USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 470 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 Single : A 726 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 727 GLN : amide:sc= -0.0521 K(o=-0.052,f=-1.6!) USER MOD Single : A 729 LYS NZ :NH3+ -119:sc= 0.303 (180deg=-0.0166) USER MOD Single : A 733 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 734 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 735 MET CE :methyl -152:sc= -4.27! (180deg=-6.76!) USER MOD Single : A 736 MET CE :methyl -160:sc= -1.97 (180deg=-2.64) USER MOD Single : A 740 LYS NZ :NH3+ -161:sc= -0.037 (180deg=-0.361) USER MOD Single : A 742 ASN : amide:sc= 0 X(o=0,f=-0.36) USER MOD Single : A 746 THR OG1 : rot 180:sc= -0.111 USER MOD Single : A 748 SER OG : rot 180:sc= 0 USER MOD Single : A 753 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 754 HIS : no HD1:sc=-0.00148 X(o=-0.0015,f=0) USER MOD Single : A 756 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 758 SER OG : rot 180:sc= 0 USER MOD Single : A 761 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 765 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 766 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 767 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 774 ASN : amide:sc= -2.11 K(o=-2.1,f=-2.7!) USER MOD ----------------------------------------------------------------- ATOM 224 N ILE A 725 10.302 -8.814 -3.949 1.00 0.00 N ATOM 225 CA ILE A 725 9.891 -7.483 -3.520 1.00 0.00 C ATOM 226 C ILE A 725 8.696 -6.989 -4.328 1.00 0.00 C ATOM 227 O ILE A 725 7.693 -6.549 -3.766 1.00 0.00 O ATOM 228 CB ILE A 725 11.042 -6.468 -3.655 1.00 0.00 C ATOM 229 CG1 ILE A 725 12.230 -6.893 -2.790 1.00 0.00 C ATOM 230 CG2 ILE A 725 10.568 -5.075 -3.267 1.00 0.00 C ATOM 231 CD1 ILE A 725 13.493 -6.110 -3.072 1.00 0.00 C ATOM 0 HA ILE A 725 9.609 -7.563 -2.470 1.00 0.00 H new ATOM 0 HB ILE A 725 11.365 -6.444 -4.696 1.00 0.00 H new ATOM 0 HG12 ILE A 725 11.965 -6.774 -1.739 1.00 0.00 H new ATOM 0 HG13 ILE A 725 12.426 -7.953 -2.951 1.00 0.00 H new ATOM 0 HG21 ILE A 725 11.392 -4.369 -3.368 1.00 0.00 H new ATOM 0 HG22 ILE A 725 9.750 -4.774 -3.922 1.00 0.00 H new ATOM 0 HG23 ILE A 725 10.221 -5.083 -2.234 1.00 0.00 H new ATOM 0 HD11 ILE A 725 14.294 -6.465 -2.423 1.00 0.00 H new ATOM 0 HD12 ILE A 725 13.782 -6.249 -4.114 1.00 0.00 H new ATOM 0 HD13 ILE A 725 13.315 -5.051 -2.883 1.00 0.00 H new ATOM 243 N MET A 726 8.809 -7.068 -5.650 1.00 0.00 N ATOM 244 CA MET A 726 7.735 -6.632 -6.536 1.00 0.00 C ATOM 245 C MET A 726 6.448 -7.399 -6.248 1.00 0.00 C ATOM 246 O MET A 726 5.431 -6.807 -5.888 1.00 0.00 O ATOM 247 CB MET A 726 8.142 -6.825 -7.998 1.00 0.00 C ATOM 248 CG MET A 726 9.155 -5.802 -8.487 1.00 0.00 C ATOM 249 SD MET A 726 9.475 -5.933 -10.257 1.00 0.00 S ATOM 250 CE MET A 726 10.689 -7.250 -10.285 1.00 0.00 C ATOM 0 H MET A 726 9.633 -7.429 -6.131 1.00 0.00 H new ATOM 0 HA MET A 726 7.554 -5.573 -6.354 1.00 0.00 H new ATOM 0 HB2 MET A 726 8.559 -7.825 -8.122 1.00 0.00 H new ATOM 0 HB3 MET A 726 7.252 -6.771 -8.625 1.00 0.00 H new ATOM 0 HG2 MET A 726 8.792 -4.800 -8.261 1.00 0.00 H new ATOM 0 HG3 MET A 726 10.090 -5.933 -7.942 1.00 0.00 H new ATOM 0 HE1 MET A 726 10.987 -7.448 -11.315 1.00 0.00 H new ATOM 0 HE2 MET A 726 11.563 -6.952 -9.705 1.00 0.00 H new ATOM 0 HE3 MET A 726 10.257 -8.152 -9.852 1.00 0.00 H new ATOM 260 N GLN A 727 6.501 -8.717 -6.410 1.00 0.00 N ATOM 261 CA GLN A 727 5.339 -9.563 -6.168 1.00 0.00 C ATOM 262 C GLN A 727 4.582 -9.106 -4.925 1.00 0.00 C ATOM 263 O GLN A 727 3.399 -8.773 -4.994 1.00 0.00 O ATOM 264 CB GLN A 727 5.768 -11.023 -6.011 1.00 0.00 C ATOM 265 CG GLN A 727 4.603 -11.983 -5.834 1.00 0.00 C ATOM 266 CD GLN A 727 5.014 -13.283 -5.170 1.00 0.00 C ATOM 267 OE1 GLN A 727 6.185 -13.485 -4.847 1.00 0.00 O ATOM 268 NE2 GLN A 727 4.050 -14.172 -4.961 1.00 0.00 N ATOM 0 H GLN A 727 7.336 -9.222 -6.708 1.00 0.00 H new ATOM 0 HA GLN A 727 4.674 -9.478 -7.027 1.00 0.00 H new ATOM 0 HB2 GLN A 727 6.343 -11.320 -6.888 1.00 0.00 H new ATOM 0 HB3 GLN A 727 6.432 -11.108 -5.151 1.00 0.00 H new ATOM 0 HG2 GLN A 727 3.829 -11.503 -5.236 1.00 0.00 H new ATOM 0 HG3 GLN A 727 4.164 -12.200 -6.808 1.00 0.00 H new ATOM 0 HE21 GLN A 727 3.093 -13.963 -5.245 1.00 0.00 H new ATOM 0 HE22 GLN A 727 4.267 -15.064 -4.517 1.00 0.00 H new ATOM 277 N ALA A 728 5.272 -9.094 -3.790 1.00 0.00 N ATOM 278 CA ALA A 728 4.666 -8.676 -2.532 1.00 0.00 C ATOM 279 C ALA A 728 4.058 -7.283 -2.651 1.00 0.00 C ATOM 280 O ALA A 728 2.849 -7.106 -2.498 1.00 0.00 O ATOM 281 CB ALA A 728 5.696 -8.711 -1.412 1.00 0.00 C ATOM 0 H ALA A 728 6.251 -9.369 -3.716 1.00 0.00 H new ATOM 0 HA ALA A 728 3.864 -9.375 -2.295 1.00 0.00 H new ATOM 0 HB1 ALA A 728 5.229 -8.396 -0.479 1.00 0.00 H new ATOM 0 HB2 ALA A 728 6.080 -9.725 -1.302 1.00 0.00 H new ATOM 0 HB3 ALA A 728 6.518 -8.036 -1.652 1.00 0.00 H new ATOM 287 N LYS A 729 4.903 -6.295 -2.924 1.00 0.00 N ATOM 288 CA LYS A 729 4.450 -4.916 -3.064 1.00 0.00 C ATOM 289 C LYS A 729 3.165 -4.847 -3.883 1.00 0.00 C ATOM 290 O LYS A 729 2.255 -4.084 -3.561 1.00 0.00 O ATOM 291 CB LYS A 729 5.536 -4.066 -3.727 1.00 0.00 C ATOM 292 CG LYS A 729 6.502 -3.435 -2.740 1.00 0.00 C ATOM 293 CD LYS A 729 7.566 -2.613 -3.448 1.00 0.00 C ATOM 294 CE LYS A 729 8.259 -1.655 -2.491 1.00 0.00 C ATOM 295 NZ LYS A 729 8.999 -2.378 -1.420 1.00 0.00 N ATOM 0 H LYS A 729 5.907 -6.424 -3.053 1.00 0.00 H new ATOM 0 HA LYS A 729 4.247 -4.523 -2.068 1.00 0.00 H new ATOM 0 HB2 LYS A 729 6.097 -4.688 -4.424 1.00 0.00 H new ATOM 0 HB3 LYS A 729 5.062 -3.278 -4.313 1.00 0.00 H new ATOM 0 HG2 LYS A 729 5.951 -2.799 -2.047 1.00 0.00 H new ATOM 0 HG3 LYS A 729 6.979 -4.215 -2.147 1.00 0.00 H new ATOM 0 HD2 LYS A 729 8.304 -3.279 -3.896 1.00 0.00 H new ATOM 0 HD3 LYS A 729 7.110 -2.049 -4.262 1.00 0.00 H new ATOM 0 HE2 LYS A 729 8.951 -1.023 -3.048 1.00 0.00 H new ATOM 0 HE3 LYS A 729 7.519 -0.995 -2.039 1.00 0.00 H new ATOM 0 HZ1 LYS A 729 8.609 -2.117 -0.492 1.00 0.00 H new ATOM 0 HZ2 LYS A 729 8.900 -3.404 -1.561 1.00 0.00 H new ATOM 0 HZ3 LYS A 729 