOM 943 CB SER A 911 -16.454 -12.364 -20.248 1.00 0.00 C ATOM 944 OG SER A 911 -17.586 -13.222 -20.283 1.00 0.00 O ATOM 0 H SER A 911 -18.615 -11.099 -19.946 1.00 0.00 H new ATOM 0 HA SER A 911 -16.460 -11.610 -18.237 1.00 0.00 H new ATOM 0 HB2 SER A 911 -16.282 -11.949 -21.241 1.00 0.00 H new ATOM 0 HB3 SER A 911 -15.568 -12.943 -19.987 1.00 0.00 H new ATOM 0 HG SER A 911 -17.435 -13.936 -20.937 1.00 0.00 H new ATOM 950 N ASN A 912 -14.354 -10.321 -19.154 1.00 0.00 N ATOM 951 CA ASN A 912 -13.361 -9.231 -19.094 1.00 0.00 C ATOM 952 C ASN A 912 -13.098 -8.582 -20.467 1.00 0.00 C ATOM 953 O ASN A 912 -12.876 -7.374 -20.545 1.00 0.00 O ATOM 954 CB ASN A 912 -12.044 -9.740 -18.461 1.00 0.00 C ATOM 955 CG ASN A 912 -12.164 -10.213 -17.020 1.00 0.00 C ATOM 956 OD1 ASN A 912 -13.215 -10.182 -16.406 1.00 0.00 O ATOM 957 ND2 ASN A 912 -11.087 -10.644 -16.409 1.00 0.00 N ATOM 0 H ASN A 912 -13.989 -11.228 -18.863 1.00 0.00 H new ATOM 0 HA ASN A 912 -13.783 -8.449 -18.462 1.00 0.00 H new ATOM 0 HB2 ASN A 912 -11.661 -10.562 -19.067 1.00 0.00 H new ATOM 0 HB3 ASN A 912 -11.305 -8.940 -18.505 1.00 0.00 H new ATOM 0 HD21 ASN A 912 -11.139 -10.946 -15.436 1.00 0.00 H new ATOM 0 HD22 ASN A 912 -10.197 -10.677 -16.907 1.00 0.00 H new ATOM 964 N GLU A 913 -13.177 -9.378 -21.537 1.00 0.00 N ATOM 965 CA GLU A 913 -13.029 -8.946 -22.938 1.00 0.00 C ATOM 966 C GLU A 913 -14.307 -8.295 -23.524 1.00 0.00 C ATOM 967 O GLU A 913 -14.258 -7.605 -24.541 1.00 0.00 O ATOM 968 CB GLU A 913 -12.577 -10.169 -23.756 1.00 0.00 C ATOM 969 CG GLU A 913 -12.188 -9.849 -25.208 1.00 0.00 C ATOM 970 CD GLU A 913 -11.415 -11.006 -25.881 1.00 0.00 C ATOM 971 OE1 GLU A 913 -11.847 -12.183 -25.793 1.00 0.00 O ATOM 972 OE2 GLU A 913 -10.372 -10.746 -26.531 1.00 0.00 O1- ATOM 0 H GLU A 913 -13.352 -10.379 -21.453 1.00 0.00 H new ATOM 0 HA GLU A 913 -12.281 -8.155 -22.987 1.00 0.00 H new ATOM 0 HB2 GLU A 913 -11.725 -10.631 -23.257 1.00 0.00 H new ATOM 0 HB3 GLU A 913 -13.381 -10.905 -23.761 1.00 0.00 H new ATOM 0 HG2 GLU A 913 -13.089 -9.635 -25.783 1.00 0.00 H new ATOM 0 HG3 GLU A 913 -11.576 -8.948 -25.227 1.00 0.00 H new ATOM 979 N GLU A 914 -15.462 -8.490 -22.883 1.00 0.00 N ATOM 980 CA GLU A 914 -16.739 -7.855 -23.233 1.00 0.00 C ATOM 981 C GLU A 914 -16.915 -6.507 -22.517 1.00 0.00 C ATOM 982 O GLU A 914 -17.339 -5.538 -23.150 1.00 0.00 O ATOM 983 CB GLU A 914 -17.918 -8.787 -22.896 1.00 0.00 C ATOM 984 CG GLU A 914 -17.867 -10.171 -23.567 1.00 0.00 C ATOM 985 CD GLU A 914 -17.829 -10.125 -25.111 1.00 0.00 C ATOM 986 OE1 GLU A 914 -18.561 -9.313 -25.730 1.00 0.00 O ATOM 987 OE2 GLU A 914 -17.100 -10.942 -25.725 1.00 0.00 O1- ATOM 0 H GLU A 914 -15.539 -9.114 -22.080 1.00 0.00 H new ATOM 0 HA GLU A 914 -16.727 -7.669 -24.307 1.00 0.00 H new ATOM 0 HB2 GLU A 914 -17.955 -8.925 -21.815 1.00 0.00 H new ATOM 0 HB3 GLU A 914 -18.846 -8.294 -23.186 1.00 0.00 H new ATOM 0 HG2 GLU A 914 -16.986 -10.704 -23.209 1.00 0.00 H new ATOM 0 HG3 GLU A 914 -18.738 -10.747 -23.253 1.00 0.00 H new ATOM 994 N ILE A 915 -16.551 -6.408 -21.225 1.00 0.00 N ATOM 995 CA ILE A 915 -16.522 -5.119 -20.517 1.00 0.00 C ATOM 996 C ILE A 915 -15.461 -4.178 -21.111 1.00 0.00 C ATOM 997 O ILE A 915 -15.810 -3.102 -21.572 1.00 0.00 O ATOM 998 CB ILE A 915 -16.482 -5.256 -18.967 1.00 0.00 C ATOM 999 CG1 ILE A 915 -16.111 -3.941 -18.254 1.00 0.00 C ATOM 1000 CG2 ILE A 915 -15.569 -6.349 -18.400 1.00 0.00 C ATOM 1001 CD1 ILE A 915 -17.016 -2.770 -18.617 1.00 0.00 C ATOM 0 H ILE A 915 -16.274 -7.205 -20.653 1.00 0.00 H new ATOM 0 HA ILE A 915 -17.482 -4.633 -20.694 1.00 0.00 H new ATOM 0 HB ILE A 915 -17.512 -5.546 -18.760 1.00 0.00 H new ATOM 0 HG12 ILE A 915 -16.151 -4.099 -17.176 1.00 0.00 H new ATOM 0 HG13 ILE A 915 -15.081 -3.683 -18.500 1.00 0.00 H new ATOM 0 HG21 ILE A 915 -15.628 -6.344 -17.312 1.00 0.00 H new ATOM 0 HG22 ILE A 915 -15.888 -7.321 -18.776 1.00 0.00 H new ATOM 0 HG23 ILE A 915 -14.541 -6.160 -18.708 1.00 0.00 H new ATOM 0 HD11 ILE A 915 -16.694 -1.880 -18.077 1.00 0.00 H new ATOM 0 HD12 ILE A 915 -16.958 -2.584 -19.690 1.00 0.00 H new ATOM 0 HD13 ILE A 915 -18.044 -3.007 -18.345 1.00 0.00 H new ATOM 1013 N ASN A 916 -14.178 -4.538 -21.152 1.00 0.00 N ATOM 1014 CA ASN A 916 -13.118 -3.604 -21.593 1.00 0.00 C ATOM 1015 C ASN A 916 -13.351 -2.992 -23.004 1.00 0.00 C ATOM 1016 O ASN A 916 -13.000 -1.835 -23.249 1.00 0.00 O ATOM 1017 CB ASN A 916 -11.733 -4.263 -21.426 1.00 0.00 C ATOM 1018 CG ASN A 916 -11.373 -5.368 -22.413 1.00 0.00 C ATOM 1019 OD1 ASN A 916 -12.069 -5.693 -23.359 1.00 0.00 O ATOM 1020 ND2 ASN A 916 -10.242 -6.000 -22.212 1.00 0.00 N ATOM 0 H ASN A 916 -13.839 -5.463 -20.888 1.00 0.00 H new ATOM 0 HA ASN A 916 -13.159 -2.734 -20.938 1.00 0.00 H new ATOM 0 HB2 ASN A 916 -10.975 -3.483 -21.498 1.00 0.00 H new ATOM 0 HB3 ASN A 916 -11.672 -4.675 -20.419 1.00 0.00 H new ATOM 0 HD21 ASN A 916 -9.958 -6.750 -22.842 1.00 0.00 H new ATOM 0 HD22 ASN A 916 -9.646 -5.742 -21.425 1.00 0.00 H new ATOM 1027 N GLU A 917 -14.039 -3.717 -23.889 1.00 0.00 N ATOM 1028 CA GLU A 917 -14.530 -3.258 -25.197 1.00 0.00 C ATOM 1029 C GLU A 917 -15.607 -2.155 -25.132 1.00 0.00 C ATOM 1030 O GLU A 917 -15.668 -1.302 -26.018 1.00 0.00 O ATOM 1031 CB GLU A 917 -15.097 -4.462 -25.961 1.00 0.00 C ATOM 1032 CG GLU A 917 -14.039 -5.092 -26.884 1.00 0.00 C ATOM 1033 CD GLU A 917 -14.570 -6.237 -27.780 1.00 0.00 C ATOM 1034 OE1 GLU A 917 -15.799 -6.353 -28.015 1.00 0.00 O ATOM 1035 OE2 GLU A 917 -13.738 -7.001 -28.329 1.00 0.00 O1- ATOM 0 H GLU A 917 -14.283 -4.690 -23.706 1.00 0.00 H new ATOM 0 HA GLU A 917 -13.674 -2.812 -25.703 1.00 0.00 H new ATOM 0 HB2 GLU A 917 -15.454 -5.209 -25.252 1.00 0.00 H new ATOM 0 HB3 GLU A 917 -15.957 -4.147 -26.553 1.00 0.00 H new ATOM 0 HG2 GLU A 917 -13.621 -4.313 -27.521 1.00 0.00 H new ATOM 0 HG3 GLU A 917 -13.223 -5.475 -26.272 1.00 0.00 H new ATOM 1042 N GLU A 918 -16.440 -2.143 -24.088 1.00 0.00 N ATOM 1043 CA GLU A 918 -17.466 -1.112 -23.828 1.00 0.00 C ATOM 1044 C GLU A 918 -16.865 0.298 -23.697 1.00 0.00 C ATOM 1045 O GLU A 918 -17.480 1.280 -24.121 1.00 0.00 O ATOM 1046 CB GLU A 918 -18.244 -1.460 -22.540 1.00 0.00 C ATOM 1047 CG GLU A 918 -19.586 -0.719 -22.412 1.00 0.00 C ATOM 1048 CD GLU A 918 -20.496 -1.349 -21.339 1.00 0.00 C ATOM 1049 OE1 GLU A 918 -20.800 -2.563 -21.389 1.00 0.00 O ATOM 1050 OE2 GLU A 918 -21.020 -0.603 -20.484 1.00 0.00 O1- ATOM 0 H GLU A 918 -16.424 -2.871 -23.374 1.00 0.00 H new ATOM 0 HA GLU A 918 -18.138 -1.104 -24.687 1.00 0.00 H new ATOM 0 HB2 GLU A 918 -18.428 -2.534 -22.516 1.00 0.00 H new ATOM 0 HB3 GLU A 918 -17.624 -1.223 -21.676 1.00 0.00 H new ATOM 0 HG2 GLU A 918 -19.400 0.326 -22.162 1.00 0.00 H new ATOM 0 HG3 GLU A 918 -20.099 -0.730 -23.374 1.00 0.00 H new ATOM 1057 N LEU A 919 -15.653 0.393 -23.133 1.00 0.00 N ATOM 1058 CA LEU A 919 -14.893 1.644 -23.002 1.00 0.00 C ATOM 1059 C LEU A 919 -13.871 1.827 -24.141 1.00 0.00 C ATOM 1060 O LEU A 919 -13.598 2.956 -24.553 1.00 0.00 O ATOM 1061 CB LEU A 919 -14.179 1.712 -21.640 1.00 0.00 C ATOM 1062 CG LEU A 919 -15.034 1.295 -20.427 1.00 0.00 C ATOM 1063 CD1 LEU A 919 -14.738 -0.153 -20.030 1.00 0.00 C ATOM 1064 CD2 LEU A 919 -14.758 2.194 -19.235 1.00 0.00 C ATOM 0 H LEU A 919 -15.163 -0.414 -22.747 1.00 0.00 H new ATOM 0 HA LEU A 919 -15.614 2.458 -23.069 1.00 0.00 H new ATOM 0 HB2 LEU A 919 -13.297 1.073 -21.679 1.00 0.00 H new ATOM 0 HB3 LEU A 919 -13.828 2.732 -21.483 1.00 0.00 H new ATOM 0 HG LEU A 919 -16.081 1.389 -20.717 1.00 0.00 H new ATOM 0 HD11 LEU A 919 -15.352 -0.428 -19.172 1.00 0.00 H new ATOM 0 HD12 LEU A 919 -14.967 -0.814 -20.866 1.00 0.00 H new ATOM 0 HD13 LEU A 919 -13.684 -0.250 -19.769 1.00 0.00 H new ATOM 0 HD21 LEU A 919 -15.373 1.880 -18.392 1.00 0.00 H new ATOM 0 HD22 LEU A 919 -13.705 2.123 -18.962 1.00 0.00 H new ATOM 0 HD23 LEU A 919 -14.997 3.225 -19.494 1.00 0.00 H new ATOM 1076 N GLY A 920 -13.309 0.721 -24.642 1.00 0.00 N ATOM 1077 CA GLY A 920 -12.292 0.692 -25.702 1.00 0.00 C ATOM 1078 C GLY A 920 -10.858 0.658 -25.157 1.00 0.00 C ATOM 1079 O GLY A 920 -9.980 1.352 -25.674 1.00 0.00 O ATOM 0 H GLY A 920 -13.558 -0.211 -24.310 1.00 0.00 H new ATOM 0 HA2 GLY A 920 -12.456 -0.183 -26.332 1.00 0.00 H new ATOM 0 HA3 GLY A 920 -12.412 1.569 -26.337 1.00 0.00 H new ATOM 1083 N ILE A 921 -10.636 -0.110 -24.084 1.00 0.00 N ATOM 1084 CA ILE A 921 -9.392 -0.160 -23.292 1.00 0.00 C ATOM 