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= 2.2 K(o=3.1,f=-4.3!) USER MOD Set 1.2: A 912 ASN : amide:sc= 0.923 K(o=3.1,f=-5.6) USER MOD Set 2.1: A 868 CYS SG : rot -176:sc= 1.11 USER MOD Set 2.2: A 871 CYS SG : rot -38:sc= 0.402 USER MOD Set 2.3: A 893 CYS SG : rot 58:sc= -0.969 USER MOD Set 2.4: A 904 CYS SG : rot 180:sc= 0 USER MOD Single : A 863 SER OG : rot 26:sc= 0.114 USER MOD Single : A 873 LYS NZ :NH3+ -172:sc= 1.93 (180deg=1.86) 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= 1.78 K(o=1.8,f=0) USER MOD Single : A 896 ASN : amide:sc= 0.418 K(o=0.42,f=-4.1!) 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 73:sc= 0.00847 USER MOD Single : A 910 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 911 SER OG : rot 180:sc= 0 USER MOD Single : A 916 ASN : amide:sc= -0.183 K(o=-0.18,f=-5.4!) USER MOD Single : B 5 GLN : amide:sc= 0 K(o=0,f=-0.58) USER MOD Single : B 6 THR OG1 : rot 138:sc= 1.18! USER MOD ----------------------------------------------------------------- ATOM 188 N SER A 863 -20.974 6.740 -13.288 1.00 0.00 N ATOM 189 CA SER A 863 -20.892 5.398 -12.678 1.00 0.00 C ATOM 190 C SER A 863 -19.925 4.455 -13.405 1.00 0.00 C ATOM 191 O SER A 863 -19.927 4.367 -14.636 1.00 0.00 O ATOM 192 CB SER A 863 -22.285 4.769 -12.616 1.00 0.00 C ATOM 193 OG SER A 863 -23.150 5.620 -11.878 1.00 0.00 O ATOM 0 HA SER A 863 -20.493 5.537 -11.673 1.00 0.00 H new ATOM 0 HB2 SER A 863 -22.675 4.620 -13.623 1.00 0.00 H new ATOM 0 HB3 SER A 863 -22.233 3.787 -12.145 1.00 0.00 H new ATOM 0 HG SER A 863 -22.830 6.544 -11.939 1.00 0.00 H new ATOM 199 N ALA A 864 -19.116 3.722 -12.638 1.00 0.00 N ATOM 200 CA ALA A 864 -17.863 3.115 -13.110 1.00 0.00 C ATOM 201 C ALA A 864 -17.609 1.731 -12.498 1.00 0.00 C ATOM 202 O ALA A 864 -18.406 1.265 -11.695 1.00 0.00 O ATOM 203 CB ALA A 864 -16.731 4.105 -12.800 1.00 0.00 C ATOM 0 H ALA A 864 -19.313 3.528 -11.656 1.00 0.00 H new ATOM 0 HA ALA A 864 -17.922 2.934 -14.183 1.00 0.00 H new ATOM 0 HB1 ALA A 864 -15.781 3.689 -13.137 1.00 0.00 H new ATOM 0 HB2 ALA A 864 -16.919 5.046 -13.317 1.00 0.00 H new ATOM 0 HB3 ALA A 864 -16.688 4.284 -11.726 1.00 0.00 H new ATOM 209 N TRP A 865 -16.540 1.033 -12.881 1.00 0.00 N ATOM 210 CA TRP A 865 -16.192 -0.260 -12.266 1.00 0.00 C ATOM 211 C TRP A 865 -15.301 -0.132 -11.020 1.00 0.00 C ATOM 212 O TRP A 865 -14.760 0.929 -10.705 1.00 0.00 O ATOM 213 CB TRP A 865 -15.577 -1.191 -13.319 1.00 0.00 C ATOM 214 CG TRP A 865 -16.496 -1.508 -14.458 1.00 0.00 C ATOM 215 CD1 TRP A 865 -16.715 -0.694 -15.508 1.00 0.00 C ATOM 216 CD2 TRP A 865 -17.382 -2.655 -14.662 1.00 0.00 C ATOM 217 NE1 TRP A 865 -17.692 -1.227 -16.319 1.00 0.00 N ATOM 218 CE2 TRP A 865 -18.162 -2.430 -15.834 1.00 0.00 C ATOM 219 CE3 TRP A 865 -17.588 -3.877 -13.990 1.00 0.00 C ATOM 220 CZ2 TRP A 865 -19.129 -3.346 -16.279 1.00 0.00 C ATOM 221 CZ3 TRP A 865 -18.517 -4.832 -14.455 1.00 0.00 C ATOM 222 CH2 TRP A 865 -19.298 -4.560 -15.591 1.00 0.00 C ATOM 0 H TRP A 865 -15.897 1.336 -13.613 1.00 0.00 H new ATOM 0 HA TRP A 865 -17.119 -0.701 -11.901 1.00 0.00 H new ATOM 0 HB2 TRP A 865 -14.671 -0.730 -13.713 1.00 0.00 H new ATOM 0 HB3 TRP A 865 -15.277 -2.121 -12.837 1.00 0.00 H new ATOM 0 HD1 TRP A 865 -16.201 0.239 -15.688 1.00 0.00 H new ATOM 0 HE1 TRP A 865 -18.028 -0.786 -17.175 1.00 0.00 H new ATOM 0 HE3 TRP A 865 -17.020 -4.088 -13.096 1.00 0.00 H new ATOM 0 HZ2 TRP A 865 -19.737 -3.120 -17.142 1.00 0.00 H new ATOM 0 HZ3 TRP A 865 -18.628 -5.773 -13.937 1.00 0.00 H new ATOM 0 HH2 TRP A 865 -20.025 -5.281 -15.934 1.00 0.00 H new ATOM 233 N VAL A 866 -15.138 -1.263 -10.332 1.00 0.00 N ATOM 234 CA VAL A 866 -14.092 -1.537 -9.336 1.00 0.00 C ATOM 235 C VAL A 866 -13.578 -2.968 -9.519 1.00 0.00 C ATOM 236 O VAL A 866 -14.353 -3.870 -9.851 1.00 0.00 O ATOM 237 CB VAL A 866 -14.586 -1.274 -7.898 1.00 0.00 C ATOM 238 CG1 VAL A 866 -15.825 -2.098 -7.532 1.00 0.00 C ATOM 239 CG2 VAL A 866 -13.501 -1.561 -6.861 1.00 0.00 C ATOM 0 H VAL A 866 -15.764 -2.058 -10.459 1.00 0.00 H new ATOM 0 HA VAL A 866 -13.262 -0.849 -9.497 1.00 0.00 H new ATOM 0 HB VAL A 866 -14.848 -0.216 -7.881 1.00 0.00 H new ATOM 0 HG11 VAL A 866 -16.125 -1.870 -6.509 1.00 0.00 H new ATOM 0 HG12 VAL A 866 -16.640 -1.852 -8.213 1.00 0.00 H new ATOM 0 HG13 VAL A 866 -15.593 -3.160 -7.614 1.00 0.00 H new ATOM 0 HG21 VAL A 866 -13.891 -1.363 -5.862 1.00 0.00 H new ATOM 0 HG22 VAL A 866 -13.197 -2.606 -6.932 1.00 0.00 H new ATOM 0 HG23 VAL A 866 -12.640 -0.920 -7.048 1.00 0.00 H new ATOM 249 N ARG A 867 -12.267 -3.168 -9.332 1.00 0.00 N ATOM 250 CA ARG A 867 -11.608 -4.482 -9.281 1.00 0.00 C ATOM 251 C ARG A 867 -11.572 -5.040 -7.849 1.00 0.00 C ATOM 252 O ARG A 867 -11.282 -4.292 -6.914 1.00 0.00 O ATOM 253 CB ARG A 867 -10.162 -4.318 -9.787 1.00 0.00 C ATOM 254 CG ARG A 867 -9.602 -5.613 -10.380 1.00 0.00 C ATOM 255 CD ARG A 867 -8.119 -5.462 -10.733 1.00 0.00 C ATOM 256 NE ARG A 867 -7.380 -6.685 -10.355 1.00 0.00 N ATOM 257 CZ ARG A 867 -6.557 -7.399 -11.095 1.00 0.00 C ATOM 258 NH1 ARG A 867 -6.187 -7.045 -12.289 1.00 0.00 N1+ ATOM 259 NH2 ARG A 867 -6.078 -8.523 -10.658 1.00 0.00 N ATOM 0 H ARG A 867 -11.613 -2.395 -9.208 1.00 0.00 H new ATOM 0 HA ARG A 867 -12.170 -5.179 -9.903 1.00 0.00 H new ATOM 0 HB2 ARG A 867 -10.131 -3.532 -10.542 1.00 0.00 H new ATOM 0 HB3 ARG A 867 -9.526 -3.994 -8.963 1.00 0.00 H new ATOM 0 HG2 ARG A 867 -9.728 -6.428 -9.667 1.00 0.00 H new ATOM 0 HG3 ARG A 867 -10.166 -5.881 -11.273 1.00 0.00 H new ATOM 0 HD2 ARG A 867 -8.009 -5.277 -11.801 1.00 0.00 H new ATOM 0 HD3 ARG A 867 -7.700 -4.600 -10.215 1.00 0.00 H new ATOM 0 HE ARG A 867 -7.526 -7.018 -9.402 1.00 0.00 H new ATOM 0 HH11 ARG A 867 -6.537 -6.177 -12.695 1.00 0.00 H new ATOM 0 HH12 ARG A 867 -5.547 -7.635 -12.820 1.00 0.00 H new ATOM 0 HH21 ARG A 867 -6.338 -8.863 -9.732 1.00 0.00 H new ATOM 0 HH22 ARG A 867 -5.441 -9.067 -11.241 1.00 0.00 H new ATOM 273 N CYS A 868 -11.753 -6.348 -7.679 1.00 0.00 N ATOM 274 CA CYS A 868 -11.445 -7.043 -6.434 1.00 0.00 C ATOM 275 C CYS A 868 -9.921 -7.057 -6.153 1.00 0.00 C ATOM 276 O CYS A 868 -9.127 -7.556 -6.959 1.00 0.00 O ATOM 277 CB CYS A 868 -12.058 -8.445 -6.511 1.00 0.00 C ATOM 278 SG CYS A 868 -11.732 -9.395 -4.987 1.00 0.00 S ATOM 0 H CYS A 868 -12.121 -6.959 -8.408 1.00 0.00 H new ATOM 0 HA CYS A 868 -11.882 -6.517 -5.585 1.00 0.00 H new ATOM 0 HB2 CYS A 868 -13.133 -8.366 -6.670 1.00 0.00 H new ATOM 0 HB3 CYS A 868 -11.647 -8.977 -7.369 1.00 0.00 H new ATOM 0 HG CYS A 868 -12.194 -10.603 -5.121 1.00 0.00 H new ATOM 283 N ASP A 869 -9.525 -6.527 -4.995 1.00 0.00 N ATOM 284 CA ASP A 869 -8.157 -6.582 -4.471 1.00 0.00 C ATOM 285 C ASP A 