10.005 -2.119 -1.458 1.00 0.00 H new ATOM 309 N GLU A 730 3.098 -5.649 -4.940 1.00 0.00 N ATOM 310 CA GLU A 730 1.923 -5.678 -5.803 1.00 0.00 C ATOM 311 C GLU A 730 0.677 -6.068 -5.013 1.00 0.00 C ATOM 312 O GLU A 730 -0.301 -5.320 -4.966 1.00 0.00 O ATOM 313 CB GLU A 730 2.135 -6.658 -6.959 1.00 0.00 C ATOM 314 CG GLU A 730 0.980 -6.695 -7.946 1.00 0.00 C ATOM 315 CD GLU A 730 1.108 -5.645 -9.032 1.00 0.00 C ATOM 316 OE1 GLU A 730 1.891 -5.865 -9.980 1.00 0.00 O ATOM 317 OE2 GLU A 730 0.425 -4.604 -8.936 1.00 0.00 O ATOM 0 H GLU A 730 3.843 -6.287 -5.220 1.00 0.00 H new ATOM 0 HA GLU A 730 1.777 -4.677 -6.208 1.00 0.00 H new ATOM 0 HB2 GLU A 730 3.047 -6.388 -7.491 1.00 0.00 H new ATOM 0 HB3 GLU A 730 2.287 -7.658 -6.553 1.00 0.00 H new ATOM 0 HG2 GLU A 730 0.930 -7.683 -8.405 1.00 0.00 H new ATOM 0 HG3 GLU A 730 0.043 -6.545 -7.409 1.00 0.00 H new ATOM 324 N ASP A 731 0.719 -7.243 -4.395 1.00 0.00 N ATOM 325 CA ASP A 731 -0.405 -7.733 -3.606 1.00 0.00 C ATOM 326 C ASP A 731 -0.833 -6.699 -2.569 1.00 0.00 C ATOM 327 O ASP A 731 -2.001 -6.638 -2.183 1.00 0.00 O ATOM 328 CB ASP A 731 -0.036 -9.045 -2.913 1.00 0.00 C ATOM 329 CG ASP A 731 0.304 -10.145 -3.900 1.00 0.00 C ATOM 330 OD1 ASP A 731 1.178 -9.918 -4.762 1.00 0.00 O ATOM 331 OD2 ASP A 731 -0.305 -11.232 -3.810 1.00 0.00 O ATOM 0 H ASP A 731 1.520 -7.874 -4.425 1.00 0.00 H new ATOM 0 HA ASP A 731 -1.241 -7.911 -4.282 1.00 0.00 H new ATOM 0 HB2 ASP A 731 0.815 -8.877 -2.253 1.00 0.00 H new ATOM 0 HB3 ASP A 731 -0.867 -9.368 -2.286 1.00 0.00 H new ATOM 336 N PHE A 732 0.120 -5.888 -2.121 1.00 0.00 N ATOM 337 CA PHE A 732 -0.158 -4.857 -1.127 1.00 0.00 C ATOM 338 C PHE A 732 -0.821 -3.644 -1.772 1.00 0.00 C ATOM 339 O PHE A 732 -1.982 -3.337 -1.499 1.00 0.00 O ATOM 340 CB PHE A 732 1.134 -4.434 -0.426 1.00 0.00 C ATOM 341 CG PHE A 732 0.908 -3.533 0.754 1.00 0.00 C ATOM 342 CD1 PHE A 732 0.188 -3.974 1.852 1.00 0.00 C ATOM 343 CD2 PHE A 732 1.416 -2.244 0.765 1.00 0.00 C ATOM 344 CE1 PHE A 732 -0.022 -3.147 2.940 1.00 0.00 C ATOM 345 CE2 PHE A 732 1.210 -1.412 1.850 1.00 0.00 C ATOM 346 CZ PHE A 732 0.489 -1.864 2.938 1.00 0.00 C ATOM 0 H PHE A 732 1.091 -5.925 -2.430 1.00 0.00 H new ATOM 0 HA PHE A 732 -0.844 -5.274 -0.389 1.00 0.00 H new ATOM 0 HB2 PHE A 732 1.667 -5.325 -0.096 1.00 0.00 H new ATOM 0 HB3 PHE A 732 1.778 -3.925 -1.144 1.00 0.00 H new ATOM 0 HD1 PHE A 732 -0.214 -4.976 1.858 1.00 0.00 H new ATOM 0 HD2 PHE A 732 1.979 -1.885 -0.084 1.00 0.00 H new ATOM 0 HE1 PHE A 732 -0.585 -3.504 3.790 1.00 0.00 H new ATOM 0 HE2 PHE A 732 1.612 -0.410 1.847 1.00 0.00 H new ATOM 0 HZ PHE A 732 0.325 -1.215 3.786 1.00 0.00 H new ATOM 356 N LYS A 733 -0.075 -2.956 -2.630 1.00 0.00 N ATOM 357 CA LYS A 733 -0.588 -1.776 -3.316 1.00 0.00 C ATOM 358 C LYS A 733 -1.960 -2.053 -3.922 1.00 0.00 C ATOM 359 O LYS A 733 -2.848 -1.201 -3.889 1.00 0.00 O ATOM 360 CB LYS A 733 0.386 -1.334 -4.411 1.00 0.00 C ATOM 361 CG LYS A 733 0.507 -2.326 -5.554 1.00 0.00 C ATOM 362 CD LYS A 733 1.521 -1.865 -6.587 1.00 0.00 C ATOM 363 CE LYS A 733 0.940 -0.799 -7.503 1.00 0.00 C ATOM 364 NZ LYS A 733 2.005 0.002 -8.168 1.00 0.00 N ATOM 0 H LYS A 733 0.888 -3.196 -2.867 1.00 0.00 H new ATOM 0 HA LYS A 733 -0.689 -0.975 -2.583 1.00 0.00 H new ATOM 0 HB2 LYS A 733 0.061 -0.373 -4.808 1.00 0.00 H new ATOM 0 HB3 LYS A 733 1.370 -1.180 -3.969 1.00 0.00 H new ATOM 0 HG2 LYS A 733 0.802 -3.300 -5.162 1.00 0.00 H new ATOM 0 HG3 LYS A 733 -0.465 -2.455 -6.030 1.00 0.00 H new ATOM 0 HD2 LYS A 733 2.403 -1.471 -6.082 1.00 0.00 H new ATOM 0 HD3 LYS A 733 1.849 -2.718 -7.182 1.00 0.00 H new ATOM 0 HE2 LYS A 733 0.315 -1.272 -8.260 1.00 0.00 H new ATOM 0 HE3 LYS A 733 0.295 -0.137 -6.926 1.00 0.00 H new ATOM 0 HZ1 LYS A 733 1.568 0.717 -8.783 1.00 0.00 H new ATOM 0 HZ2 LYS A 733 2.586 0.474 -7.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 733 2.606 -0.626 -8.739 1.00 0.00 H new ATOM 378 N LYS A 734 -2.127 -3.250 -4.475 1.00 0.00 N ATOM 379 CA LYS A 734 -3.391 -3.641 -5.086 1.00 0.00 C ATOM 380 C LYS A 734 -4.446 -3.926 -4.021 1.00 0.00 C ATOM 381 O LYS A 734 -5.596 -3.505 -4.145 1.00 0.00 O ATOM 382 CB LYS A 734 -3.195 -4.876 -5.968 1.00 0.00 C ATOM 383 CG LYS A 734 -2.362 -4.610 -7.210 1.00 0.00 C ATOM 384 CD LYS A 734 -3.219 -4.102 -8.357 1.00 0.00 C ATOM 385 CE LYS A 734 -2.423 -3.204 -9.292 1.00 0.00 C ATOM 386 NZ LYS A 734 -3.308 -2.431 -10.206 1.00 0.00 N ATOM 0 H LYS A 734 -1.402 -3.966 -4.512 1.00 0.00 H new ATOM 0 HA LYS A 734 -3.738 -2.813 -5.703 1.00 0.00 H new ATOM 0 HB2 LYS A 734 -2.716 -5.659 -5.381 1.00 0.00 H new ATOM 0 HB3 LYS A 734 -4.171 -5.255 -6.270 1.00 0.00 H new ATOM 0 HG2 LYS A 734 -1.588 -3.877 -6.980 1.00 0.00 H new ATOM 0 HG3 LYS A 734 -1.854 -5.526 -7.512 1.00 0.00 H new ATOM 0 HD2 LYS A 734 -3.619 -4.948 -8.916 1.00 0.00 H new ATOM 0 HD3 LYS A 734 -4.071 -3.551 -7.960 1.00 0.00 H new ATOM 0 HE2 LYS A 734 -1.817 -2.514 -8.704 1.00 0.00 H new ATOM 0 HE3 LYS A 734 -1.735 -3.811 -9.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 734 -2.727 -1.832 -10.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 734 -3.868 -3.089 -10.785 1.00 0.00 H new ATOM 0 HZ3 LYS A 734 -3.947 -1.832 -9.646 1.00 0.00 H new ATOM 400 N MET A 735 -4.045 -4.641 -2.975 1.00 0.00 N ATOM 401 CA MET A 735 -4.956 -4.980 -1.888 1.00 0.00 C ATOM 402 C MET A 735 -5.563 -3.721 -1.276 1.00 0.00 C ATOM 403 O MET A 735 -6.776 -3.634 -1.089 1.00 0.00 O ATOM 404 CB MET A 735 -4.223 -5.782 -0.811 1.00 0.00 C ATOM 405 CG MET A 735 -4.922 -5.769 0.538 1.00 0.00 C ATOM 406 SD MET A 735 -4.430 -4.369 1.562 1.00 0.00 S ATOM 407 CE MET A 735 -2.742 -4.817 1.961 1.00 0.00 C ATOM 0 H MET A 735 -3.096 -4.997 -2.857 1.00 0.00 H new ATOM 0 HA MET A 735 -5.762 -5.589 -2.298 1.00 0.00 H new ATOM 0 HB2 MET A 735 -4.118 -6.814 -1.146 1.00 0.00 H new ATOM 0 HB3 MET A 735 -3.216 -5.381 -0.693 1.00 0.00 H new ATOM 0 HG2 MET A 735 -6.001 -5.740 0.384 1.00 0.00 H new ATOM 0 HG3 MET A 735 -4.701 -6.696 1.066 1.00 0.00 H new ATOM 0 HE1 MET A 735 -2.467 -4.380 2.921 1.00 0.00 H new ATOM 0 HE2 MET A 735 -2.658 -5.902 2.019 1.00 0.00 