1085 C ILE A 921 -8.898 -1.601 -23.080 1.00 0.00 C ATOM 1086 O ILE A 921 -9.546 -2.564 -23.496 1.00 0.00 O ATOM 1087 CB ILE A 921 -9.580 0.593 -21.950 1.00 0.00 C ATOM 1088 CG1 ILE A 921 -10.591 -0.117 -21.020 1.00 0.00 C ATOM 1089 CG2 ILE A 921 -9.929 2.068 -22.210 1.00 0.00 C ATOM 1090 CD1 ILE A 921 -10.858 0.645 -19.716 1.00 0.00 C ATOM 0 H ILE A 921 -11.349 -0.744 -23.724 1.00 0.00 H new ATOM 0 HA ILE A 921 -8.611 0.347 -23.859 1.00 0.00 H new ATOM 0 HB ILE A 921 -8.633 0.575 -21.410 1.00 0.00 H new ATOM 0 HG12 ILE A 921 -11.532 -0.251 -21.553 1.00 0.00 H new ATOM 0 HG13 ILE A 921 -10.216 -1.112 -20.780 1.00 0.00 H new ATOM 0 HG21 ILE A 921 -10.058 2.584 -21.259 1.00 0.00 H new ATOM 0 HG22 ILE A 921 -9.123 2.539 -22.772 1.00 0.00 H new ATOM 0 HG23 ILE A 921 -10.854 2.127 -22.784 1.00 0.00 H new ATOM 0 HD11 ILE A 921 -11.576 0.091 -19.111 1.00 0.00 H new ATOM 0 HD12 ILE A 921 -9.926 0.756 -19.162 1.00 0.00 H new ATOM 0 HD13 ILE A 921 -11.262 1.631 -19.947 1.00 0.00 H new ATOM 1262 N GLN B 5 -14.388 2.814 -16.190 1.00 0.00 N ATOM 1263 CA GLN B 5 -15.188 4.020 -15.921 1.00 0.00 C ATOM 1264 C GLN B 5 -16.444 4.181 -16.814 1.00 0.00 C ATOM 1265 O GLN B 5 -16.698 5.250 -17.368 1.00 0.00 O ATOM 1266 CB GLN B 5 -14.261 5.242 -15.957 1.00 0.00 C ATOM 1267 CG GLN B 5 -13.589 5.558 -17.315 1.00 0.00 C ATOM 1268 CD GLN B 5 -12.312 4.780 -17.633 1.00 0.00 C ATOM 1269 OE1 GLN B 5 -11.783 4.004 -16.851 1.00 0.00 O ATOM 1270 NE2 GLN B 5 -11.787 4.925 -18.829 1.00 0.00 N ATOM 0 HA GLN B 5 -15.617 3.917 -14.924 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -14.836 6.116 -15.649 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -13.477 5.098 -15.214 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -14.312 5.368 -18.108 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -13.358 6.623 -17.343 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -12.212 5.567 -19.498 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -10.955 4.395 -19.088 1.00 0.00 H new ATOM 1279 N THR B 6 -17.216 3.109 -17.001 1.00 0.00 N ATOM 1280 CA THR B 6 -18.336 3.062 -17.970 1.00 0.00 C ATOM 1281 C THR B 6 -19.407 4.132 -17.728 1.00 0.00 C ATOM 1282 O THR B 6 -20.084 4.138 -16.700 1.00 0.00 O ATOM 1283 CB THR B 6 -19.054 1.706 -18.017 1.00 0.00 C ATOM 1284 OG1 THR B 6 -19.372 1.257 -16.720 1.00 0.00 O ATOM 1285 CG2 THR B 6 -18.234 0.625 -18.708 1.00 0.00 C ATOM 0 H THR B 6 -17.089 2.238 -16.486 1.00 0.00 H new ATOM 0 HA THR B 6 -17.837 3.249 -18.921 1.00 0.00 H new ATOM 0 HB THR B 6 -19.962 1.875 -18.596 1.00 0.00 H new ATOM 0 HG1 THR B 6 -18.624 0.735 -16.362 1.00 0.00 H new ATOM 0 HG21 THR B 6 -18.793 -0.310 -18.710 1.00 0.00 H new ATOM 0 HG22 THR B 6 -18.027 0.926 -19.735 1.00 0.00 H new ATOM 0 HG23 THR B 6 -17.294 0.484 -18.174 1.00 0.00 H new