869 -7.706 -7.976 -3.979 1.00 0.00 C ATOM 286 O ASP A 869 -6.513 -8.174 -3.743 1.00 0.00 O ATOM 287 CB ASP A 869 -8.014 -5.538 -3.349 1.00 0.00 C ATOM 288 CG ASP A 869 -8.009 -4.088 -3.869 1.00 0.00 C ATOM 289 OD1 ASP A 869 -7.261 -3.801 -4.833 1.00 0.00 O ATOM 290 OD2 ASP A 869 -8.687 -3.220 -3.271 1.00 0.00 O1- ATOM 0 H ASP A 869 -10.167 -6.032 -4.376 1.00 0.00 H new ATOM 0 HA ASP A 869 -7.493 -6.357 -5.306 1.00 0.00 H new ATOM 0 HB2 ASP A 869 -8.833 -5.661 -2.640 1.00 0.00 H new ATOM 0 HB3 ASP A 869 -7.089 -5.725 -2.803 1.00 0.00 H new ATOM 295 N ASP A 870 -8.617 -8.949 -3.831 1.00 0.00 N ATOM 296 CA ASP A 870 -8.287 -10.323 -3.407 1.00 0.00 C ATOM 297 C ASP A 870 -8.158 -11.305 -4.590 1.00 0.00 C ATOM 298 O ASP A 870 -7.381 -12.261 -4.509 1.00 0.00 O ATOM 299 CB ASP A 870 -9.322 -10.824 -2.386 1.00 0.00 C ATOM 300 CG ASP A 870 -8.880 -12.096 -1.630 1.00 0.00 C ATOM 301 OD1 ASP A 870 -9.742 -12.963 -1.350 1.00 0.00 O ATOM 302 OD2 ASP A 870 -7.690 -12.215 -1.244 1.00 0.00 O1- ATOM 0 H ASP A 870 -9.612 -8.806 -4.003 1.00 0.00 H new ATOM 0 HA ASP A 870 -7.305 -10.286 -2.936 1.00 0.00 H new ATOM 0 HB2 ASP A 870 -9.520 -10.032 -1.663 1.00 0.00 H new ATOM 0 HB3 ASP A 870 -10.261 -11.026 -2.902 1.00 0.00 H new ATOM 307 N CYS A 871 -8.868 -11.050 -5.699 1.00 0.00 N ATOM 308 CA CYS A 871 -8.706 -11.753 -6.968 1.00 0.00 C ATOM 309 C CYS A 871 -8.490 -10.772 -8.159 1.00 0.00 C ATOM 310 O CYS A 871 -7.376 -10.296 -8.409 1.00 0.00 O ATOM 311 CB CYS A 871 -9.799 -12.858 -7.081 1.00 0.00 C ATOM 312 SG CYS A 871 -11.519 -12.385 -7.537 1.00 0.00 S ATOM 0 H CYS A 871 -9.588 -10.329 -5.733 1.00 0.00 H new ATOM 0 HA CYS A 871 -7.771 -12.311 -7.013 1.00 0.00 H new ATOM 0 HB2 CYS A 871 -9.454 -13.585 -7.816 1.00 0.00 H new ATOM 0 HB3 CYS A 871 -9.845 -13.372 -6.121 1.00 0.00 H new ATOM 0 HG CYS A 871 -11.826 -11.259 -6.964 1.00 0.00 H new ATOM 317 N PHE A 872 -9.567 -10.463 -8.873 1.00 0.00 N ATOM 318 CA PHE A 872 -9.644 -9.525 -10.004 1.00 0.00 C ATOM 319 C PHE A 872 -11.077 -9.128 -10.395 1.00 0.00 C ATOM 320 O PHE A 872 -11.252 -8.148 -11.116 1.00 0.00 O ATOM 321 CB PHE A 872 -8.970 -10.123 -11.251 1.00 0.00 C ATOM 322 CG PHE A 872 -9.713 -11.291 -11.883 1.00 0.00 C ATOM 323 CD1 PHE A 872 -10.754 -11.061 -12.808 1.00 0.00 C ATOM 324 CD2 PHE A 872 -9.393 -12.612 -11.514 1.00 0.00 C ATOM 325 CE1 PHE A 872 -11.484 -12.139 -13.338 1.00 0.00 C ATOM 326 CE2 PHE A 872 -10.111 -13.692 -12.060 1.00 0.00 C ATOM 327 CZ PHE A 872 -11.159 -13.456 -12.969 1.00 0.00 C ATOM 0 H PHE A 872 -10.473 -10.885 -8.669 1.00 0.00 H new ATOM 0 HA PHE A 872 -9.129 -8.629 -9.658 1.00 0.00 H new ATOM 0 HB2 PHE A 872 -8.857 -9.337 -11.997 1.00 0.00 H new ATOM 0 HB3 PHE A 872 -7.967 -10.453 -10.981 1.00 0.00 H new ATOM 0 HD1 PHE A 872 -10.991 -10.052 -13.110 1.00 0.00 H new ATOM 0 HD2 PHE A 872 -8.595 -12.796 -10.810 1.00 0.00 H new ATOM 0 HE1 PHE A 872 -12.294 -11.956 -14.028 1.00 0.00 H new ATOM 0 HE2 PHE A 872 -9.857 -14.704 -11.781 1.00 0.00 H new ATOM 0 HZ PHE A 872 -11.713 -14.286 -13.383 1.00 0.00 H new ATOM 337 N LYS A 873 -12.082 -9.902 -9.968 1.00 0.00 N ATOM 338 CA LYS A 873 -13.509 -9.761 -10.294 1.00 0.00 C ATOM 339 C LYS A 873 -13.974 -8.306 -10.367 1.00 0.00 C ATOM 340 O LYS A 873 -13.686 -7.503 -9.479 1.00 0.00 O ATOM 341 CB LYS A 873 -14.318 -10.501 -9.218 1.00 0.00 C ATOM 342 CG LYS A 873 -15.320 -11.527 -9.743 1.00 0.00 C ATOM 343 CD LYS A 873 -16.664 -10.875 -10.049 1.00 0.00 C ATOM 344 CE LYS A 873 -17.441 -10.596 -8.759 1.00 0.00 C ATOM 345 NZ LYS A 873 -18.099 -11.813 -8.232 1.00 0.00 N1+ ATOM 0 H LYS A 873 -11.911 -10.693 -9.347 1.00 0.00 H new ATOM 0 HA LYS A 873 -13.667 -10.185 -11.286 1.00 0.00 H new ATOM 0 HB2 LYS A 873 -13.623 -11.007 -8.548 1.00 0.00 H new ATOM 0 HB3 LYS A 873 -14.856 -9.765 -8.621 1.00 0.00 H new ATOM 0 HG2 LYS A 873 -14.926 -11.996 -10.645 1.00 0.00 H new ATOM 0 HG3 LYS A 873 -15.456 -12.318 -9.005 1.00 0.00 H new ATOM 0 HD2 LYS A 873 -16.506 -9.943 -10.592 1.00 0.00 H new ATOM 0 HD3 LYS A 873 -17.250 -11.526 -10.698 1.00 0.00 H new ATOM 0 HE2 LYS A 873 -16.762 -10.197 -8.006 1.00 0.00 H new ATOM 0 HE3 LYS A 873 -18.193 -9.830 -8.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 873 -18.721 -11.556 -7.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 873 -18.663 -12.257 -8.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 873 -17.376 -12.483 -7.901 1.00 0.00 H new ATOM 359 N TRP A 874 -14.730 -7.990 -11.410 1.00 0.00 N ATOM 360 CA TRP A 874 -15.203 -6.636 -11.687 1.00 0.00 C ATOM 361 C TRP A 874 -16.675 -6.471 -11.295 1.00 0.00 C ATOM 362 O TRP A 874 -17.465 -7.406 -11.421 1.00 0.00 O ATOM 363 CB TRP A 874 -14.944 -6.306 -13.164 1.00 0.00 C ATOM 364 CG TRP A 874 -13.522 -6.492 -13.593 1.00 0.00 C ATOM 365 CD1 TRP A 874 -12.996 -7.601 -14.159 1.00 0.00 C ATOM 366 CD2 TRP A 874 -12.406 -5.564 -13.440 1.00 0.00 C ATOM 367 NE1 TRP A 874 -11.651 -7.407 -14.406 1.00 0.00 N ATOM 368 CE2 TRP A 874 -11.243 -6.161 -14.009 1.00 0.00 C ATOM 369 CE3 TRP A 874 -12.263 -4.272 -12.894 1.00 0.00 C ATOM 370 CZ2 TRP A 874 -10.008 -5.510 -14.066 1.00 0.00 C ATOM 371 CZ3 TRP A 874 -11.013 -3.631 -12.934 1.00 0.00 C ATOM 372 CH2 TRP A 874 -9.904 -4.224 -13.532 1.00 0.00 C ATOM 0 H TRP A 874 -15.038 -8.676 -12.099 1.00 0.00 H new ATOM 0 HA TRP A 874 -14.650 -5.922 -11.077 1.00 0.00 H new ATOM 0 HB2 TRP A 874 -15.584 -6.935 -13.783 1.00 0.00 H new ATOM 0 HB3 TRP A 874 -15.236 -5.273 -13.351 1.00 0.00 H new ATOM 0 HD1 TRP A 874 -13.545 -8.503 -14.384 1.00 0.00 H new ATOM 0 HE1 TRP A 874 -11.039 -8.104 -14.830 1.00 0.00 H new ATOM 0 HE3 TRP A 874 -13.112 -3.776 -12.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 874 -9.151 -5.992 -14.514 1.00 0.00 H new ATOM 0 HZ3 TRP A 874 -10.910 -2.652 -12.489 1.00 0.00 H new ATOM 0 HH2 TRP A 874 -8.966 -3.691 -13.583 1.00 0.00 H new ATOM 383 N ARG A 875 -17.062 -5.270 -10.860 1.00 0.00 N ATOM 384 CA ARG A 875 -18.458 -4.867 -10.583 1.00 0.00 C ATOM 385 C ARG A 875 -18.671 -3.401 -10.955 1.00 0.00 C ATOM 386 O ARG A 875 -17.810 -2.575 -10.655 1.00 0.00 O ATOM 387 CB ARG A 875 -18.800 -5.080 -9.093 1.00 0.00 C ATOM 388 CG ARG A 875 -18.963 -6.549 -8.659 1.00 0.00 C ATOM 389 CD ARG A 875 -20.077 -7.325 -9.380 1.00 0.00 C ATOM 390 NE ARG A 875 -21.389 -6.638 -9.341 1.00 0.00 N ATOM 391 CZ ARG A 875 -22.352 -6.762 -10.239 1.00 0.00 C ATOM 392 NH1 ARG A 875 -22.329 -7.689 -11.148 1.00 0.00 N1+ ATOM 393 NH2 ARG A 875 -23.363 -5.954 -10.249 1.00 0.00 N ATOM 0 H ARG A 875 -16.395 -4.519 -10.682 1.00 0.00 H new ATOM 0 HA ARG A 875 -19.118 -5.489 -11.188 1.00 0.00 H new ATOM 0 HB2 ARG A 875 -18.016 -4.625 -8.488 1.00 0.00 H new ATOM 0 HB3 ARG A 875 -19.724 -4.548 -8.870 1.00 0.00 H new ATOM 0 HG2 ARG A 875 -18.018 -7.066 -8.822 1.00 0.00 H new ATOM 0 HG3 ARG A 875 -19.159 -6.575 -7.587 1.00 0.00 H new ATOM 0 HD2 ARG A 875 -19.787 -7.482 -10.419 1.00 0.00 H new ATOM 0 HD3 ARG A 875 -20.177 -8.310 -8.925 1.00 0.00 H new ATOM 0 HE ARG A 875 -21.565 -6.015 -8.553 1.00 0.00 H new ATOM 0 HH11 ARG A 875 -21.552 -8.349 -11.184 1.00 0.00 H new ATOM 0 HH12 ARG A 875 -23.088 -7.757 -11.826 1.00 0.00 H new ATOM 0 HH21 ARG A 875 -23.426 -5.207 -9.557 1.00 0.00 H new ATOM 0 HH22 ARG A 875 -24.097 -6.064 -10.949 1.00 0.00 H new ATOM 407 N ARG A 876 -19.799 -3.077 -11.600 1.00 0.00 N ATOM 408 CA ARG A 876 -20.202 -1.697 -11.933 1.00 0.00 C ATOM 409 C ARG A 876 -20.942 -1.077 -10.744 1.00 0.00 C ATOM 410 O ARG A 876 -21.971 -1.585 -10.301 1.00 0.00 O ATOM 411 CB ARG A 876 -20.993 -1.664 -13.261 1.00 0.00 C ATOM 412 CG ARG A 876 -20.534 -0.522 -14.187 1.00 0.00 C ATOM 413 CD ARG A 876 -20.966 0.880 -13.745 1.00 0.00 C ATOM 414 NE ARG A 876 -22.362 1.167 -14.139 1.00 0.00 N ATOM 415 CZ ARG A 876 -22.771 1.947 -15.128 1.00 0.00 C ATOM 416 NH1 ARG A 876 -21.973 2.742 -15.779 1.00 0.00 N1+ ATOM 417 NH2 ARG A 876 -24.021 1.955 -15.489 1.00 0.00 N ATOM 0 H ARG A 876 -20.472 -3.777 -11.912 1.00 0.00 H new ATOM 0 HA ARG A 876 -19.323 -1.077 -12.107 1.00 0.00 H new ATOM 0 HB2 ARG A 876 -20.873 -2.617 -13.776 1.00 0.00 H new ATOM 0 HB3 ARG A 876 -22.055 -1.549 -13.046 1.00 0.00 H new ATOM 0 HG2 ARG A 876 -19.447 -0.546 -14.258 1.00 0.00 H new ATOM 0 HG3 ARG A 876 -20.923 -0.707 -15.188 1.00 0.00 H new ATOM 0 HD2 ARG A 876 -20.867 0.968 -12.663 1.00 0.00 H new ATOM 0 HD3 ARG A 876 -20.302 1.623 -14.187 1.00 0.00 H new ATOM 0 HE ARG A 876 -23.091 0.714 -13.588 1.00 0.00 H new ATOM 0 HH11 ARG A 876 -20.984 2.784 -15.535 1.00 0.00 H new ATOM 0 HH12 ARG A 876 -22.337 3.324 -16.534 1.00 0.00 H new ATOM 0 HH21 ARG A 876 -24.694 1.358 -15.009 1.00 0.00 H new ATOM 0 HH22 ARG A 876 -24.328 2.559 -16.252 1.00 0.00 H new ATOM 431 N ILE A 877 -20.380 0.009 -10.226 1.00 0.00 N ATOM 432 CA ILE A 877 -20.782 0.738 -9.016 1.00 0.00 C ATOM 433 C ILE A 877 -21.117 2.200 -9.353 1.00 0.00 C ATOM 434 O ILE A 877 -20.628 2.733 -10.354 1.00 0.00 O ATOM 435 CB ILE A 877 -19.660 0.653 -7.949 1.00 0.00 C ATOM 436 CG1 ILE A 877 -18.393 1.437 -8.370 1.00 0.00 C ATOM 437 CG2 ILE A 877 -19.350 -0.820 -7.634 1.00 0.00 C ATOM 438 CD1 ILE A 877 -17.269 1.423 -7.335 1.00 0.00 C ATOM 0 H ILE A 877 -19.569 0.440 -10.670 1.00 0.00 H new ATOM 0 HA ILE A 877 -21.681 0.277 -8.607 1.00 0.00 H new ATOM 0 HB ILE A 877 -20.018 1.132 -7.037 1.00 0.00 H new ATOM 0 HG12 ILE A 877 -18.016 1.020 -9.304 1.00 0.00 H new ATOM 0 HG13 ILE A 877 -18.671 2.471 -8.572 1.00 0.00 H new ATOM 0 HG21 ILE A 877 -18.561 -0.873 -6.884 1.00 0.00 H new ATOM 0 HG22 ILE A 877 -20.247 -1.307 -7.252 1.00 0.00 H new ATOM 0 HG23 ILE A 877 -19.022 -1.325 -8.542 1.00 0.00 H new ATOM 0 HD11 ILE A 877 -16.421 1.995 -7.711 1.00 0.00 H new ATOM 0 HD12 ILE A 877 -17.624 1.869 -6.406 1.00 0.00 H new ATOM 0 HD13 ILE A 877 -16.959 0.395 -7.149 1.00 0.00 H new ATOM 450 N PRO A 878 -21.905 2.903 -8.522 1.00 0.00 N ATOM 451 CA PRO A 878 -22.063 4.339 -8.681 1.00 0.00 C ATOM 452 C PRO A 878 -20.770 5.094 -8.354 1.00 0.00 C ATOM 453 O PRO A 878 -20.000 4.729 -7.460 1.00 0.00 O ATOM 454 CB PRO A 878 -23.223 4.728 -7.760 1.00 0.00 C ATOM 455 CG PRO A 878 -23.148 3.680 -6.649 1.00 0.00 C ATOM 456 CD PRO A 878 -22.677 2.424 -7.383 1.00 0.00 C ATOM 0 HA PRO A 878 -22.281 4.609 -9.714 1.00 0.00 H new ATOM 0 HB2 PRO A 878 -23.106 5.739 -7.369 1.00 0.00 H new ATOM 0 HB3 PRO A 878 -24.180 4.696 -8.281 1.00 0.00 H new ATOM 0 HG2 PRO A 878 -22.450 3.974 -5.865 1.00 0.00 H new ATOM 0 HG3 PRO A 878 -24.117 3.528 -6.173 1.00 0.00 H new ATOM 0 HD2 PRO A 878 -22.068 1.795 -6.733 1.00 0.00 H new ATOM 0 HD3 PRO A 878 -23.524 1.820 -7.709 1.00 0.00 H new ATOM 464 N ALA A 879 -20.575 6.207 -9.058 1.00 0.00 N ATOM 465 CA ALA A 879 -19.471 7.154 -8.883 1.00 0.00 C ATOM 466 C ALA A 879 -19.226 7.594 -7.425 1.00 0.00 C ATOM 467 O ALA A 879 -18.084 7.822 -7.024 1.00 0.00 O ATOM 468 CB ALA A 879 -19.830 8.374 -9.734 1.00 0.00 C ATOM 0 H ALA A 879 -21.213 6.489 -9.803 1.00 0.00 H new ATOM 0 HA ALA A 879 -18.544 6.666 -9.184 1.00 0.00 H new ATOM 0 HB1 ALA A 879 -19.043 9.123 -9.647 1.00 0.00 H new ATOM 0 HB2 ALA A 879 -19.931 8.073 -10.777 1.00 0.00 H new ATOM 0 HB3 ALA A 879 -20.772 8.796 -9.385 1.00 0.00 H new ATOM 474 N SER A 880 -20.283 7.646 -6.610 1.00 0.00 N ATOM 475 CA SER A 880 -20.231 7.981 -5.180 1.00 0.00 C ATOM 476 C SER A 880 -19.323 7.038 -4.380 1.00 0.00 C ATOM 477 O SER A 880 -18.745 7.453 -3.374 1.00 0.00 O ATOM 478 CB SER A 880 -21.646 7.922 -4.585 1.00 0.00 C ATOM 479 OG SER A 880 -22.557 8.698 -5.351 1.00 0.00 O ATOM 0 H SER A 880 -21.230 7.450 -6.935 1.00 0.00 H new ATOM 0 HA SER A 880 -19.815 8.986 -5.107 1.00 0.00 H new ATOM 0 HB2 SER A 880 -21.986 6.887 -4.550 1.00 0.00 H new ATOM 0 HB3 SER A 880 -21.627 8.287 -3.558 1.00 0.00 H new ATOM 0 HG SER A 880 -23.450 8.642 -4.952 1.00 0.00 H new ATOM 485 N VAL A 881 -19.156 5.787 -4.837 1.00 0.00 N ATOM 486 CA VAL A 881 -18.209 4.821 -4.254 1.00 0.00 C ATOM 487 C VAL A 881 -16.901 4.770 -5.028 1.00 0.00 C ATOM 488 O VAL A 881 -15.861 4.589 -4.402 1.00 0.00 O ATOM 489 CB VAL A 881 -18.813 3.410 -4.101 1.00 0.00 C ATOM 490 CG1 VAL A 881 -17.972 2.498 -3.200 1.00 0.00 C ATOM 491 CG2 VAL A 881 -20.210 3.457 -3.465 1.00 0.00 C ATOM 0 H VAL A 881 -19.679 5.413 -5.629 1.00 0.00 H new ATOM 0 HA VAL A 881 -17.992 5.186 -3.250 1.00 0.00 H new ATOM 0 HB VAL A 881 -18.847 3.016 -5.117 1.00 0.00 H new ATOM 0 HG11 VAL A 881 -18.446 1.519 -3.130 1.00 0.00 H new ATOM 0 HG12 VAL A 881 -16.974 2.388 -3.624 1.00 0.00 H new ATOM 0 HG13 VAL A 881 -17.898 2.938 -2.205 1.00 0.00 H new ATOM 0 HG21 VAL A 881 -20.603 2.444 -3.374 1.00 0.00 H new ATOM 0 HG22 VAL A 881 -20.145 3.911 -2.476 1.00 0.00 H new ATOM 0 HG23 VAL A 881 -20.876 4.049 -4.093 1.00 0.00 H new ATOM 501 N VAL A 882 -16.888 5.012 -6.346 1.00 0.00 N ATOM 502 CA VAL A 882 -15.615 4.996 -7.106 1.00 0.00 C ATOM 503 C VAL A 882 -14.641 6.099 -6.652 1.00 0.00 C ATOM 504 O VAL A 882 -13.425 5.922 -6.731 1.00 0.00 O ATOM 505 CB VAL A 882 -15.823 4.970 -8.638 1.00 0.00 C ATOM 506 CG1 VAL A 882 -15.779 6.350 -9.304 1.00 0.00 C ATOM 507 CG2 VAL A 882 -14.738 4.111 -9.299 1.00 0.00 C ATOM 0 H VAL A 882 -17.718 5.217 -6.903 1.00 0.00 H new ATOM 0 HA VAL A 882 -15.134 4.049 -6.861 1.00 0.00 H new ATOM 0 HB VAL A 882 -16.823 4.560 -8.782 1.00 0.00 H new ATOM 0 HG11 VAL A 882 -15.933 6.241 -10.377 1.00 0.00 H new ATOM 0 HG12 VAL A 882 -16.564 6.981 -8.887 1.00 0.00 H new ATOM 0 