H new ATOM 0 HE3 MET A 735 -2.073 -4.442 1.186 1.00 0.00 H new ATOM 417 N MET A 736 -4.711 -2.749 -0.965 1.00 0.00 N ATOM 418 CA MET A 736 -5.165 -1.496 -0.375 1.00 0.00 C ATOM 419 C MET A 736 -6.049 -0.724 -1.350 1.00 0.00 C ATOM 420 O MET A 736 -7.092 -0.193 -0.969 1.00 0.00 O ATOM 421 CB MET A 736 -3.967 -0.637 0.034 1.00 0.00 C ATOM 422 CG MET A 736 -3.310 -1.088 1.328 1.00 0.00 C ATOM 423 SD MET A 736 -2.291 0.199 2.075 1.00 0.00 S ATOM 424 CE MET A 736 -1.166 0.563 0.730 1.00 0.00 C ATOM 0 H MET A 736 -3.703 -2.806 -1.112 1.00 0.00 H new ATOM 0 HA MET A 736 -5.753 -1.733 0.511 1.00 0.00 H new ATOM 0 HB2 MET A 736 -3.227 -0.656 -0.766 1.00 0.00 H new ATOM 0 HB3 MET A 736 -4.292 0.398 0.143 1.00 0.00 H new ATOM 0 HG2 MET A 736 -4.081 -1.392 2.036 1.00 0.00 H new ATOM 0 HG3 MET A 736 -2.694 -1.965 1.132 1.00 0.00 H new ATOM 0 HE1 MET A 736 -0.277 1.056 1.123 1.00 0.00 H new ATOM 0 HE2 MET A 736 -0.878 -0.365 0.235 1.00 0.00 H new ATOM 0 HE3 MET A 736 -1.657 1.220 0.012 1.00 0.00 H new ATOM 434 N GLU A 737 -5.625 -0.667 -2.609 1.00 0.00 N ATOM 435 CA GLU A 737 -6.379 0.041 -3.637 1.00 0.00 C ATOM 436 C GLU A 737 -7.842 -0.392 -3.633 1.00 0.00 C ATOM 437 O GLU A 737 -8.745 0.438 -3.731 1.00 0.00 O ATOM 438 CB GLU A 737 -5.764 -0.210 -5.015 1.00 0.00 C ATOM 439 CG GLU A 737 -4.699 0.802 -5.400 1.00 0.00 C ATOM 440 CD GLU A 737 -4.600 1.004 -6.900 1.00 0.00 C ATOM 441 OE1 GLU A 737 -5.564 1.534 -7.491 1.00 0.00 O ATOM 442 OE2 GLU A 737 -3.560 0.632 -7.482 1.00 0.00 O ATOM 0 H GLU A 737 -4.764 -1.102 -2.941 1.00 0.00 H new ATOM 0 HA GLU A 737 -6.334 1.107 -3.416 1.00 0.00 H new ATOM 0 HB2 GLU A 737 -5.327 -1.209 -5.032 1.00 0.00 H new ATOM 0 HB3 GLU A 737 -6.555 -0.195 -5.765 1.00 0.00 H new ATOM 0 HG2 GLU A 737 -4.921 1.756 -4.923 1.00 0.00 H new ATOM 0 HG3 GLU A 737 -3.734 0.471 -5.017 1.00 0.00 H new ATOM 449 N GLU A 738 -8.067 -1.698 -3.521 1.00 0.00 N ATOM 450 CA GLU A 738 -9.420 -2.241 -3.507 1.00 0.00 C ATOM 451 C GLU A 738 -10.152 -1.845 -2.228 1.00 0.00 C ATOM 452 O GLU A 738 -11.303 -1.411 -2.268 1.00 0.00 O ATOM 453 CB GLU A 738 -9.383 -3.765 -3.635 1.00 0.00 C ATOM 454 CG GLU A 738 -9.139 -4.251 -5.053 1.00 0.00 C ATOM 455 CD GLU A 738 -10.363 -4.105 -5.938 1.00 0.00 C ATOM 456 OE1 GLU A 738 -11.214 -3.243 -5.636 1.00 0.00 O ATOM 457 OE2 GLU A 738 -10.468 -4.853 -6.932 1.00 0.00 O ATOM 0 H GLU A 738 -7.330 -2.399 -3.439 1.00 0.00 H new ATOM 0 HA GLU A 738 -9.960 -1.825 -4.358 1.00 0.00 H new ATOM 0 HB2 GLU A 738 -8.600 -4.157 -2.986 1.00 0.00 H new ATOM 0 HB3 GLU A 738 -10.328 -4.174 -3.277 1.00 0.00 H new ATOM 0 HG2 GLU A 738 -8.312 -3.690 -5.488 1.00 0.00 H new ATOM 0 HG3 GLU A 738 -8.836 -5.298 -5.027 1.00 0.00 H new ATOM 464 N ALA A 739 -9.475 -1.998 -1.094 1.00 0.00 N ATOM 465 CA ALA A 739 -10.059 -1.655 0.197 1.00 0.00 C ATOM 466 C ALA A 739 -10.434 -0.178 0.255 1.00 0.00 C ATOM 467 O ALA A 739 -11.414 0.200 0.896 1.00 0.00 O ATOM 468 CB ALA A 739 -9.095 -2.002 1.321 1.00 0.00 C ATOM 0 H ALA A 739 -8.522 -2.357 -1.044 1.00 0.00 H new ATOM 0 HA ALA A 739 -10.971 -2.239 0.322 1.00 0.00 H new ATOM 0 HB1 ALA A 739 -9.544 -1.741 2.279 1.00 0.00 H new ATOM 0 HB2 ALA A 739 -8.881 -3.071 1.300 1.00 0.00 H new ATOM 0 HB3 ALA A 739 -8.168 -1.444 1.190 1.00 0.00 H new ATOM 474 N LYS A 740 -9.647 0.654 -0.419 1.00 0.00 N ATOM 475 CA LYS A 740 -9.895 2.091 -0.445 1.00 0.00 C ATOM 476 C LYS A 740 -10.469 2.568 0.885 1.00 0.00 C ATOM 477 O LYS A 740 -11.381 3.394 0.919 1.00 0.00 O ATOM 478 CB LYS A 740 -10.857 2.442 -1.582 1.00 0.00 C ATOM 479 CG LYS A 740 -10.634 3.829 -2.161 1.00 0.00 C ATOM 480 CD LYS A 740 -11.812 4.275 -3.009 1.00 0.00 C ATOM 481 CE LYS A 740 -11.711 5.749 -3.373 1.00 0.00 C ATOM 482 NZ LYS A 740 -11.820 6.625 -2.174 1.00 0.00 N ATOM 0 H LYS A 740 -8.831 0.358 -0.955 1.00 0.00 H new ATOM 0 HA LYS A 740 -8.944 2.596 -0.612 1.00 0.00 H new ATOM 0 HB2 LYS A 740 -10.751 1.704 -2.377 1.00 0.00 H new ATOM 0 HB3 LYS A 740 -11.881 2.371 -1.215 1.00 0.00 H new ATOM 0 HG2 LYS A 740 -10.477 4.541 -1.351 1.00 0.00 H new ATOM 0 HG3 LYS A 740 -9.728 3.830 -2.766 1.00 0.00 H new ATOM 0 HD2 LYS A 740 -11.854 3.677 -3.919 1.00 0.00 H new ATOM 0 HD3 LYS A 740 -12.740 4.096 -2.467 1.00 0.00 H new ATOM 0 HE2 LYS A 740 -10.761 5.935 -3.874 1.00 0.00 H new ATOM 0 HE3 LYS A 740 -12.500 6.003 -4.081 1.00 0.00 H new ATOM 0 HZ1 LYS A 740 -12.069 7.590 -2.471 1.00 0.00 H new ATOM 0 HZ2 LYS A 740 -12.558 6.256 -1.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 740 -10.909 6.641 -1.672 1.00 0.00 H new ATOM 496 N PHE A 741 -9.927 2.044 1.980 1.00 0.00 N ATOM 497 CA PHE A 741 -10.385 2.417 3.313 1.00 0.00 C ATOM 498 C PHE A 741 -10.314 3.928 3.510 1.00 0.00 C ATOM 499 O PHE A 741 -9.960 4.668 2.593 1.00 0.00 O ATOM 500 CB PHE A 741 -9.545 1.712 4.380 1.00 0.00 C ATOM 501 CG PHE A 741 -8.072 1.980 4.257 1.00 0.00 C ATOM 502 CD1 PHE A 741 -7.562 3.245 4.501 1.00 0.00 C ATOM 503 CD2 PHE A 741 -7.198 0.967 3.898 1.00 0.00 C ATOM 504 CE1 PHE A 741 -6.208 3.495 4.387 1.00 0.00 C ATOM 505 CE2 PHE A 741 -5.842 1.211 3.783 1.00 0.00 C ATOM 506 CZ PHE A 741 -5.346 2.476 4.029 1.00 0.00 C ATOM 0 H PHE A 741 -9.170 1.360 1.970 1.00 0.00 H new ATOM 0 HA PHE A 741 -11.424 2.104 3.413 1.00 0.00 H new ATOM 0 HB2 PHE A 741 -9.883 2.030 5.366 1.00 0.00 H new ATOM 0 HB3 PHE A 741 -9.717 0.638 4.315 1.00 0.00 H new ATOM 0 HD1 PHE A 741 -8.231 4.045 4.784 1.00 0.00 H new ATOM 0 HD2 PHE A 741 -7.580 -0.025 3.706 1.00 0.00 H new ATOM 0 HE1 PHE A 741 -5.824 4.486 4.578 1.00 0.00 H new ATOM 0 HE2 PHE A 741 -5.171 0.413 3.501 1.00 0.00 H new ATOM 0 HZ PHE A 741 -4.287 2.669 3.942 1.00 0.00 H new ATOM 516 N ASN A 742 -10.653 4.379 4.713 1.00 0.00 N ATOM 517 CA ASN A 742 -10.629 5.803 5.031 1.00 0.00 C ATOM 518 C ASN A 742 -9.292 6.199 5.650 1.00 0.00 C ATOM 519 O ASN A 742 -8.686 5.448 6.415 1.00 0.00 O ATOM 520 CB ASN A 742 -11.770 6.153 5.988 1.00 0.00 C ATOM 521 CG ASN A 742 -13.133 5.851 5.396 1.00 0.00 C ATOM 522 OD1 ASN A 742 -13.374 6.083 4.211 1.00 0.00 O ATOM 523 ND2 ASN A 742 -14.034 5.330 6.222 1.00 0.00 N ATOM 0 H ASN A 742 -10.948 