HG13 VAL A 882 -14.808 6.811 -9.122 1.00 0.00 H new ATOM 0 HG21 VAL A 882 -14.892 4.098 -10.378 1.00 0.00 H new ATOM 0 HG22 VAL A 882 -13.757 4.530 -9.077 1.00 0.00 H new ATOM 0 HG23 VAL A 882 -14.794 3.093 -8.912 1.00 0.00 H new ATOM 517 N GLY A 883 -15.174 7.199 -6.101 1.00 0.00 N ATOM 518 CA GLY A 883 -14.398 8.260 -5.443 1.00 0.00 C ATOM 519 C GLY A 883 -14.042 7.987 -3.970 1.00 0.00 C ATOM 520 O GLY A 883 -13.162 8.651 -3.419 1.00 0.00 O ATOM 0 H GLY A 883 -16.178 7.380 -6.100 1.00 0.00 H new ATOM 0 HA2 GLY A 883 -13.475 8.414 -6.002 1.00 0.00 H new ATOM 0 HA3 GLY A 883 -14.963 9.190 -5.498 1.00 0.00 H new ATOM 524 N SER A 884 -14.709 7.021 -3.327 1.00 0.00 N ATOM 525 CA SER A 884 -14.440 6.565 -1.949 1.00 0.00 C ATOM 526 C SER A 884 -13.415 5.418 -1.903 1.00 0.00 C ATOM 527 O SER A 884 -12.530 5.396 -1.043 1.00 0.00 O ATOM 528 CB SER A 884 -15.760 6.139 -1.293 1.00 0.00 C ATOM 529 OG SER A 884 -15.563 5.795 0.067 1.00 0.00 O ATOM 0 H SER A 884 -15.479 6.514 -3.764 1.00 0.00 H new ATOM 0 HA SER A 884 -14.002 7.396 -1.395 1.00 0.00 H new ATOM 0 HB2 SER A 884 -16.485 6.950 -1.365 1.00 0.00 H new ATOM 0 HB3 SER A 884 -16.179 5.288 -1.830 1.00 0.00 H new ATOM 0 HG SER A 884 -16.418 5.528 0.464 1.00 0.00 H new ATOM 535 N ILE A 885 -13.486 4.499 -2.875 1.00 0.00 N ATOM 536 CA ILE A 885 -12.452 3.503 -3.180 1.00 0.00 C ATOM 537 C ILE A 885 -11.132 4.205 -3.532 1.00 0.00 C ATOM 538 O ILE A 885 -11.098 5.274 -4.146 1.00 0.00 O ATOM 539 CB ILE A 885 -12.940 2.583 -4.318 1.00 0.00 C ATOM 540 CG1 ILE A 885 -13.952 1.527 -3.820 1.00 0.00 C ATOM 541 CG2 ILE A 885 -11.829 1.808 -5.040 1.00 0.00 C ATOM 542 CD1 ILE A 885 -14.937 1.265 -4.953 1.00 0.00 C ATOM 0 H ILE A 885 -14.295 4.427 -3.493 1.00 0.00 H new ATOM 0 HA ILE A 885 -12.266 2.881 -2.304 1.00 0.00 H new ATOM 0 HB ILE A 885 -13.396 3.284 -5.017 1.00 0.00 H new ATOM 0 HG12 ILE A 885 -13.439 0.608 -3.538 1.00 0.00 H new ATOM 0 HG13 ILE A 885 -14.475 1.885 -2.933 1.00 0.00 H new ATOM 0 HG21 ILE A 885 -12.267 1.189 -5.823 1.00 0.00 H new ATOM 0 HG22 ILE A 885 -11.125 2.511 -5.485 1.00 0.00 H new ATOM 0 HG23 ILE A 885 -11.305 1.173 -4.326 1.00 0.00 H new ATOM 0 HD11 ILE A 885 -15.668 0.522 -4.635 1.00 0.00 H new ATOM 0 HD12 ILE A 885 -15.450 2.192 -5.211 1.00 0.00 H new ATOM 0 HD13 ILE A 885 -14.398 0.894 -5.825 1.00 0.00 H new ATOM 603 N ARG A 890 -9.766 -1.024 0.516 1.00 0.00 N ATOM 604 CA ARG A 890 -9.639 -2.376 -0.054 1.00 0.00 C ATOM 605 C ARG A 890 -11.013 -2.906 -0.463 1.00 0.00 C ATOM 606 O ARG A 890 -11.789 -3.360 0.382 1.00 0.00 O ATOM 607 CB ARG A 890 -8.921 -3.303 0.941 1.00 0.00 C ATOM 608 CG ARG A 890 -8.553 -4.656 0.308 1.00 0.00 C ATOM 609 CD ARG A 890 -7.864 -5.600 1.303 1.00 0.00 C ATOM 610 NE ARG A 890 -6.531 -5.107 1.709 1.00 0.00 N ATOM 611 CZ ARG A 890 -5.732 -5.647 2.613 1.00 0.00 C ATOM 612 NH1 ARG A 890 -6.055 -6.727 3.267 1.00 0.00 N1+ ATOM 613 NH2 ARG A 890 -4.578 -5.106 2.878 1.00 0.00 N ATOM 0 HA ARG A 890 -9.029 -2.339 -0.956 1.00 0.00 H new ATOM 0 HB2 ARG A 890 -8.016 -2.815 1.303 1.00 0.00 H new ATOM 0 HB3 ARG A 890 -9.561 -3.470 1.807 1.00 0.00 H new ATOM 0 HG2 ARG A 890 -9.456 -5.132 -0.075 1.00 0.00 H new ATOM 0 HG3 ARG A 890 -7.895 -4.488 -0.545 1.00 0.00 H new ATOM 0 HD2 ARG A 890 -8.492 -5.715 2.187 1.00 0.00 H new ATOM 0 HD3 ARG A 890 -7.763 -6.588 0.854 1.00 0.00 H new ATOM 0 HE ARG A 890 -6.193 -4.264 1.244 1.00 0.00 H new ATOM 0 HH11 ARG A 890 -6.949 -7.183 3.088 1.00 0.00 H new ATOM 0 HH12 ARG A 890 -5.413 -7.116 3.958 1.00 0.00 H new ATOM 0 HH21 ARG A 890 -4.286 -4.261 2.387 1.00 0.00 H new ATOM 0 HH22 ARG A 890 -3.966 -5.527 3.577 1.00 0.00 H new ATOM 627 N TRP A 891 -11.325 -2.826 -1.752 1.00 0.00 N ATOM 628 CA TRP A 891 -12.574 -3.345 -2.309 1.00 0.00 C ATOM 629 C TRP A 891 -12.423 -4.819 -2.711 1.00 0.00 C ATOM 630 O TRP A 891 -11.500 -5.158 -3.452 1.00 0.00 O ATOM 631 CB TRP A 891 -13.018 -2.514 -3.505 1.00 0.00 C ATOM 632 CG TRP A 891 -14.486 -2.638 -3.767 1.00 0.00 C ATOM 633 CD1 TRP A 891 -15.406 -1.758 -3.316 1.00 0.00 C ATOM 634 CD2 TRP A 891 -15.235 -3.687 -4.461 1.00 0.00 C ATOM 635 NE1 TRP A 891 -16.665 -2.162 -3.702 1.00 0.00 N ATOM 636 CE2 TRP A 891 -16.624 -3.358 -4.383 1.00 0.00 C ATOM 637 CE3 TRP A 891 -14.896 -4.879 -5.144 1.00 0.00 C ATOM 638 CZ2 TRP A 891 -17.626 -4.174 -4.921 1.00 0.00 C ATOM 639 CZ3 TRP A 891 -15.899 -5.710 -5.686 1.00 0.00 C ATOM 640 CH2 TRP A 891 -17.253 -5.366 -5.555 1.00 0.00 C ATOM 0 H TRP A 891 -10.715 -2.396 -2.447 1.00 0.00 H new ATOM 0 HA TRP A 891 -13.340 -3.276 -1.536 1.00 0.00 H new ATOM 0 HB2 TRP A 891 -12.769 -1.467 -3.330 1.00 0.00 H new ATOM 0 HB3 TRP A 891 -12.465 -2.830 -4.390 1.00 0.00 H new ATOM 0 HD1 TRP A 891 -15.187 -0.871 -2.740 1.00 0.00 H new ATOM 0 HE1 TRP A 891 -17.520 -1.641 -3.508 1.00 0.00 H new ATOM 0 HE3 TRP A 891 -13.858 -5.156 -5.252 1.00 0.00 H new ATOM 0 HZ2 TRP A 891 -18.666 -3.890 -4.849 1.00 0.00 H new ATOM 0 HZ3 TRP A 891 -15.623 -6.616 -6.205 1.00 0.00 H new ATOM 0 HH2 TRP A 891 -18.014 -6.026 -5.946 1.00 0.00 H new ATOM 651 N ILE A 892 -13.327 -5.695 -2.267 1.00 0.00 N ATOM 652 CA ILE A 892 -13.350 -7.119 -2.647 1.00 0.00 C ATOM 653 C ILE A 892 -14.780 -7.633 -2.857 1.00 0.00 C ATOM 654 O ILE A 892 -15.734 -7.044 -2.338 1.00 0.00 O ATOM 655 CB ILE A 892 -12.609 -7.985 -1.602 1.00 0.00 C ATOM 656 CG1 ILE A 892 -13.332 -7.974 -0.239 1.00 0.00 C ATOM 657 CG2 ILE A 892 -11.136 -7.572 -1.446 1.00 0.00 C ATOM 658 CD1 ILE A 892 -12.928 -9.147 0.654 1.00 0.00 C ATOM 0 H ILE A 892 -14.076 -5.437 -1.624 1.00 0.00 H new ATOM 0 HA ILE A 892 -12.827 -7.204 -3.600 1.00 0.00 H new ATOM 0 HB ILE A 892 -12.621 -9.007 -1.980 1.00 0.00 H new ATOM 0 HG12 ILE A 892 -13.113 -7.039 0.276 1.00 0.00 H new ATOM 0 HG13 ILE A 892 -14.409 -8.003 -0.404 1.00 0.00 H new ATOM 0 HG21 ILE A 892 -10.657 -8.208 -0.702 1.00 0.00 H new ATOM 0 HG22 ILE A 892 -10.624 -7.683 -2.402 1.00 0.00 H new ATOM 0 HG23 ILE A 892 -11.082 -6.532 -1.124 1.00 0.00 H new ATOM 0 HD11 ILE A 892 -13.468 -9.088 1.599 1.00 0.00 H new ATOM 0 HD12 ILE A 892 -13.172 -10.085 0.155 1.00 0.00 H new ATOM 0 HD13 ILE A 892 -11.856 -9.106 0.845 1.00 0.00 H new ATOM 670 N CYS A 893 -14.928 -8.783 -3.520 1.00 0.00 N ATOM 671 CA CYS A 893 -16.207 -9.460 -3.687 1.00 0.00 C ATOM 672 C CYS A 893 -16.993 -9.619 -2.360 1.00 0.00 C ATOM 673 O CYS A 893 -18.189 -9.340 -2.338 1.00 0.00 O ATOM 674 CB CYS A 893 -16.000 -10.818 -4.371 1.00 0.00 C ATOM 675 SG CYS A 893 -15.126 -10.723 -5.970 1.00 0.00 S ATOM 0 H CYS A 893 -14.149 -9.273 -3.960 1.00 0.00 H new ATOM 0 HA CYS A 893 -16.822 -8.825 -4.325 1.00 0.00 H new ATOM 0 HB2 CYS A 893 -15.438 -11.468 -3.700 1.00 0.00 H new ATOM 0 HB3 CYS A 893 -16.972 -11.285 -4.528 1.00 0.00 H new ATOM 0 HG CYS A 893 -13.970 -10.153 -5.800 1.00 0.00 H new ATOM 680 N MET A 894 -16.356 -10.038 -1.253 1.00 0.00 N ATOM 681 CA MET A 894 -17.080 -10.288 0.011 1.00 0.00 C ATOM 682 C MET A 894 -17.698 -9.007 0.615 1.00 0.00 C ATOM 683 O MET A 894 -18.630 -9.082 1.417 1.00 0.00 O ATOM 684 CB MET A 894 -16.154 -10.950 1.045 1.00 0.00 C ATOM 685 CG MET A 894 -15.570 -12.300 0.596 1.00 0.00 C ATOM 686 SD MET A 894 -16.221 -13.754 1.467 1.00 0.00 S ATOM 687 CE MET A 894 -17.961 -13.684 0.962 1.00 0.00 C ATOM 0 H MET A 894 -15.352 -10.210 -1.205 1.00 0.00 H new ATOM 0 HA MET A 894 -17.901 -10.961 -0.236 1.00 0.00 H new ATOM 0 HB2 MET A 894 -15.333 -10.269 1.270 1.00 0.00 H new ATOM 0 HB3 MET A 894 -16.709 -11.097 1.971 1.00 0.00 H new ATOM 0 HG2 MET A 894 -15.758 -12.422 -0.471 1.00 0.00 H new ATOM 0 HG3 MET A 894 -14.488 -12.272 0.728 1.00 0.00 H new ATOM 0 HE1 MET A 894 -18.505 -14.514 1.414 1.00 0.00 H new ATOM 0 HE2 MET A 894 -18.398 -12.741 1.292 1.00 0.00 H new ATOM 0 HE3 MET A 894 -18.028 -13.755 -0.124 1.00 0.00 H new ATOM 697 N ASN A 895 -17.189 -7.832 0.222 1.00 0.00 N ATOM 698 CA ASN A 895 -17.683 -6.504 0.609 1.00 0.00 C ATOM 699 C ASN A 895 -18.785 -5.963 -0.333 1.00 0.00 C ATOM 700 O ASN A 895 -19.430 -4.963 -0.009 1.00 0.00 O ATOM 701 CB ASN A 895 -16.455 -5.566 0.740 1.00 0.00 C ATOM 702 CG ASN A 895 -16.479 -4.308 -0.119 1.00 0.00 C ATOM 703 OD1 ASN A 895 -16.614 -3.193 0.363 1.00 0.00 O ATOM 704 ND2 ASN A 895 -16.331 -4.447 -1.416 1.00 0.00 N ATOM 0 H ASN A 895 -16.385 -7.779 -0.403 1.00 0.00 H new ATOM 0 HA ASN A 895 -18.191 -6.565 1.571 1.00 0.00 H new ATOM 0 HB2 ASN A 895 -16.361 -5.267 1.784 1.00 0.00 H new ATOM 0 HB3 ASN A 895 -15.560 -6.135 0.490 1.00 0.00 H new ATOM 0 HD21 ASN A 895 -16.329 -3.625 -2.020 1.00 0.00 H new ATOM 0 HD22 ASN A 895 -16.218 -5.377 -1.820 1.00 0.00 H new ATOM 711 N ASN A 896 -18.987 -6.598 -1.495 1.00 0.00 N ATOM 712 CA ASN A 896 -19.893 -6.140 -2.554 1.00 0.00 C ATOM 713 C ASN A 896 -21.323 -5.888 -2.038 1.00 0.00 C ATOM 714 O ASN A 896 -21.923 -6.728 -1.362 1.00 0.00 O ATOM 715 CB ASN A 896 -19.888 -7.163 -3.709 1.00 0.00 C ATOM 716 CG ASN A 896 -20.711 -6.773 -4.925 1.00 0.00 C ATOM 717 OD1 ASN A 896 -21.172 -5.655 -5.089 1.00 0.00 O ATOM 718 ND2 ASN A 896 -20.946 -7.705 -5.816 1.00 0.00 N ATOM 0 H ASN A 896 -18.511 -7.469 -1.730 1.00 0.00 H new ATOM 0 HA ASN A 896 -19.529 -5.179 -2.919 1.00 0.00 H new ATOM 0 HB2 ASN A 896 -18.857 -7.325 -4.025 1.00 0.00 H new ATOM 0 HB3 ASN A 896 -20.258 -8.116 -3.330 1.00 0.00 H new ATOM 0 HD21 ASN A 896 -21.510 -7.493 -6.639 1.00 0.00 H new ATOM 0 HD22 ASN A 896 -20.564 -8.642 -5.687 1.00 0.00 H new ATOM 725 N SER A 897 -21.876 -4.740 -2.427 1.00 0.00 N ATOM 726 CA SER A 897 -23.281 -4.366 -2.205 1.00 0.00 C ATOM 727 C SER A 897 -24.276 -5.359 -2.816 1.00 0.00 C ATOM 728 O SER A 897 -25.322 -5.647 -2.231 1.00 0.00 O ATOM 729 CB SER A 897 -23.541 -3.007 -2.857 1.00 0.00 C ATOM 730 OG SER A 897 -23.074 -1.948 -2.034 1.00 0.00 O ATOM 0 H SER A 897 -21.347 -4.020 -2.920 1.00 0.00 H new ATOM 0 HA SER A 897 -23.432 -4.351 -1.126 1.00 0.00 H new ATOM 0 HB2 SER A 897 -23.045 -2.964 -3.827 1.00 0.00 H new ATOM 0 HB3 SER A 897 -24.609 -2.886 -3.040 1.00 0.00 H new ATOM 0 HG SER A 897 -23.250 -1.090 -2.474 1.00 0.00 H new ATOM 736 N ASP A 898 -23.957 -5.875 -4.002 1.00 0.00 N ATOM 737 CA ASP A 898 -24.823 -6.775 -4.769 1.00 0.00 C ATOM 738 C ASP A 898 -24.590 -8.236 -4.367 1.00 0.00 C ATOM 739 O ASP A 898 -23.709 -8.928 -4.881 1.00 0.00 O ATOM 740 CB ASP A 898 -24.648 -6.583 -6.282 1.00 0.00 C ATOM 741 CG ASP A 898 -24.631 -5.120 -6.770 1.00 0.00 C ATOM 742 OD1 ASP A 898 -23.844 -4.821 -7.701 1.00 0.00 O ATOM 743 OD2 ASP A 898 -25.428 -4.287 -6.275 1.00 0.00 O1- ATOM 0 H ASP A 898 -23.072 -5.676 -4.468 1.00 0.00 H new ATOM 0 HA ASP A 898 -25.854 -6.518 -4.528 1.00 0.00 H new ATOM 0 HB2 ASP A 898 -23.716 -7.059 -6.585 1.00 0.00 H new ATOM 0 HB3 ASP A 898 -25.455 -7.108 -6.793 1.00 0.00 H new ATOM 748 N LYS A 899 -25.437 -8.724 -3.461 1.00 0.00 N ATOM 749 CA LYS A 899 -25.371 -10.057 -2.828 1.00 0.00 C ATOM 750 C LYS A 899 -25.468 -11.224 -3.824 1.00 0.00 C ATOM 751 O LYS A 899 -25.071 -12.345 -3.505 1.00 0.00 O ATOM 752 CB LYS A 899 -26.473 -10.160 -1.756 1.00 0.00 C ATOM 753 CG LYS A 899 -26.338 -9.128 -0.623 1.00 0.00 C ATOM 754 CD LYS A 899 -25.370 -9.610 0.461 1.00 0.00 C ATOM 755 CE LYS A 899 -26.037 -10.662 1.357 1.00 0.00 C ATOM 756 NZ LYS A 899 -25.113 -11.151 2.414 1.00 0.00 N1+ ATOM 0 H LYS A 899 -26.231 -8.179 -3.126 1.00 0.00 H new ATOM 0 HA LYS A 899 -24.385 -10.149 -2.372 1.00 0.00 H new ATOM 0 HB2 LYS A 899 -27.444 -10.035 -2.234 1.00 0.00 H new ATOM 0 HB3 LYS A 899 -26.456 -11.162 -1.326 1.00 0.00 H new ATOM 0 HG2 LYS A 899 -25.986 -8.181 -1.032 1.00 0.00 H new ATOM 0 HG3 LYS A 899 -27.317 -8.940 -0.181 1.00 0.00 H new ATOM 0 HD2 LYS A 899 -24.479 -10.033 -0.003 1.00 0.00 H new ATOM 0 HD3 LYS A 899 -25.044 -8.764 1.066 1.00 0.00 H new ATOM 0 HE2 LYS A 899 -26.926 -10.234 1.820 1.00 0.00 H new ATOM 0 HE3 LYS A 899 -26.369 -11.502 0.747 1.00 0.00 H new ATOM 0 HZ1 LYS A 899 -25.599 -11.860 2.999 1.00 0.00 H new ATOM 0 HZ2 LYS A 899 -24.276 -11.582 1.971 1.00 0.00 H new ATOM 0 HZ3 LYS A 899 -24.816 -10.353 3.012 1.00 0.00 H new ATOM 770 N ARG A 900 -25.933 -10.944 -5.047 1.00 0.00 N ATOM 771 CA ARG A 900 -25.952 -11.856 -6.206 1.00 0.00 C ATOM 772 C ARG A 900 -24.554 -12.187 -6.744 1.00 0.00 C ATOM 773 O ARG A 900 -24.379 -13.226 -7.377 1.00 0.00 O ATOM 774 CB ARG A 900 -26.782 -11.201 -7.321 1.00 0.00 C ATOM 775 CG ARG A 900 -28.293 -11.260 -7.046 1.00 0.00 C ATOM 776 CD ARG A 900 -29.104 -10.563 -8.150 1.00 0.00 C ATOM 777 NE ARG A 900 -28.958 -11.225 -9.464 1.00 0.00 N ATOM 778 CZ ARG A 900 -29.641 -12.261 -9.923 1.00 0.00 C ATOM 779 NH1 ARG A 900 -30.572 -12.848 -9.223 1.00 0.00 N1+ ATOM 780 NH2 ARG A 900 -29.397 -12.735 -11.110 1.00 0.00 N ATOM 0 H ARG A 900 -26.327 -10.030 -5.271 1.00 0.00 H new ATOM 0 HA ARG A 900 -26.389 -12.798 -5.876 1.00 0.00 H new ATOM 0 HB2 ARG A 900 -26.477 -10.160 -7.432 1.00 0.00 H new ATOM 0 HB3 ARG A 900 -26.569 -11.698 -8.267 1.00 0.00 H new ATOM 0 HG2 ARG A 900 -28.607 -12.301 -6.967 1.00 0.00 H new ATOM 0 HG3 ARG A 900 -28.506 -10.789 -6.086 1.00 0.00 H new ATOM 0 HD2 ARG A 900 -30.157 -10.549 -7.869 1.00 0.00 H new ATOM 0 HD3 ARG A 900 -28.782 -9.525 -8.232 1.00 0.00 H new ATOM 0 HE ARG A 900 -28.250 -10.839 -10.088 1.00 0.00 H new ATOM 0 HH11 ARG A 900 -30.795 -12.511 -8.287 1.00 0.00 H new ATOM 0 HH12 ARG A 900 -31.077 -13.644 -9.612 1.00 0.00 H new ATOM 0 HH21 ARG A 900 -28.676 -12.308 -11.692 1.00 0.00 H new ATOM 