3.780 5.484 1.00 0.00 H new ATOM 0 HA ASN A 742 -10.759 6.359 4.103 1.00 0.00 H new ATOM 0 HB2 ASN A 742 -11.647 5.594 6.915 1.00 0.00 H new ATOM 0 HB3 ASN A 742 -11.714 7.211 6.244 1.00 0.00 H new ATOM 0 HD21 ASN A 742 -14.969 5.106 5.881 1.00 0.00 H new ATOM 0 HD22 ASN A 742 -13.791 5.154 7.197 1.00 0.00 H new ATOM 530 N PRO A 743 -8.819 7.408 5.313 1.00 0.00 N ATOM 531 CA PRO A 743 -7.549 7.933 5.825 1.00 0.00 C ATOM 532 C PRO A 743 -7.617 8.265 7.311 1.00 0.00 C ATOM 533 O PRO A 743 -6.596 8.537 7.943 1.00 0.00 O ATOM 534 CB PRO A 743 -7.333 9.205 5.002 1.00 0.00 C ATOM 535 CG PRO A 743 -8.701 9.625 4.588 1.00 0.00 C ATOM 536 CD PRO A 743 -9.487 8.356 4.406 1.00 0.00 C ATOM 0 HA PRO A 743 -6.741 7.207 5.733 1.00 0.00 H new ATOM 0 HB2 PRO A 743 -6.843 9.980 5.592 1.00 0.00 H new ATOM 0 HB3 PRO A 743 -6.699 9.014 4.136 1.00 0.00 H new ATOM 0 HG2 PRO A 743 -9.159 10.263 5.344 1.00 0.00 H new ATOM 0 HG3 PRO A 743 -8.669 10.200 3.663 1.00 0.00 H new ATOM 0 HD2 PRO A 743 -10.536 8.492 4.669 1.00 0.00 H new ATOM 0 HD3 PRO A 743 -9.459 8.011 3.372 1.00 0.00 H new ATOM 544 N ARG A 744 -8.825 8.241 7.864 1.00 0.00 N ATOM 545 CA ARG A 744 -9.026 8.541 9.277 1.00 0.00 C ATOM 546 C ARG A 744 -8.370 7.480 10.156 1.00 0.00 C ATOM 547 O ARG A 744 -7.811 7.790 11.207 1.00 0.00 O ATOM 548 CB ARG A 744 -10.520 8.629 9.594 1.00 0.00 C ATOM 549 CG ARG A 744 -11.210 7.277 9.658 1.00 0.00 C ATOM 550 CD ARG A 744 -11.162 6.692 11.061 1.00 0.00 C ATOM 551 NE ARG A 744 -12.179 5.663 11.260 1.00 0.00 N ATOM 552 CZ ARG A 744 -12.519 5.186 12.452 1.00 0.00 C ATOM 553 NH1 ARG A 744 -11.926 5.644 13.546 1.00 0.00 N ATOM 554 NH2 ARG A 744 -13.454 4.250 12.552 1.00 0.00 N ATOM 0 H ARG A 744 -9.680 8.017 7.355 1.00 0.00 H new ATOM 0 HA ARG A 744 -8.560 9.503 9.489 1.00 0.00 H new ATOM 0 HB2 ARG A 744 -10.651 9.140 10.548 1.00 0.00 H new ATOM 0 HB3 ARG A 744 -11.008 9.241 8.836 1.00 0.00 H new ATOM 0 HG2 ARG A 744 -12.248 7.382 9.342 1.00 0.00 H new ATOM 0 HG3 ARG A 744 -10.732 6.590 8.960 1.00 0.00 H new ATOM 0 HD2 ARG A 744 -10.175 6.266 11.243 1.00 0.00 H new ATOM 0 HD3 ARG A 744 -11.305 7.489 11.791 1.00 0.00 H new ATOM 0 HE ARG A 744 -12.654 5.290 10.438 1.00 0.00 H new ATOM 0 HH11 ARG A 744 -11.207 6.364 13.473 1.00 0.00 H new ATOM 0 HH12 ARG A 744 -12.189 5.276 14.460 1.00 0.00 H new ATOM 0 HH21 ARG A 744 -13.913 3.896 11.713 1.00 0.00 H new ATOM 0 HH22 ARG A 744 -13.714 3.885 13.468 1.00 0.00 H new ATOM 568 N ALA A 745 -8.444 6.227 9.718 1.00 0.00 N ATOM 569 CA ALA A 745 -7.856 5.121 10.463 1.00 0.00 C ATOM 570 C ALA A 745 -6.342 5.268 10.560 1.00 0.00 C ATOM 571 O ALA A 745 -5.738 6.070 9.848 1.00 0.00 O ATOM 572 CB ALA A 745 -8.220 3.794 9.814 1.00 0.00 C ATOM 0 H ALA A 745 -8.906 5.953 8.851 1.00 0.00 H new ATOM 0 HA ALA A 745 -8.262 5.141 11.475 1.00 0.00 H new ATOM 0 HB1 ALA A 745 -7.774 2.977 10.381 1.00 0.00 H new ATOM 0 HB2 ALA A 745 -9.304 3.679 9.804 1.00 0.00 H new ATOM 0 HB3 ALA A 745 -7.843 3.774 8.791 1.00 0.00 H new ATOM 578 N THR A 746 -5.732 4.487 11.447 1.00 0.00 N ATOM 579 CA THR A 746 -4.288 4.531 11.639 1.00 0.00 C ATOM 580 C THR A 746 -3.621 3.276 11.088 1.00 0.00 C ATOM 581 O THR A 746 -4.286 2.276 10.816 1.00 0.00 O ATOM 582 CB THR A 746 -3.923 4.680 13.128 1.00 0.00 C ATOM 583 OG1 THR A 746 -2.514 4.896 13.268 1.00 0.00 O ATOM 584 CG2 THR A 746 -4.332 3.443 13.912 1.00 0.00 C ATOM 0 H THR A 746 -6.216 3.816 12.044 1.00 0.00 H new ATOM 0 HA THR A 746 -3.924 5.402 11.094 1.00 0.00 H new ATOM 0 HB THR A 746 -4.463 5.538 13.527 1.00 0.00 H new ATOM 0 HG1 THR A 746 -2.290 4.991 14.217 1.00 0.00 H new ATOM 0 HG21 THR A 746 -4.064 3.572 14.961 1.00 0.00 H new ATOM 0 HG22 THR A 746 -5.409 3.299 13.828 1.00 0.00 H new ATOM 0 HG23 THR A 746 -3.816 2.571 13.510 1.00 0.00 H new ATOM 592 N PHE A 747 -2.304 3.334 10.925 1.00 0.00 N ATOM 593 CA PHE A 747 -1.547 2.201 10.406 1.00 0.00 C ATOM 594 C PHE A 747 -1.799 0.949 11.241 1.00 0.00 C ATOM 595 O PHE A 747 -2.046 -0.130 10.704 1.00 0.00 O ATOM 596 CB PHE A 747 -0.051 2.524 10.389 1.00 0.00 C ATOM 597 CG PHE A 747 0.824 1.307 10.288 1.00 0.00 C ATOM 598 CD1 PHE A 747 0.528 0.297 9.386 1.00 0.00 C ATOM 599 CD2 PHE A 747 1.941 1.172 11.096 1.00 0.00 C ATOM 600 CE1 PHE A 747 1.332 -0.823 9.291 1.00 0.00 C ATOM 601 CE2 PHE A 747 2.748 0.054 11.005 1.00 0.00 C ATOM 602 CZ PHE A 747 2.443 -0.945 10.102 1.00 0.00 C ATOM 0 H PHE A 747 -1.738 4.154 11.145 1.00 0.00 H new ATOM 0 HA PHE A 747 -1.882 2.010 9.387 1.00 0.00 H new ATOM 0 HB2 PHE A 747 0.160 3.184 9.548 1.00 0.00 H new ATOM 0 HB3 PHE A 747 0.205 3.071 11.296 1.00 0.00 H new ATOM 0 HD1 PHE A 747 -0.341 0.386 8.750 1.00 0.00 H new ATOM 0 HD2 PHE A 747 2.184 1.949 11.805 1.00 0.00 H new ATOM 0 HE1 PHE A 747 1.092 -1.602 8.583 1.00 0.00 H new ATOM 0 HE2 PHE A 747 3.617 -0.038 11.640 1.00 0.00 H new ATOM 0 HZ PHE A 747 3.072 -1.820 10.030 1.00 0.00 H new ATOM 612 N SER A 748 -1.734 1.103 12.560 1.00 0.00 N ATOM 613 CA SER A 748 -1.951 -0.015 13.471 1.00 0.00 C ATOM 614 C SER A 748 -3.274 -0.712 13.171 1.00 0.00 C ATOM 615 O SER A 748 -3.304 -1.904 12.867 1.00 0.00 O ATOM 616 CB SER A 748 -1.935 0.472 14.922 1.00 0.00 C ATOM 617 OG SER A 748 -1.510 -0.556 15.800 1.00 0.00 O ATOM 0 H SER A 748 -1.533 1.990 13.021 1.00 0.00 H new ATOM 0 HA SER A 748 -1.143 -0.732 13.326 1.00 0.00 H new ATOM 0 HB2 SER A 748 -1.270 1.331 15.013 1.00 0.00 H new ATOM 0 HB3 SER A 748 -2.932 0.809 15.207 1.00 0.00 H new ATOM 0 HG SER A 748 -1.507 -0.219 16.720 1.00 0.00 H new ATOM 623 N GLU A 749 -4.366 0.041 13.259 1.00 0.00 N ATOM 624 CA GLU A 749 -5.692 -0.505 12.997 1.00 0.00 C ATOM 625 C GLU A 749 -5.744 -1.176 11.628 1.00 0.00 C ATOM 626 O GLU A 749 -6.322 -2.252 11.473 1.00 0.00 O ATOM 627 CB GLU A 749 -6.748 0.600 13.076 1.00 0.00 C ATOM 628 CG GLU A 749 -7.276 0.838 14.480 1.00 0.00 C ATOM 629 CD GLU A 749 -8.433 -0.077 14.832 1.00 0.00 C ATOM 630 OE1 GLU A 749 -9.535 0.119 14.278 1.00 0.00 O ATOM 631 OE2 GLU A 749 -8.235 -0.991 15.660 1.00 0.00 O ATOM 0 H GLU A 749 -4.358 1.030 13.509 1.00 0.00 H new ATOM 0 HA GLU A 749 -5.904 -1.256 13.758 1.00 0.00 H