0 HH22 ARG A 900 -29.927 -13.534 -11.459 1.00 0.00 H new ATOM 794 N PHE A 901 -23.571 -11.321 -6.493 1.00 0.00 N ATOM 795 CA PHE A 901 -22.209 -11.396 -7.045 1.00 0.00 C ATOM 796 C PHE A 901 -21.111 -11.199 -5.979 1.00 0.00 C ATOM 797 O PHE A 901 -19.958 -10.929 -6.310 1.00 0.00 O ATOM 798 CB PHE A 901 -22.055 -10.369 -8.190 1.00 0.00 C ATOM 799 CG PHE A 901 -23.187 -10.270 -9.203 1.00 0.00 C ATOM 800 CD1 PHE A 901 -23.122 -10.948 -10.434 1.00 0.00 C ATOM 801 CD2 PHE A 901 -24.287 -9.431 -8.940 1.00 0.00 C ATOM 802 CE1 PHE A 901 -24.167 -10.833 -11.367 1.00 0.00 C ATOM 803 CE2 PHE A 901 -25.330 -9.306 -9.874 1.00 0.00 C ATOM 804 CZ PHE A 901 -25.276 -10.019 -11.083 1.00 0.00 C ATOM 0 H PHE A 901 -23.702 -10.518 -5.878 1.00 0.00 H new ATOM 0 HA PHE A 901 -22.072 -12.405 -7.434 1.00 0.00 H new ATOM 0 HB2 PHE A 901 -21.917 -9.385 -7.743 1.00 0.00 H new ATOM 0 HB3 PHE A 901 -21.139 -10.604 -8.732 1.00 0.00 H new ATOM 0 HD1 PHE A 901 -22.263 -11.561 -10.664 1.00 0.00 H new ATOM 0 HD2 PHE A 901 -24.330 -8.879 -8.013 1.00 0.00 H new ATOM 0 HE1 PHE A 901 -24.117 -11.371 -12.302 1.00 0.00 H new ATOM 0 HE2 PHE A 901 -26.171 -8.663 -9.662 1.00 0.00 H new ATOM 0 HZ PHE A 901 -26.086 -9.941 -11.793 1.00 0.00 H new ATOM 814 N ALA A 902 -21.455 -11.287 -4.695 1.00 0.00 N ATOM 815 CA ALA A 902 -20.640 -10.886 -3.545 1.00 0.00 C ATOM 816 C ALA A 902 -19.727 -12.000 -2.997 1.00 0.00 C ATOM 817 O ALA A 902 -19.517 -12.136 -1.791 1.00 0.00 O ATOM 818 CB ALA A 902 -21.568 -10.259 -2.490 1.00 0.00 C ATOM 0 H ALA A 902 -22.361 -11.661 -4.411 1.00 0.00 H new ATOM 0 HA ALA A 902 -19.919 -10.137 -3.871 1.00 0.00 H new ATOM 0 HB1 ALA A 902 -20.980 -9.953 -1.624 1.00 0.00 H new ATOM 0 HB2 ALA A 902 -22.067 -9.389 -2.916 1.00 0.00 H new ATOM 0 HB3 ALA A 902 -22.315 -10.991 -2.181 1.00 0.00 H new ATOM 824 N ASP A 903 -19.161 -12.790 -3.907 1.00 0.00 N ATOM 825 CA ASP A 903 -18.151 -13.808 -3.633 1.00 0.00 C ATOM 826 C ASP A 903 -17.141 -13.884 -4.786 1.00 0.00 C ATOM 827 O ASP A 903 -17.514 -13.736 -5.955 1.00 0.00 O ATOM 828 CB ASP A 903 -18.796 -15.183 -3.416 1.00 0.00 C ATOM 829 CG ASP A 903 -19.911 -15.261 -2.352 1.00 0.00 C ATOM 830 OD1 ASP A 903 -19.618 -15.689 -1.210 1.00 0.00 O ATOM 831 OD2 ASP A 903 -21.095 -14.998 -2.674 1.00 0.00 O1- ATOM 0 H ASP A 903 -19.404 -12.735 -4.896 1.00 0.00 H new ATOM 0 HA ASP A 903 -17.630 -13.523 -2.719 1.00 0.00 H new ATOM 0 HB2 ASP A 903 -19.208 -15.520 -4.367 1.00 0.00 H new ATOM 0 HB3 ASP A 903 -18.012 -15.888 -3.140 1.00 0.00 H new ATOM 836 N CYS A 904 -15.883 -14.206 -4.467 1.00 0.00 N ATOM 837 CA CYS A 904 -14.833 -14.503 -5.440 1.00 0.00 C ATOM 838 C CYS A 904 -15.207 -15.698 -6.370 1.00 0.00 C ATOM 839 O CYS A 904 -14.610 -15.879 -7.434 1.00 0.00 O ATOM 840 CB CYS A 904 -13.527 -14.730 -4.644 1.00 0.00 C ATOM 841 SG CYS A 904 -12.979 -13.229 -3.747 1.00 0.00 S ATOM 0 H CYS A 904 -15.562 -14.268 -3.501 1.00 0.00 H new ATOM 0 HA CYS A 904 -14.700 -13.668 -6.127 1.00 0.00 H new ATOM 0 HB2 CYS A 904 -13.677 -15.541 -3.931 1.00 0.00 H new ATOM 0 HB3 CYS A 904 -12.740 -15.048 -5.328 1.00 0.00 H new ATOM 0 HG CYS A 904 -11.882 -13.487 -3.099 1.00 0.00 H new ATOM 846 N SER A 905 -16.188 -16.512 -5.954 1.00 0.00 N ATOM 847 CA SER A 905 -16.719 -17.668 -6.689 1.00 0.00 C ATOM 848 C SER A 905 -17.870 -17.300 -7.632 1.00 0.00 C ATOM 849 O SER A 905 -18.149 -18.045 -8.575 1.00 0.00 O ATOM 850 CB SER A 905 -17.225 -18.728 -5.703 1.00 0.00 C ATOM 851 OG SER A 905 -16.215 -19.107 -4.776 1.00 0.00 O ATOM 0 H SER A 905 -16.653 -16.376 -5.056 1.00 0.00 H new ATOM 0 HA SER A 905 -15.897 -18.052 -7.293 1.00 0.00 H new ATOM 0 HB2 SER A 905 -18.088 -18.340 -5.162 1.00 0.00 H new ATOM 0 HB3 SER A 905 -17.562 -19.606 -6.254 1.00 0.00 H new ATOM 0 HG SER A 905 -16.572 -19.782 -4.162 1.00 0.00 H new ATOM 857 N LYS A 906 -18.558 -16.172 -7.387 1.00 0.00 N ATOM 858 CA LYS A 906 -19.656 -15.689 -8.235 1.00 0.00 C ATOM 859 C LYS A 906 -19.177 -15.013 -9.527 1.00 0.00 C ATOM 860 O LYS A 906 -17.995 -14.733 -9.731 1.00 0.00 O ATOM 861 CB LYS A 906 -20.554 -14.719 -7.451 1.00 0.00 C ATOM 862 CG LYS A 906 -21.505 -15.289 -6.397 1.00 0.00 C ATOM 863 CD LYS A 906 -22.358 -16.467 -6.876 1.00 0.00 C ATOM 864 CE LYS A 906 -23.202 -16.172 -8.122 1.00 0.00 C ATOM 865 NZ LYS A 906 -24.100 -17.308 -8.458 1.00 0.00 N1+ ATOM 0 H LYS A 906 -18.365 -15.567 -6.589 1.00 0.00 H new ATOM 0 HA LYS A 906 -20.222 -16.574 -8.527 1.00 0.00 H new ATOM 0 HB2 LYS A 906 -19.906 -13.996 -6.955 1.00 0.00 H new ATOM 0 HB3 LYS A 906 -21.154 -14.166 -8.174 1.00 0.00 H new ATOM 0 HG2 LYS A 906 -20.920 -15.608 -5.534 1.00 0.00 H new ATOM 0 HG3 LYS A 906 -22.167 -14.493 -6.056 1.00 0.00 H new ATOM 0 HD2 LYS A 906 -21.703 -17.312 -7.087 1.00 0.00 H new ATOM 0 HD3 LYS A 906 -23.021 -16.773 -6.067 1.00 0.00 H new ATOM 0 HE2 LYS A 906 -23.797 -15.274 -7.954 1.00 0.00 H new ATOM 0 HE3 LYS A 906 -22.545 -15.965 -8.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 906 -24.655 -17.073 -9.305 1.00 0.00 H new ATOM 0 HZ2 LYS A 906 -23.530 -18.158 -8.642 1.00 0.00 H new ATOM 0 HZ3 LYS A 906 -24.744 -17.489 -7.662 1.00 0.00 H new ATOM 879 N SER A 907 -20.161 -14.704 -10.363 1.00 0.00 N ATOM 880 CA SER A 907 -20.065 -14.087 -11.682 1.00 0.00 C ATOM 881 C SER A 907 -19.960 -12.554 -11.617 1.00 0.00 C ATOM 882 O SER A 907 -19.784 -11.979 -10.539 1.00 0.00 O ATOM 883 CB SER A 907 -21.316 -14.543 -12.442 1.00 0.00 C ATOM 884 OG SER A 907 -22.486 -14.045 -11.812 1.00 0.00 O ATOM 0 H SER A 907 -21.132 -14.895 -10.114 1.00 0.00 H new ATOM 0 HA SER A 907 -19.151 -14.398 -12.188 1.00 0.00 H new ATOM 0 HB2 SER A 907 -21.272 -14.191 -13.472 1.00 0.00 H new ATOM 0 HB3 SER A 907 -21.350 -15.632 -12.479 1.00 0.00 H new ATOM 0 HG SER A 907 -22.563 -13.082 -11.978 1.00 0.00 H new ATOM 890 N GLN A 908 -20.085 -11.887 -12.769 1.00 0.00 N ATOM 891 CA GLN A 908 -20.213 -10.431 -12.925 1.00 0.00 C ATOM 892 C GLN A 908 -21.094 -10.076 -14.139 1.00 0.00 C ATOM 893 O GLN A 908 -21.426 -10.944 -14.948 1.00 0.00 O ATOM 894 CB GLN A 908 -18.822 -9.776 -13.000 1.00 0.00 C ATOM 895 CG GLN A 908 -18.035 -10.126 -14.268 1.00 0.00 C ATOM 896 CD GLN A 908 -16.518 -9.917 -14.186 1.00 0.00 C ATOM 897 OE1 GLN A 908 -15.860 -10.087 -13.167 1.00 0.00 O ATOM 898 NE2 GLN A 908 -15.900 -9.584 -15.295 1.00 0.00 N ATOM 0 H GLN A 908 -20.101 -12.372 -13.666 1.00 0.00 H new ATOM 0 HA GLN A 908 -20.717 -10.028 -12.047 1.00 0.00 H new ATOM 0 HB2 GLN A 908 -18.938 -8.694 -12.944 1.00 0.00 H new ATOM 0 HB3 GLN A 908 -18.241 -10.080 -12.129 1.00 0.00 H new ATOM 0 HG2 GLN A 908 -18.227 -11.170 -14.516 1.00 0.00 H new ATOM 0 HG3 GLN A 908 -18.422 -9.526 -15.091 1.00 0.00 H new ATOM 0 HE21 GLN A 908 -16.433 -9.439 -16.152 1.00 0.00 H new ATOM 0 HE22 GLN A 908 -14.886 -9.470 -15.300 1.00 0.00 H new ATOM 907 N GLU A 909 -21.458 -8.795 -14.274 1.00 0.00 N ATOM 908 CA GLU A 909 -22.354 -8.288 -15.336 1.00 0.00 C ATOM 909 C GLU A 909 -21.876 -8.626 -16.763 1.00 0.00 C ATOM 910 O GLU A 909 -22.703 -8.870 -17.646 1.00 0.00 O ATOM 911 CB GLU A 909 -22.505 -6.753 -15.196 1.00 0.00 C ATOM 912 CG GLU A 909 -23.944 -6.269 -14.955 1.00 0.00 C ATOM 913 CD GLU A 909 -24.409 -6.502 -13.505 1.00 0.00 C ATOM 914 OE1 GLU A 909 -24.734 -5.527 -12.787 1.00 0.00 O ATOM 915 OE2 GLU A 909 -24.416 -7.664 -13.044 1.00 0.00 O1- ATOM 0 H GLU A 909 -21.136 -8.064 -13.640 1.00 0.00 H new ATOM 0 HA GLU A 909 -23.312 -8.790 -15.199 1.00 0.00 H new ATOM 0 HB2 GLU A 909 -21.879 -6.414 -14.371 1.00 0.00 H new ATOM 0 HB3 GLU A 909 -22.124 -6.280 -16.101 1.00 0.00 H new ATOM 0 HG2 GLU A 909 -24.010 -5.206 -15.188 1.00 0.00 H new ATOM 0 HG3 GLU A 909 -24.618 -6.788 -15.637 1.00 0.00 H new ATOM 922 N MET A 910 -20.556 -8.661 -16.985 1.00 0.00 N ATOM 923 CA MET A 910 -19.917 -9.014 -18.268 1.00 0.00 C ATOM 924 C MET A 910 -18.522 -9.604 -18.047 1.00 0.00 C ATOM 925 O MET A 910 -17.740 -9.023 -17.295 1.00 0.00 O ATOM 926 CB MET A 910 -19.728 -7.772 -19.153 1.00 0.00 C ATOM 927 CG MET A 910 -21.007 -7.134 -19.693 1.00 0.00 C ATOM 928 SD MET A 910 -20.677 -5.730 -20.794 1.00 0.00 S ATOM 929 CE MET A 910 -22.374 -5.313 -21.278 1.00 0.00 C ATOM 0 H MET A 910 -19.878 -8.438 -16.256 1.00 0.00 H new ATOM 0 HA MET A 910 -20.575 -9.739 -18.747 1.00 0.00 H new ATOM 0 HB2 MET A 910 -19.185 -7.021 -18.580 1.00 0.00 H new ATOM 0 HB3 MET A 910 -19.097 -8.045 -19.999 1.00 0.00 H new ATOM 0 HG2 MET A 910 -21.584 -7.886 -20.232 1.00 0.00 H new ATOM 0 HG3 MET A 910 -21.622 -6.799 -18.858 1.00 0.00 H new ATOM 0 HE1 MET A 910 -22.359 -4.463 -21.961 1.00 0.00 H new ATOM 0 HE2 MET A 910 -22.832 -6.169 -21.774 1.00 0.00 H new ATOM 0 HE3 MET A 910 -22.953 -5.056 -20.391 1.00 0.00 H new ATOM 939 N SER A 911 -18.156 -10.688 -18.734 1.00 0.00 N ATOM 940 CA SER A 911 -16.782 -11.230 -18.688 1.00 0.00 C ATOM 941 C SER A 911 -15.779 -10.203 -19.212 1.00 0.00 C ATOM 942 O SER A 911 -16.140 -9.310 -19.979 1.00 0.00 O ATOM 943 CB SER A 911 -16.626 -12.532 -19.474 1.00 0.00 C ATOM 944 OG SER A 911 -17.733 -13.402 -19.276 1.00 0.00 O ATOM 0 H SER A 911 -18.790 -11.215 -19.334 1.00 0.00 H new ATOM 0 HA SER A 911 -16.580 -11.451 -17.640 1.00 0.00 H new ATOM 0 HB2 SER A 911 -16.526 -12.306 -20.536 1.00 0.00 H new ATOM 0 HB3 SER A 911 -15.709 -13.035 -19.167 1.00 0.00 H new ATOM 0 HG SER A 911 -17.601 -14.223 -19.794 1.00 0.00 H new ATOM 950 N ASN A 912 -14.521 -10.309 -18.783 1.00 0.00 N ATOM 951 CA ASN A 912 -13.549 -9.207 -18.878 1.00 0.00 C ATOM 952 C ASN A 912 -13.357 -8.727 -20.327 1.00 0.00 C ATOM 953 O ASN A 912 -13.244 -7.527 -20.574 1.00 0.00 O ATOM 954 CB ASN A 912 -12.189 -9.606 -18.260 1.00 0.00 C ATOM 955 CG ASN A 912 -12.211 -10.064 -16.808 1.00 0.00 C ATOM 956 OD1 ASN A 912 -13.234 -10.173 -16.151 1.00 0.00 O ATOM 957 ND2 ASN A 912 -11.056 -10.346 -16.250 1.00 0.00 N ATOM 0 H ASN A 912 -14.143 -11.157 -18.360 1.00 0.00 H new ATOM 0 HA ASN A 912 -13.961 -8.376 -18.306 1.00 0.00 H new ATOM 0 HB2 ASN A 912 -11.762 -10.406 -18.864 1.00 0.00 H new ATOM 0 HB3 ASN A 912 -11.515 -8.753 -18.339 1.00 0.00 H new ATOM 0 HD21 ASN A 912 -11.021 -10.652 -15.278 1.00 0.00 H new ATOM 0 HD22 ASN A 912 -10.194 -10.259 -16.789 1.00 0.00 H new ATOM 964 N GLU A 913 -13.387 -9.662 -21.278 1.00 0.00 N ATOM 965 CA GLU A 913 -13.247 -9.427 -22.720 1.00 0.00 C ATOM 966 C GLU A 913 -14.517 -8.869 -23.405 1.00 0.00 C ATOM 967 O GLU A 913 -14.444 -8.396 -24.540 1.00 0.00 O ATOM 968 CB GLU A 913 -12.741 -10.710 -23.407 1.00 0.00 C ATOM 969 CG GLU A 913 -13.703 -11.913 -23.392 1.00 0.00 C ATOM 970 CD GLU A 913 -13.437 -12.899 -22.231 1.00 0.00 C ATOM 971 OE1 GLU A 913 -13.094 -14.078 -22.499 1.00 0.00 O ATOM 972 OE2 GLU A 913 -13.581 -12.514 -21.046 1.00 0.00 O1- ATOM 0 H GLU A 913 -13.515 -10.649 -21.056 1.00 0.00 H new ATOM 0 HA GLU A 913 -12.509 -8.634 -22.838 1.00 0.00 H new ATOM 0 HB2 GLU A 913 -12.505 -10.473 -24.444 1.00 0.00 H new ATOM 0 HB3 GLU A 913 -11.809 -11.010 -22.928 1.00 0.00 H new ATOM 0 HG2 GLU A 913 -14.728 -11.548 -23.321 1.00 0.00 H new ATOM 0 HG3 GLU A 913 -13.620 -12.447 -24.339 1.00 0.00 H new ATOM 979 N GLU A 914 -15.676 -8.886 -22.737 1.00 0.00 N ATOM 980 CA GLU A 914 -16.886 -8.165 -23.153 1.00 0.00 C ATOM 981 C GLU A 914 -16.949 -6.754 -22.547 1.00 0.00 C ATOM 982 O GLU A 914 -17.329 -5.817 -23.253 1.00 0.00 O ATOM 983 CB GLU A 914 -18.157 -8.953 -22.781 1.00 0.00 C ATOM 984 CG GLU A 914 -18.610 -9.928 -23.877 1.00 0.00 C ATOM 985 CD GLU A 914 -17.701 -11.162 -24.050 1.00 0.00 C ATOM 986 OE1 GLU A 914 -17.187 -11.385 -25.174 1.00 0.00 O ATOM 987 OE2 GLU A 914 -17.559 -11.959 -23.091 1.00 0.00 O1- ATOM 0 H GLU A 914 -15.802 -9.413 -21.873 1.00 0.00 H new ATOM 0 HA GLU A 914 -16.837 -8.066 -24.237 1.00 0.00 H new ATOM 0 HB2 GLU A 914 -17.975 -9.510 -21.862 1.00 0.00 H new ATOM 0 HB3 GLU A 914 -18.964 -8.250 -22.573 1.00 0.00 H new ATOM 0 HG2 GLU A 914 -19.621 -10.266 -23.650 1.00 0.00 H new ATOM 0 HG3 GLU A 914 -18.659 -9.392 -24.825 1.00 0.00 H new ATOM 994 N ILE A 915 -16.557 -6.569 -21.276 1.00 0.00 N ATOM 995 CA ILE A 915 -16.522 -5.229 -20.671 1.00 0.00 C ATOM 996 C ILE A 915 -15.413 -4.355 -21.283 1.00 0.00 C ATOM 997 O ILE A 915 -15.694 -3.280 -21.800 1.00 0.00 O ATOM 998 CB ILE A 915 -16.556 -5.239 -19.117 1.00 0.00 C ATOM 999 CG1 ILE A 915 -16.220 -3.862 -18.517 1.00 0.00 C ATOM 1000 CG2 ILE A 915 -15.678 -6.284 -18.410 1.00 0.00 C ATOM 1001 CD1 ILE A 915 -17.137 -2.752 -19.031 1.00 0.00 C ATOM 0 H ILE A 915 -16.263 -7.322 -20.654 1.00 0.00 H new ATOM 0 HA ILE A 915 -17.461 -4.743 -20.936 1.00 0.00 H new ATOM 0 HB ILE A 915 -17.591 -5.521 -18.926 1.00 0.00 H new ATOM 0 HG12 ILE A 915 -16.296 -3.916 -17.431 1.00 0.00 H new ATOM 0 HG13 ILE A 915 -15.186 -3.611 -18.752 1.00 0.00 H new ATOM 0 HG21 ILE A 915 -15.792 -6.185 -17.331 1.00 0.00 H new ATOM 0 HG22 ILE A 915 -15.984 -7.284 -18.717 1.00 0.00 H new ATOM 0 HG23 ILE A 915 -14.634 -6.125 -18.680 1.00 0.00 H new ATOM 0 HD11 ILE A 915 -16.853 -1.804 -18.574 1.00 0.00 H new ATOM 0 HD12 ILE A 915 -17.043 -2.675 -20.114 1.00 0.00 H new ATOM 0 HD13 ILE A 915 -18.170 -2.984 -18.772 1.00 0.00 H new ATOM 1013 N ASN A 916 -14.157 -4.787 -21.288 1.00 0.00 N ATOM 1014 CA ASN A 916 -13.050 -3.959 -21.803 1.00 0.00 C ATOM 1015 C ASN A 916 -13.253 -3.468 -23.263 1.00 0.00 C ATOM 1016 O ASN A 916 -12.846 -2.359 -23.611 1.00 0.00 O ATOM 1017 CB ASN A 916 -11.709 -4.671 -21.563 1.00 