new ATOM 0 HB2 GLU A 749 -6.320 1.528 12.696 1.00 0.00 H new ATOM 0 HB3 GLU A 749 -7.581 0.342 12.422 1.00 0.00 H new ATOM 0 HG2 GLU A 749 -6.469 0.689 15.197 1.00 0.00 H new ATOM 0 HG3 GLU A 749 -7.597 1.875 14.572 1.00 0.00 H new ATOM 638 N PHE A 750 -5.136 -0.533 10.636 1.00 0.00 N ATOM 639 CA PHE A 750 -5.114 -1.065 9.279 1.00 0.00 C ATOM 640 C PHE A 750 -4.408 -2.417 9.237 1.00 0.00 C ATOM 641 O PHE A 750 -4.849 -3.339 8.551 1.00 0.00 O ATOM 642 CB PHE A 750 -4.417 -0.084 8.335 1.00 0.00 C ATOM 643 CG PHE A 750 -3.963 -0.710 7.047 1.00 0.00 C ATOM 644 CD1 PHE A 750 -4.886 -1.179 6.126 1.00 0.00 C ATOM 645 CD2 PHE A 750 -2.613 -0.831 6.759 1.00 0.00 C ATOM 646 CE1 PHE A 750 -4.471 -1.756 4.940 1.00 0.00 C ATOM 647 CE2 PHE A 750 -2.193 -1.407 5.575 1.00 0.00 C ATOM 648 CZ PHE A 750 -3.123 -1.871 4.665 1.00 0.00 C ATOM 0 H PHE A 750 -4.652 0.358 10.747 1.00 0.00 H new ATOM 0 HA PHE A 750 -6.145 -1.202 8.952 1.00 0.00 H new ATOM 0 HB2 PHE A 750 -5.098 0.737 8.110 1.00 0.00 H new ATOM 0 HB3 PHE A 750 -3.555 0.347 8.844 1.00 0.00 H new ATOM 0 HD1 PHE A 750 -5.942 -1.093 6.337 1.00 0.00 H new ATOM 0 HD2 PHE A 750 -1.881 -0.471 7.467 1.00 0.00 H new ATOM 0 HE1 PHE A 750 -5.200 -2.116 4.230 1.00 0.00 H new ATOM 0 HE2 PHE A 750 -1.138 -1.494 5.361 1.00 0.00 H new ATOM 0 HZ PHE A 750 -2.796 -2.323 3.740 1.00 0.00 H new ATOM 658 N ALA A 751 -3.308 -2.527 9.976 1.00 0.00 N ATOM 659 CA ALA A 751 -2.541 -3.766 10.024 1.00 0.00 C ATOM 660 C ALA A 751 -3.383 -4.912 10.575 1.00 0.00 C ATOM 661 O ALA A 751 -3.554 -5.939 9.920 1.00 0.00 O ATOM 662 CB ALA A 751 -1.288 -3.577 10.866 1.00 0.00 C ATOM 0 H ALA A 751 -2.929 -1.773 10.549 1.00 0.00 H new ATOM 0 HA ALA A 751 -2.247 -4.023 9.006 1.00 0.00 H new ATOM 0 HB1 ALA A 751 -0.724 -4.509 10.894 1.00 0.00 H new ATOM 0 HB2 ALA A 751 -0.671 -2.793 10.428 1.00 0.00 H new ATOM 0 HB3 ALA A 751 -1.570 -3.293 11.880 1.00 0.00 H new ATOM 668 N ALA A 752 -3.907 -4.728 11.783 1.00 0.00 N ATOM 669 CA ALA A 752 -4.732 -5.746 12.421 1.00 0.00 C ATOM 670 C ALA A 752 -5.991 -6.021 11.606 1.00 0.00 C ATOM 671 O ALA A 752 -6.324 -7.174 11.327 1.00 0.00 O ATOM 672 CB ALA A 752 -5.099 -5.319 13.834 1.00 0.00 C ATOM 0 H ALA A 752 -3.774 -3.883 12.339 1.00 0.00 H new ATOM 0 HA ALA A 752 -4.154 -6.669 12.471 1.00 0.00 H new ATOM 0 HB1 ALA A 752 -5.715 -6.089 14.298 1.00 0.00 H new ATOM 0 HB2 ALA A 752 -4.190 -5.180 14.420 1.00 0.00 H new ATOM 0 HB3 ALA A 752 -5.655 -4.382 13.798 1.00 0.00 H new ATOM 678 N LYS A 753 -6.690 -4.957 11.227 1.00 0.00 N ATOM 679 CA LYS A 753 -7.914 -5.082 10.444 1.00 0.00 C ATOM 680 C LYS A 753 -7.674 -5.920 9.192 1.00 0.00 C ATOM 681 O LYS A 753 -8.491 -6.770 8.835 1.00 0.00 O ATOM 682 CB LYS A 753 -8.438 -3.699 10.053 1.00 0.00 C ATOM 683 CG LYS A 753 -9.186 -2.993 11.171 1.00 0.00 C ATOM 684 CD LYS A 753 -10.088 -1.896 10.632 1.00 0.00 C ATOM 685 CE LYS A 753 -11.404 -2.458 10.118 1.00 0.00 C ATOM 686 NZ LYS A 753 -12.287 -1.391 9.571 1.00 0.00 N ATOM 0 H LYS A 753 -6.429 -3.996 11.450 1.00 0.00 H new ATOM 0 HA LYS A 753 -8.660 -5.585 11.059 1.00 0.00 H new ATOM 0 HB2 LYS A 753 -7.599 -3.077 9.739 1.00 0.00 H new ATOM 0 HB3 LYS A 753 -9.099 -3.800 9.192 1.00 0.00 H new ATOM 0 HG2 LYS A 753 -9.783 -3.717 11.724 1.00 0.00 H new ATOM 0 HG3 LYS A 753 -8.472 -2.565 11.874 1.00 0.00 H new ATOM 0 HD2 LYS A 753 -10.285 -1.167 11.418 1.00 0.00 H new ATOM 0 HD3 LYS A 753 -9.578 -1.367 9.827 1.00 0.00 H new ATOM 0 HE2 LYS A 753 -11.205 -3.198 9.342 1.00 0.00 H new ATOM 0 HE3 LYS A 753 -11.919 -2.976 10.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 753 -13.174 -1.815 9.231 1.00 0.00 H new ATOM 0 HZ2 LYS A 753 -12.498 -0.698 10.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 753 -11.807 -0.914 8.782 1.00 0.00 H new ATOM 700 N HIS A 754 -6.548 -5.676 8.528 1.00 0.00 N ATOM 701 CA HIS A 754 -6.200 -6.409 7.317 1.00 0.00 C ATOM 702 C HIS A 754 -5.017 -7.339 7.566 1.00 0.00 C ATOM 703 O HIS A 754 -4.277 -7.678 6.643 1.00 0.00 O ATOM 704 CB HIS A 754 -5.870 -5.437 6.184 1.00 0.00 C ATOM 705 CG HIS A 754 -7.080 -4.815 5.557 1.00 0.00 C ATOM 706 ND1 HIS A 754 -7.947 -5.511 4.742 1.00 0.00 N ATOM 707 CD2 HIS A 754 -7.566 -3.554 5.631 1.00 0.00 C ATOM 708 CE1 HIS A 754 -8.914 -4.705 4.340 1.00 0.00 C ATOM 709 NE2 HIS A 754 -8.706 -3.511 4.866 1.00 0.00 N ATOM 0 H HIS A 754 -5.861 -4.976 8.809 1.00 0.00 H new ATOM 0 HA HIS A 754 -7.060 -7.013 7.028 1.00 0.00 H new ATOM 0 HB2 HIS A 754 -5.225 -4.648 6.570 1.00 0.00 H new ATOM 0 HB3 HIS A 754 -5.304 -5.965 5.417 1.00 0.00 H new ATOM 0 HD2 HIS A 754 -7.137 -2.734 6.188 1.00 0.00 H new ATOM 0 HE1 HIS A 754 -9.734 -4.976 3.692 1.00 0.00 H new ATOM 0 HE2 HIS A 754 -9.296 -2.691 4.727 1.00 0.00 H new ATOM 717 N ALA A 755 -4.845 -7.748 8.818 1.00 0.00 N ATOM 718 CA ALA A 755 -3.753 -8.640 9.188 1.00 0.00 C ATOM 719 C ALA A 755 -4.054 -10.077 8.777 1.00 0.00 C ATOM 720 O ALA A 755 -3.146 -10.847 8.463 1.00 0.00 O ATOM 721 CB ALA A 755 -3.490 -8.561 10.685 1.00 0.00 C ATOM 0 H ALA A 755 -5.448 -7.476 9.594 1.00 0.00 H new ATOM 0 HA ALA A 755 -2.858 -8.318 8.656 1.00 0.00 H new ATOM 0 HB1 ALA A 755 -2.672 -9.232 10.947 1.00 0.00 H new ATOM 0 HB2 ALA A 755 -3.221 -7.539 10.954 1.00 0.00 H new ATOM 0 HB3 ALA A 755 -4.388 -8.855 11.228 1.00 0.00 H new ATOM 727 N LYS A 756 -5.334 -10.433 8.782 1.00 0.00 N ATOM 728 CA LYS A 756 -5.756 -11.777 8.409 1.00 0.00 C ATOM 729 C LYS A 756 -5.637 -11.987 6.903 1.00 0.00 C ATOM 730 O LYS A 756 -5.470 -13.114 6.436 1.00 0.00 O ATOM 731 CB LYS A 756 -7.199 -12.023 8.856 1.00 0.00 C ATOM 732 CG LYS A 756 -7.365 -12.098 10.364 1.00 0.00 C ATOM 733 CD LYS A 756 -8.662 -12.789 10.750 1.00 0.00 C ATOM 734 CE LYS A 756 -9.828 -11.813 10.775 1.00 0.00 C ATOM 735 NZ LYS A 756 -9.969 -11.152 12.102 1.00 0.00 N ATOM 0 H LYS A 756 -6.098 -9.808 9.041 1.00 0.00 H new ATOM 0 HA LYS A 756 -5.100 -12.489 8.910 1.00 0.00 H new ATOM 0 HB2 LYS A 756 -7.831 -11.224 8.469 1.00 0.00 H new ATOM 0 HB3 LYS A 756 -7.554 -12.954 8.413 1.00 0.00 H new ATOM 0 HG2 LYS A 756 -6.522 -12.637 10.797 1.00 0.00 H new ATOM 0 HG3 LYS A 756 -7.349 -11.092 10.783 1.00 0.00 H new ATOM 0 HD2 LYS A 756 -8.873 -13.591 10.042 1.00 0.00 H new ATOM 0 HD3 LYS A 756 -8.551 -13.251 11.731 1.00 0.00 H new ATOM 0 HE2 LYS A 756 -9.684 -11.055 10.005 1.00 0.00 H new ATOM 0 HE3 LYS A 756 -10.750 -12.342 10.