0.00 C ATOM 1018 CG ASN A 916 -11.429 -5.920 -22.390 1.00 0.00 C ATOM 1019 OD1 ASN A 916 -12.034 -6.221 -23.406 1.00 0.00 O ATOM 1020 ND2 ASN A 916 -10.471 -6.706 -21.960 1.00 0.00 N ATOM 0 H ASN A 916 -13.871 -5.703 -20.944 1.00 0.00 H new ATOM 0 HA ASN A 916 -13.039 -3.030 -21.233 1.00 0.00 H new ATOM 0 HB2 ASN A 916 -10.908 -3.956 -21.749 1.00 0.00 H new ATOM 0 HB3 ASN A 916 -11.655 -4.944 -20.509 1.00 0.00 H new ATOM 0 HD21 ASN A 916 -10.240 -7.557 -22.474 1.00 0.00 H new ATOM 0 HD22 ASN A 916 -9.957 -6.467 -21.112 1.00 0.00 H new ATOM 1027 N GLU A 917 -13.996 -4.220 -24.078 1.00 0.00 N ATOM 1028 CA GLU A 917 -14.487 -3.830 -25.408 1.00 0.00 C ATOM 1029 C GLU A 917 -15.469 -2.636 -25.402 1.00 0.00 C ATOM 1030 O GLU A 917 -15.446 -1.814 -26.317 1.00 0.00 O ATOM 1031 CB GLU A 917 -15.165 -5.050 -26.050 1.00 0.00 C ATOM 1032 CG GLU A 917 -14.208 -5.888 -26.913 1.00 0.00 C ATOM 1033 CD GLU A 917 -13.730 -5.155 -28.187 1.00 0.00 C ATOM 1034 OE1 GLU A 917 -14.573 -4.649 -28.967 1.00 0.00 O ATOM 1035 OE2 GLU A 917 -12.501 -5.101 -28.438 1.00 0.00 O1- ATOM 0 H GLU A 917 -14.287 -5.163 -23.819 1.00 0.00 H new ATOM 0 HA GLU A 917 -13.621 -3.495 -25.980 1.00 0.00 H new ATOM 0 HB2 GLU A 917 -15.583 -5.680 -25.265 1.00 0.00 H new ATOM 0 HB3 GLU A 917 -15.999 -4.713 -26.666 1.00 0.00 H new ATOM 0 HG2 GLU A 917 -13.340 -6.166 -26.315 1.00 0.00 H new ATOM 0 HG3 GLU A 917 -14.706 -6.814 -27.201 1.00 0.00 H new ATOM 1042 N GLU A 918 -16.307 -2.503 -24.369 1.00 0.00 N ATOM 1043 CA GLU A 918 -17.216 -1.360 -24.149 1.00 0.00 C ATOM 1044 C GLU A 918 -16.453 -0.052 -23.874 1.00 0.00 C ATOM 1045 O GLU A 918 -16.848 1.017 -24.345 1.00 0.00 O ATOM 1046 CB GLU A 918 -18.167 -1.659 -22.971 1.00 0.00 C ATOM 1047 CG GLU A 918 -19.403 -0.744 -22.930 1.00 0.00 C ATOM 1048 CD GLU A 918 -20.546 -1.384 -22.124 1.00 0.00 C ATOM 1049 OE1 GLU A 918 -20.336 -1.795 -20.960 1.00 0.00 O ATOM 1050 OE2 GLU A 918 -21.693 -1.435 -22.624 1.00 0.00 O1- ATOM 0 H GLU A 918 -16.378 -3.208 -23.635 1.00 0.00 H new ATOM 0 HA GLU A 918 -17.789 -1.224 -25.066 1.00 0.00 H new ATOM 0 HB2 GLU A 918 -18.495 -2.696 -23.034 1.00 0.00 H new ATOM 0 HB3 GLU A 918 -17.617 -1.555 -22.036 1.00 0.00 H new ATOM 0 HG2 GLU A 918 -19.134 0.214 -22.486 1.00 0.00 H new ATOM 0 HG3 GLU A 918 -19.741 -0.540 -23.946 1.00 0.00 H new ATOM 1057 N LEU A 919 -15.336 -0.142 -23.139 1.00 0.00 N ATOM 1058 CA LEU A 919 -14.400 0.963 -22.912 1.00 0.00 C ATOM 1059 C LEU A 919 -13.486 1.231 -24.127 1.00 0.00 C ATOM 1060 O LEU A 919 -13.042 2.362 -24.336 1.00 0.00 O ATOM 1061 CB LEU A 919 -13.544 0.598 -21.692 1.00 0.00 C ATOM 1062 CG LEU A 919 -14.295 0.600 -20.349 1.00 0.00 C ATOM 1063 CD1 LEU A 919 -14.170 -0.767 -19.678 1.00 0.00 C ATOM 1064 CD2 LEU A 919 -13.701 1.663 -19.436 1.00 0.00 C ATOM 0 H LEU A 919 -15.053 -1.006 -22.676 1.00 0.00 H new ATOM 0 HA LEU A 919 -14.971 1.877 -22.748 1.00 0.00 H new ATOM 0 HB2 LEU A 919 -13.115 -0.392 -21.850 1.00 0.00 H new ATOM 0 HB3 LEU A 919 -12.712 1.299 -21.627 1.00 0.00 H new ATOM 0 HG LEU A 919 -15.348 0.817 -20.531 1.00 0.00 H new ATOM 0 HD11 LEU A 919 -14.705 -0.756 -18.728 1.00 0.00 H new ATOM 0 HD12 LEU A 919 -14.598 -1.531 -20.327 1.00 0.00 H new ATOM 0 HD13 LEU A 919 -13.118 -0.990 -19.500 1.00 0.00 H new ATOM 0 HD21 LEU A 919 -14.233 1.664 -18.485 1.00 0.00 H new ATOM 0 HD22 LEU A 919 -12.647 1.446 -19.262 1.00 0.00 H new ATOM 0 HD23 LEU A 919 -13.797 2.642 -19.907 1.00 0.00 H new ATOM 1076 N GLY A 920 -13.208 0.192 -24.919 1.00 0.00 N ATOM 1077 CA GLY A 920 -12.357 0.225 -26.120 1.00 0.00 C ATOM 1078 C GLY A 920 -10.868 -0.063 -25.857 1.00 0.00 C ATOM 1079 O GLY A 920 -9.999 0.548 -26.485 1.00 0.00 O ATOM 0 H GLY A 920 -13.585 -0.738 -24.736 1.00 0.00 H new ATOM 0 HA2 GLY A 920 -12.734 -0.505 -26.837 1.00 0.00 H new ATOM 0 HA3 GLY A 920 -12.447 1.206 -26.587 1.00 0.00 H new ATOM 1083 N ILE A 921 -10.575 -0.954 -24.906 1.00 0.00 N ATOM 1084 CA ILE A 921 -9.245 -1.240 -24.325 1.00 0.00 C ATOM 1085 C ILE A 921 -9.077 -2.746 -24.022 1.00 0.00 C ATOM 1086 O ILE A 921 -10.010 -3.531 -24.202 1.00 0.00 O ATOM 1087 CB ILE A 921 -9.039 -0.393 -23.037 1.00 0.00 C ATOM 1088 CG1 ILE A 921 -10.178 -0.647 -22.028 1.00 0.00 C ATOM 1089 CG2 ILE A 921 -8.900 1.103 -23.369 1.00 0.00 C ATOM 1090 CD1 ILE A 921 -10.019 0.016 -20.658 1.00 0.00 C ATOM 0 H ILE A 921 -11.302 -1.536 -24.489 1.00 0.00 H new ATOM 0 HA ILE A 921 -8.484 -0.966 -25.056 1.00 0.00 H new ATOM 0 HB ILE A 921 -8.105 -0.708 -22.571 1.00 0.00 H new ATOM 0 HG12 ILE A 921 -11.113 -0.302 -22.470 1.00 0.00 H new ATOM 0 HG13 ILE A 921 -10.273 -1.723 -21.880 1.00 0.00 H new ATOM 0 HG21 ILE A 921 -8.757 1.668 -22.448 1.00 0.00 H new ATOM 0 HG22 ILE A 921 -8.041 1.252 -24.023 1.00 0.00 H new ATOM 0 HG23 ILE A 921 -9.803 1.450 -23.871 1.00 0.00 H new ATOM 0 HD11 ILE A 921 -10.877 -0.231 -20.032 1.00 0.00 H new ATOM 0 HD12 ILE A 921 -9.107 -0.345 -20.183 1.00 0.00 H new ATOM 0 HD13 ILE A 921 -9.960 1.097 -20.782 1.00 0.00 H new ATOM 1262 N GLN B 5 -13.609 3.467 -16.226 1.00 0.00 N ATOM 1263 CA GLN B 5 -14.791 4.343 -16.110 1.00 0.00 C ATOM 1264 C GLN B 5 -16.074 3.863 -16.817 1.00 0.00 C ATOM 1265 O GLN B 5 -17.139 3.893 -16.212 1.00 0.00 O ATOM 1266 CB GLN B 5 -14.402 5.775 -16.525 1.00 0.00 C ATOM 1267 CG GLN B 5 -14.116 5.995 -18.026 1.00 0.00 C ATOM 1268 CD GLN B 5 -13.498 7.360 -18.348 1.00 0.00 C ATOM 1269 OE1 GLN B 5 -13.210 8.187 -17.493 1.00 0.00 O ATOM 1270 NE2 GLN B 5 -13.266 7.653 -19.611 1.00 0.00 N ATOM 0 HA GLN B 5 -15.079 4.311 -15.059 1.00 0.00 H new ATOM 0 HB2 GLN B 5 -15.206 6.448 -16.227 1.00 0.00 H new ATOM 0 HB3 GLN B 5 -13.516 6.067 -15.961 1.00 0.00 H new ATOM 0 HG2 GLN B 5 -13.444 5.211 -18.376 1.00 0.00 H new ATOM 0 HG3 GLN B 5 -15.047 5.889 -18.582 1.00 0.00 H new ATOM 0 HE21 GLN B 5 -13.498 6.980 -20.342 1.00 0.00 H new ATOM 0 HE22 GLN B 5 -12.855 8.553 -19.859 1.00 0.00 H new ATOM 1279 N THR B 6 -15.996 3.430 -18.079 1.00 0.00 N ATOM 1280 CA THR B 6 -17.089 2.960 -18.972 1.00 0.00 C ATOM 1281 C THR B 6 -18.211 3.959 -19.297 1.00 0.00 C ATOM 1282 O THR B 6 -18.529 4.146 -20.471 1.00 0.00 O ATOM 1283 CB THR B 6 -17.708 1.646 -18.476 1.00 0.00 C ATOM 1284 OG1 THR B 6 -16.693 0.746 -18.137 1.00 0.00 O ATOM 1285 CG2 THR B 6 -18.531 0.928 -19.541 1.00 0.00 C ATOM 0 H THR B 6 -15.094 3.391 -18.554 1.00 0.00 H new ATOM 0 HA THR B 6 -16.561 2.815 -19.915 1.00 0.00 H new ATOM 0 HB THR B 6 -18.344 1.925 -17.636 1.00 0.00 H new ATOM 0 HG1 THR B 6 -16.923 0.294 -17.298 1.00 0.00 H new ATOM 0 HG21 THR B 6 -18.940 0.007 -19.125 1.00 0.00 H new ATOM 0 HG22 THR B 6 -19.347 1.573 -19.866 1.00 0.00 H new ATOM 0 HG23 THR B 6 -17.895 0.690 -20.393 1.00 0.00 H new