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 756 -10.774 -10.495 12.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 756 -10.132 -11.873 12.833 1.00 0.00 H new ATOM 0 HZ3 LYS A 756 -9.099 -10.626 12.322 1.00 0.00 H new ATOM 749 N ASP A 757 -5.722 -10.897 6.150 1.00 0.00 N ATOM 750 CA ASP A 757 -5.620 -10.961 4.697 1.00 0.00 C ATOM 751 C ASP A 757 -4.272 -11.534 4.271 1.00 0.00 C ATOM 752 O ASP A 757 -3.259 -10.834 4.277 1.00 0.00 O ATOM 753 CB ASP A 757 -5.813 -9.571 4.088 1.00 0.00 C ATOM 754 CG ASP A 757 -5.480 -9.535 2.610 1.00 0.00 C ATOM 755 OD1 ASP A 757 -6.150 -10.248 1.834 1.00 0.00 O ATOM 756 OD2 ASP A 757 -4.549 -8.795 2.229 1.00 0.00 O ATOM 0 H ASP A 757 -5.861 -9.957 6.522 1.00 0.00 H new ATOM 0 HA ASP A 757 -6.407 -11.621 4.332 1.00 0.00 H new ATOM 0 HB2 ASP A 757 -6.846 -9.255 4.232 1.00 0.00 H new ATOM 0 HB3 ASP A 757 -5.183 -8.855 4.617 1.00 0.00 H new ATOM 761 N SER A 758 -4.267 -12.811 3.904 1.00 0.00 N ATOM 762 CA SER A 758 -3.042 -13.480 3.480 1.00 0.00 C ATOM 763 C SER A 758 -2.129 -12.515 2.729 1.00 0.00 C ATOM 764 O SER A 758 -1.004 -12.250 3.154 1.00 0.00 O ATOM 765 CB SER A 758 -3.372 -14.682 2.593 1.00 0.00 C ATOM 766 OG SER A 758 -3.843 -15.772 3.367 1.00 0.00 O ATOM 0 H SER A 758 -5.097 -13.404 3.892 1.00 0.00 H new ATOM 0 HA SER A 758 -2.520 -13.828 4.371 1.00 0.00 H new ATOM 0 HB2 SER A 758 -4.127 -14.400 1.859 1.00 0.00 H new ATOM 0 HB3 SER A 758 -2.484 -14.983 2.038 1.00 0.00 H new ATOM 0 HG SER A 758 -4.049 -16.527 2.777 1.00 0.00 H new ATOM 772 N ARG A 759 -2.621 -11.994 1.610 1.00 0.00 N ATOM 773 CA ARG A 759 -1.850 -11.060 0.798 1.00 0.00 C ATOM 774 C ARG A 759 -1.169 -10.013 1.674 1.00 0.00 C ATOM 775 O ARG A 759 0.042 -9.812 1.591 1.00 0.00 O ATOM 776 CB ARG A 759 -2.756 -10.374 -0.226 1.00 0.00 C ATOM 777 CG ARG A 759 -3.448 -11.342 -1.172 1.00 0.00 C ATOM 778 CD ARG A 759 -4.151 -10.608 -2.304 1.00 0.00 C ATOM 779 NE ARG A 759 -4.931 -11.514 -3.143 1.00 0.00 N ATOM 780 CZ ARG A 759 -5.667 -11.111 -4.172 1.00 0.00 C ATOM 781 NH1 ARG A 759 -5.723 -9.825 -4.489 1.00 0.00 N ATOM 782 NH2 ARG A 759 -6.349 -11.996 -4.888 1.00 0.00 N ATOM 0 H ARG A 759 -3.550 -12.203 1.245 1.00 0.00 H new ATOM 0 HA ARG A 759 -1.080 -11.624 0.271 1.00 0.00 H new ATOM 0 HB2 ARG A 759 -3.512 -9.792 0.302 1.00 0.00 H new ATOM 0 HB3 ARG A 759 -2.163 -9.670 -0.810 1.00 0.00 H new ATOM 0 HG2 ARG A 759 -2.715 -12.035 -1.586 1.00 0.00 H new ATOM 0 HG3 ARG A 759 -4.173 -11.938 -0.618 1.00 0.00 H new ATOM 0 HD2 ARG A 759 -4.808 -9.844 -1.888 1.00 0.00 H new ATOM 0 HD3 ARG A 759 -3.411 -10.093 -2.917 1.00 0.00 H new ATOM 0 HE ARG A 759 -4.909 -12.511 -2.927 1.00 0.00 H new ATOM 0 HH11 ARG A 759 -5.200 -9.142 -3.942 1.00 0.00 H new ATOM 0 HH12 ARG A 759 -6.289 -9.519 -5.280 1.00 0.00 H new ATOM 0 HH21 ARG A 759 -6.308 -12.987 -4.648 1.00 0.00 H new ATOM 0 HH22 ARG A 759 -6.914 -11.686 -5.678 1.00 0.00 H new ATOM 796 N PHE A 760 -1.957 -9.347 2.512 1.00 0.00 N ATOM 797 CA PHE A 760 -1.431 -8.318 3.402 1.00 0.00 C ATOM 798 C PHE A 760 -0.246 -8.848 4.204 1.00 0.00 C ATOM 799 O PHE A 760 0.766 -8.165 4.364 1.00 0.00 O ATOM 800 CB PHE A 760 -2.525 -7.827 4.351 1.00 0.00 C ATOM 801 CG PHE A 760 -1.995 -7.079 5.541 1.00 0.00 C ATOM 802 CD1 PHE A 760 -1.427 -7.758 6.607 1.00 0.00 C ATOM 803 CD2 PHE A 760 -2.065 -5.696 5.594 1.00 0.00 C ATOM 804 CE1 PHE A 760 -0.938 -7.073 7.703 1.00 0.00 C ATOM 805 CE2 PHE A 760 -1.578 -5.005 6.687 1.00 0.00 C ATOM 806 CZ PHE A 760 -1.015 -5.694 7.743 1.00 0.00 C ATOM 0 H PHE A 760 -2.962 -9.501 2.593 1.00 0.00 H new ATOM 0 HA PHE A 760 -1.089 -7.483 2.790 1.00 0.00 H new ATOM 0 HB2 PHE A 760 -3.209 -7.181 3.801 1.00 0.00 H new ATOM 0 HB3 PHE A 760 -3.105 -8.682 4.698 1.00 0.00 H new ATOM 0 HD1 PHE A 760 -1.366 -8.836 6.581 1.00 0.00 H new ATOM 0 HD2 PHE A 760 -2.505 -5.152 4.771 1.00 0.00 H new ATOM 0 HE1 PHE A 760 -0.497 -7.614 8.527 1.00 0.00 H new ATOM 0 HE2 PHE A 760 -1.638 -3.927 6.715 1.00 0.00 H new ATOM 0 HZ PHE A 760 -0.635 -5.156 8.599 1.00 0.00 H new ATOM 816 N LYS A 761 -0.379 -10.070 4.708 1.00 0.00 N ATOM 817 CA LYS A 761 0.679 -10.694 5.493 1.00 0.00 C ATOM 818 C LYS A 761 1.996 -10.702 4.723 1.00 0.00 C ATOM 819 O LYS A 761 3.071 -10.588 5.312 1.00 0.00 O ATOM 820 CB LYS A 761 0.288 -12.125 5.869 1.00 0.00 C ATOM 821 CG LYS A 761 -1.015 -12.215 6.645 1.00 0.00 C ATOM 822 CD LYS A 761 -1.381 -13.657 6.954 1.00 0.00 C ATOM 823 CE LYS A 761 -0.522 -14.223 8.074 1.00 0.00 C ATOM 824 NZ LYS A 761 -1.069 -13.887 9.417 1.00 0.00 N ATOM 0 H LYS A 761 -1.210 -10.648 4.587 1.00 0.00 H new ATOM 0 HA LYS A 761 0.814 -10.109 6.403 1.00 0.00 H new ATOM 0 HB2 LYS A 761 0.202 -12.720 4.960 1.00 0.00 H new ATOM 0 HB3 LYS A 761 1.087 -12.567 6.464 1.00 0.00 H new ATOM 0 HG2 LYS A 761 -0.925 -11.654 7.575 1.00 0.00 H new ATOM 0 HG3 LYS A 761 -1.816 -11.751 6.069 1.00 0.00 H new ATOM 0 HD2 LYS A 761 -2.432 -13.714 7.236 1.00 0.00 H new ATOM 0 HD3 LYS A 761 -1.258 -14.265 6.057 1.00 0.00 H new ATOM 0 HE2 LYS A 761 -0.456 -15.306 7.969 1.00 0.00 H new ATOM 0 HE3 LYS A 761 0.492 -13.832 7.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 761 -0.455 -14.291 10.153 1.00 0.00 H new ATOM 0 HZ2 LYS A 761 -1.108 -12.854 9.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 761 -2.027 -14.282 9.510 1.00 0.00 H new ATOM 838 N ALA A 762 1.904 -10.835 3.404 1.00 0.00 N ATOM 839 CA ALA A 762 3.088 -10.854 2.554 1.00 0.00 C ATOM 840 C ALA A 762 4.103 -9.809 3.003 1.00 0.00 C ATOM 841 O ALA A 762 5.310 -10.051 2.975 1.00 0.00 O ATOM 842 CB ALA A 762 2.698 -10.623 1.101 1.00 0.00 C ATOM 0 H ALA A 762 1.022 -10.931 2.901 1.00 0.00 H new ATOM 0 HA ALA A 762 3.553 -11.836 2.643 1.00 0.00 H new ATOM 0 HB1 ALA A 762 3.592 -10.640 0.477 1.00 0.00 H new ATOM 0 HB2 ALA A 762 2.015 -11.409 0.778 1.00 0.00 H new ATOM 0 HB3 ALA A 762 2.207 -9.655 1.006 1.00 0.00 H new ATOM 848 N ILE A 763 3.607 -8.648 3.417 1.00 0.00 N ATOM 849 CA ILE A 763 4.472 -7.567 3.873 1.00 0.00 C ATOM 850 C ILE A 763 4.691 -7.636 5.380 1.00 0.00 C ATOM 851 O ILE A 763 3.808 -7.283 6.161 1.00 0.00 O ATOM 852 CB ILE A 763 3.887 -6.188 3.513 1.00 0.00 C ATOM 853 CG1 ILE A 763 3.363 -6.192 2.075 1.00 0.00 C ATOM 854 CG2 ILE A 763 4.938 -5.104 3.696 1.00 0.00 C ATOM 855 CD1 ILE A 763 4.458 -6.211 1.032 1.00 0.00 C ATOM 0 H ILE A 763 2.611 -8.432 3.446 1.00 0.00 H new ATOM 0 HA ILE A 763 5.428 -7.692 3.364 1.00 0.00 H new ATOM 0 HB ILE A 763 3.054 -5.976 4.183 1.00 0.00 H new ATOM 0 HG12 ILE A 763 2.722 -7.062 1.933 1.00 0.00 H new ATOM 0 HG13 ILE A 763 2.741 -5.310 1.921 1.00 0.00 H new ATOM 0 HG21 ILE A 763 4.510 -4.135 3.438 1.00 0.00 H new ATOM 0 HG22 ILE A 763 5.269 -5.090 4.734 1.00 0.00 H new ATOM 0 HG23 ILE A 763 5.789 -5.309 3.047 1.00 0.00 H new ATOM 0 HD11 ILE A 763 4.013 -6.213 0.037 1.00 0.00 H new ATOM 0 HD12 ILE A 763 5.085 -5.327 1.147 1.00 0.00 H new ATOM 0 HD13 ILE A 763 5.066 -7.107 1.159 1.00 0.00 H new ATOM 867 N GLU A 764 5.873 -8.092 5.781 1.00 0.00 N ATOM 868 CA GLU A 764 6.208 -8.206 7.196 1.00 0.00 C ATOM 869 C GLU A 764 7.053 -7.021 7.652 1.00 0.00 C ATOM 870 O GLU A 764 6.950 -6.573 8.795 1.00 0.00 O ATOM 871 CB GLU A 764 6.958 -9.513 7.462 1.00 0.00 C ATOM 872 CG GLU A 764 7.936 -9.429 8.621 1.00 0.00 C ATOM 873 CD GLU A 764 8.171 -10.772 9.285 1.00 0.00 C ATOM 874 OE1 GLU A 764 8.309 -11.778 8.558 1.00 0.00 O ATOM 875 OE2 GLU A 764 8.217 -10.817 10.532 1.00 0.00 O ATOM 0 H GLU A 764 6.615 -8.388 5.147 1.00 0.00 H new ATOM 0 HA GLU A 764 5.278 -8.207 7.764 1.00 0.00 H new ATOM 0 HB2 GLU A 764 6.234 -10.302 7.665 1.00 0.00 H new ATOM 0 HB3 GLU A 764 7.500 -9.801 6.561 1.00 0.00 H new ATOM 0 HG2 GLU A 764 8.886 -9.034 8.262 1.00 0.00 H new ATOM 0 HG3 GLU A 764 7.557 -8.724 9.361 1.00 0.00 H new ATOM 882 N LYS A 765 7.889 -6.516 6.752 1.00 0.00 N ATOM 883 CA LYS A 765 8.752 -5.382 7.059 1.00 0.00 C ATOM 884 C LYS A 765 7.931 -4.183 7.523 1.00 0.00 C ATOM 885 O LYS A 765 7.470 -3.382 6.710 1.00 0.00 O ATOM 886 CB LYS A 765 9.584 -5.000 5.833 1.00 0.00 C ATOM 887 CG LYS A 765 10.546 -6.087 5.388 1.00 0.00 C ATOM 888 CD LYS A 765 11.856 -6.019 6.155 1.00 0.00 C ATOM 889 CE LYS A 765 12.909 -6.931 5.542 1.00 0.00 C ATOM 890 NZ LYS A 765 14.260 -6.681 6.114 1.00 0.00 N ATOM 0 H LYS A 765 7.987 -6.875 5.802 1.00 0.00 H new ATOM 0 HA LYS A 765 9.422 -5.676 7.867 1.00 0.00 H new ATOM 0 HB2 LYS A 765 8.912 -4.761 5.009 1.00 0.00 H new ATOM 0 HB3 LYS A 765 10.149 -4.095 6.056 1.00 0.00 H new ATOM 0 HG2 LYS A 765 10.086 -7.064 5.536 1.00 0.00 H new ATOM 0 HG3 LYS A 765 10.742 -5.986 4.321 1.00 0.00 H new ATOM 0 HD2 LYS A 765 12.222 -4.992 6.162 1.00 0.00 H new ATOM 0 HD3 LYS A 765 11.686 -6.304 7.193 1.00 0.00 H new ATOM 0 HE2 LYS A 765 12.630 -7.971 5.710 1.00 0.00 H new ATOM 0 HE3 LYS A 765 12.938 -6.779 4.463 1.00 0.00 H new ATOM 0 HZ1 LYS A 765 14.949 -7.322 5.671 1.00 0.00 H new ATOM 0 HZ2 LYS A 765 14.537 -5.695 5.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 765 14.240 -6.851 7.140 1.00 0.00 H new ATOM 904 N MET A 766 7.753 -4.065 8.835 1.00 0.00 N ATOM 905 CA MET A 766 6.990 -2.962 9.407 1.00 0.00 C ATOM 906 C MET A 766 7.335 -1.647 8.716 1.00 0.00 C ATOM 907 O MET A 766 6.452 -0.847 8.402 1.00 0.00 O ATOM 908 CB MET A 766 7.261 -2.850 10.908 1.00 0.00 C ATOM 909 CG MET A 766 6.543 -1.685 11.570 1.00 0.00 C ATOM 910 SD MET A 766 6.679 -1.716 13.368 1.00 0.00 S ATOM 911 CE MET A 766 6.703 0.037 13.736 1.00 0.00 C ATOM 0 H MET A 766 8.127 -4.720 9.522 1.00 0.00 H new ATOM 0 HA MET A 766 5.931 -3.167 9.251 1.00 0.00 H new ATOM 0 HB2 MET A 766 6.957 -3.777 11.394 1.00 0.00 H new ATOM 0 HB3 MET A 766 8.334 -2.743 11.068 1.00 0.00 H new ATOM 0 HG2 MET A 766 6.955 -0.748 11.194 1.00 0.00 H new ATOM 0 HG3 MET A 766 5.490 -1.705 11.289 1.00 0.00 H new ATOM 0 HE1 MET A 766 6.784 0.182 14.813 1.00 0.00 H new ATOM 0 HE2 MET A 766 7.557 0.501 13.242 1.00 0.00 H new ATOM 0 HE3 MET A 766 5.782 0.497 13.377 1.00 0.00 H new ATOM 921 N LYS A 767 8.624 -1.427 8.481 1.00 0.00 N ATOM 922 CA LYS A 767 9.087 -0.210 7.827 1.00 0.00 C ATOM 923 C LYS A 767 8.346 0.018 6.513 1.00 0.00 C ATOM 924 O LYS A 767 7.822 1.104 6.265 1.00 0.00 O ATOM 925 CB LYS A 767 10.594 -0.286 7.567 1.00 0.00 C ATOM 926 CG LYS A 767 11.150 0.932 6.851 1.00 0.00 C ATOM 927 CD LYS A 767 11.166 2.152 7.756 1.00 0.00 C ATOM 928 CE LYS A 767 11.774 3.358 7.055 1.00 0.00 C ATOM 929 NZ LYS A 767 10.827 3.969 6.082 1.00 0.00 N ATOM 0 H LYS A 767 9.368 -2.077 8.735 1.00 0.00 H new ATOM 0 HA LYS A 767 8.881 0.629 8.491 1.00 0.00 H new ATOM 0 HB2 LYS A 767 11.113 -0.406 8.518 1.00 0.00 H new ATOM 0 HB3 LYS A 767 10.807 -1.175 6.973 1.00 0.00 H new ATOM 0 HG2 LYS A 767 12.162 0.721 6.505 1.00 0.00 H new ATOM 0 HG3 LYS A 767 10.548 1.142 5.967 1.00 0.00 H new ATOM 0 HD2 LYS A 767 10.149 2.387 8.070 1.00 0.00 H new ATOM 0 HD3 LYS A 767 11.735 1.929 8.659 1.00 0.00 H new ATOM 0 HE2 LYS A 767 12.063 4.102 7.797 1.00 0.00 H new ATOM 0 HE3 LYS A 767 12.684 3.056 6.536 1.00 0.00 H new ATOM 0 HZ1 LYS A 767 11.278 4.787 5.625 1.00 0.00 H new ATOM 0 HZ2 LYS A 767 10.571 3.267 5.359 1.00 0.00 H new ATOM 0 HZ3 LYS A 767 9.969 4.280 6.581 1.00 0.00 H new ATOM 943 N ASP A 768 8.304 -1.013 5.676 1.00 0.00 N ATOM 944 CA ASP A 768 7.624 -0.927 4.389 1.00 0.00 C ATOM 945 C ASP A 768 6.148 -0.592 4.576 1.00 0.00 C ATOM 946 O ASP A 768 5.577 0.189 3.814 1.00 0.00 O ATOM 947 CB ASP A 768 7.769 -2.242 3.623 1.00 0.00 C ATOM 948 CG ASP A 768 9.044 -2.299 2.806 1.00 0.00 C ATOM 949 OD1 ASP A 768 10.137 -2.288 3.411 1.00 0.00 O ATOM 950 OD2 ASP A 768 8.951 -2.355 1.562 1.00 0.00 O ATOM 0 H ASP A 768 8.733 -1.919 5.866 1.00 0.00 H new ATOM 0 HA ASP A 768 8.089 -0.127 3.813 1.00 0.00 H new ATOM 0 HB2 ASP A 768 7.755 -3.073 4.328 1.00 0.00 H new ATOM 0 HB3 ASP A 768 6.912 -2.371 2.962 1.00 0.00 H new ATOM 955 N ARG A 769 5.536 -1.187 5.594 1.00 0.00 N ATOM 956 CA ARG A 769 4.125 -0.954 5.880 1.00 0.00 C ATOM 957 C ARG A 769 3.865 0.523 6.162 1.00 0.00 C ATOM 958 O ARG A 769 3.012 1.145 5.529 1.00 0.00 O ATOM 959 CB ARG A 769 3.678 -1.799 7.074 1.00 0.00 C ATOM 960 CG ARG A 769 3.264 -3.212 6.699 1.00 0.00 C ATOM 961 CD ARG A 769 2.787 -3.994 7.912 1.00 0.00 C ATOM 962 NE ARG A 769 3.899 -4.469 8.730 1.00 0.00 N ATOM 963 CZ ARG A 769 3.753 -4.960 9.956 1.00 0.00 C ATOM 964 NH1 ARG A 769 2.548 -5.039 10.503 1.00 0.00 N ATOM 965 NH2 ARG A 769 4.815 -5.372 10.638 1.00 0.00 N ATOM 0 H ARG A 769 5.995 -1.834 6.235 1.00 0.00 H new ATOM 0 HA ARG A 769 3.549 -1.246 5.002 1.00 0.00 H new ATOM 0 HB2 ARG A 769 4.491 -1.848 7.798 1.00 0.00 H new ATOM 0 HB3 ARG A 769 2.842 -1.303 7.567 1.00 0.00 H new ATOM 0 HG2 ARG A 769 2.469 -3.174 5.954 1.00 0.00 H new ATOM 0 HG3 ARG A 769 4.106 -3.729 6.240 1.00 0.00 H new ATOM 0 HD2 ARG A 769 2.136 -3.363 8.517 1.00 0.00 H new ATOM 0 HD3 ARG A 769 2.190 -4.845 7.583 1.00 0.00 H new ATOM 0 HE ARG A 769 4.840 -4.421 8.339 1.00 0.00 H new ATOM 0 HH11 ARG A 769 1.730 -4.722 9.983 1.00 0.00 H new ATOM 0 HH12 ARG A 769 2.439 -5.416 11.444 1.00 0.00 H new ATOM 0 HH21 ARG A 769 5.744 -5.312 10.221 1.00 0.00 H new ATOM 0 HH22 ARG A 769 4.702 -5.749 11.579 1.00 0.00 H new ATOM 979 N GLU A 770 4.605 1.077 7.118 1.00 0.00 N ATOM 980 CA GLU A 770 4.452 2.480 7.484 1.00 0.00 C ATOM 981 C GLU A 770 4.673 3.386 6.276 1.00 0.00 C ATOM 982 O GLU A 770 3.947 4.358 6.074 1.00 0.00 O ATOM 983 CB GLU A 770 5.435 2.849 8.598 1.00 0.00 C ATOM 984 CG GLU A 770 4.941 3.968 9.499 1.00 0.00 C ATOM 985 CD GLU A 770 5.965 4.373 10.541 1.00 0.00 C ATOM 986 OE1 GLU A 770 6.296 3.533 11.404 1.00 0.00 O ATOM 987 OE2 GLU A 770 6.435 5.529 10.495 1.00 0.00 O ATOM 0 H GLU A 770 5.315 0.576 7.652 1.00 0.00 H new ATOM 0 HA GLU A 770 3.433 2.626 7.844 1.00 0.00 H new ATOM 0 HB2 GLU A 770 5.632 1.965 9.205 1.00 0.00 H new ATOM 0 HB3 GLU A 770 6.383 3.146 8.151 1.00 0.00 H new ATOM 0 HG2 GLU A 770 4.686 4.835 8.889 1.00 0.00 H new ATOM 0 HG3 GLU A 770 4.026 3.650 9.999 1.00 0.00 H new ATOM 994 N ALA A 771 5.682 3.058 5.475 1.00 0.00 N ATOM 995 CA ALA A 771 5.999 3.839 4.286 1.00 0.00 C ATOM 996 C ALA A 771 4.910 3.695 3.228 1.00 0.00 C ATOM 997 O ALA A 771 4.203 4.654 2.915 1.00 0.00 O ATOM 998 CB ALA A 771 7.347 3.417 3.720 1.00 0.00 C ATOM 0 H ALA A 771 6.294 2.256 5.628 1.00 0.00 H new ATOM 0 HA ALA A 771 6.052 4.889 4.575 1.00 0.00 H new ATOM 0 HB1 ALA A 771 7.570 4.009 2.832 1.00 0.00 H new ATOM 0 HB2 ALA A 771 8.123 3.579 4.469 1.00 0.00 H new ATOM 0 HB3 ALA A 771 7.315 2.361 3.453 1.00 0.00 H new ATOM 1004 N LEU A 772 4.781 2.492 2.680 1.00 0.00 N ATOM 1005 CA LEU A 772 3.778 2.222 1.656 1.00 0.00 C ATOM 1006 C LEU A 772 2.408 2.738 2.085 1.00 0.00 C ATOM 1007 O LEU A 772 1.635 3.233 1.265 1.00 0.00 O ATOM 1008 CB LEU A 772 3.703 0.721 1.370 1.00 0.00 C ATOM 1009 CG LEU A 772 4.970 0.082 0.800 1.00 0.00 C ATOM 1010 CD1 LEU A 772 4.944 -1.425 1.000 1.00 0.00 C ATOM 1011 CD2 LEU A 772 5.123 0.424 -0.675 1.00 0.00 C ATOM 0 H LEU A 772 5.358 1.688 2.927 1.00 0.00 H new ATOM 0 HA LEU A 772 4.074 2.745 0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 772 3.446 0.207 2.296 1.00 0.00 H new ATOM 0 HB3 LEU A 772 2.885 0.545 0.671 1.00 0.00 H new ATOM 0 HG LEU A 772 5.830 0.484 1.336 1.00 0.00 H new ATOM 0 HD11 LEU A 772 5.853 -1.862 0.588 1.00 0.00 H new ATOM 0 HD12 LEU A 772 4.883 -1.650 2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 772 4.077 -1.845 0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 772 6.030 -0.039 -1.064 1.00 0.00 H new ATOM 0 HD22 LEU A 772 4.260 0.051 -1.226 1.00 0.00 H new ATOM 0 HD23 LEU A 772 5.189 1.506 -0.793 1.00 0.00 H new ATOM 1023 N PHE A 773 2.116 2.621 3.376 1.00 0.00 N ATOM 1024 CA PHE A 773 0.840 3.077 3.915 1.00 0.00 C ATOM 1025 C PHE A 773 0.795 4.600 3.993 1.00 0.00 C ATOM 1026 O PHE A 773 -0.155 5.228 3.530 1.00 0.00 O ATOM 1027 CB PHE A 773 0.604 2.477 5.303 1.00 0.00 C ATOM 1028 CG PHE A 773 -0.656 2.962 5.960 1.00 0.00 C ATOM 1029 CD1 PHE A 773 -1.881 2.399 5.642 1.00 0.00 C ATOM 1030 CD2 PHE A 773 -0.615 3.982 6.898 1.00 0.00 C ATOM 1031 CE1 PHE A 773 -3.042 2.844 6.244 1.00 0.00 C ATOM 1032 CE2 PHE A 773 -1.773 4.432 7.504 1.00 0.00 C ATOM 1033 CZ PHE A 773 -2.988 3.861 7.178 1.00 0.00 C ATOM 0 H PHE A 773 2.745 2.214 4.068 1.00 0.00 H new ATOM 0 HA PHE A 773 0.050 2.742 3.243 1.00 0.00 H new ATOM 0 HB2 PHE A 773 0.565 1.391 5.219 1.00 0.00 H new ATOM 0 HB3 PHE A 773 1.453 2.717 5.943 1.00 0.00 H new ATOM 0 HD1 PHE A 773 -1.929 1.602 4.914 1.00 0.00 H new ATOM 0 HD2 PHE A 773 0.333 4.430 7.158 1.00 0.00 H new ATOM 0 HE1 PHE A 773 -3.991 2.398 5.985 1.00 0.00 H new ATOM 0 HE2 PHE A 773 -1.728 5.229 8.231 1.00 0.00 H new ATOM 0 HZ PHE A 773 -3.894 4.209 7.652 1.00 0.00 H new ATOM 1043 N ASN A 774 1.832 5.187 4.583 1.00 0.00 N ATOM 1044 CA ASN A 774 1.912 6.636 4.724 1.00 0.00 C ATOM 1045 C ASN A 774 1.657 7.327 3.388 1.00 0.00 C ATOM 1046 O ASN A 774 0.925 8.313 3.318 1.00 0.00 O ATOM 1047 CB ASN A 774 3.283 7.042 5.267 1.00 0.00 C ATOM 1048 CG ASN A 774 3.343 6.992 6.782 1.00 0.00 C ATOM 1049 OD1 ASN A 774 2.333 7.181 7.460 1.00 0.00 O ATOM 1050 ND2 ASN A 774 4.530 6.736 7.319 1.00 0.00 N ATOM 0 H ASN A 774 2.628 4.681 4.971 1.00 0.00 H new ATOM 0 HA ASN A 774 1.142 6.950 5.429 1.00 0.00 H new ATOM 0 HB2 ASN A 774 4.045 6.381 4.854 1.00 0.00 H new ATOM 0 HB3 ASN A 774 3.520 8.051 4.930 1.00 0.00 H new ATOM 0 HD21 ASN A 774 4.632 6.689 8.333 1.00 0.00 H new ATOM 0 HD22 ASN A 774 5.340 6.586 6.718 1.00 0.00 H new ATOM 1057 N GLU A 775 2.266 6.801 2.330 1.00 0.00 N ATOM 1058 CA GLU A 775 2.105 7.367 0.996 1.00 0.00 C ATOM 1059 C GLU A 775 0.675 7.183 0.495 1.00 0.00 C ATOM 1060 O GLU A 775 -0.014 8.153 0.180 1.00 0.00 O ATOM 1061 CB GLU A 775 3.087 6.717 0.019 1.00 0.00 C ATOM 1062 CG GLU A 775 4.532 6.768 0.485 1.00 0.00 C ATOM 1063 CD GLU A 775 5.515 6.816 -0.669 1.00 0.00 C ATOM 1064 OE1 GLU A 775 5.100 7.188 -1.787 1.00 0.00 O ATOM 1065 OE2 GLU A 775 6.699 6.482 -0.455 1.00 0.00 O ATOM 0 H GLU A 775 2.875 5.984 2.371 1.00 0.00 H new ATOM 0 HA GLU A 775 2.316 8.435 1.055 1.00 0.00 H new ATOM 0 HB2 GLU A 775 2.800 5.677 -0.134 1.00 0.00 H new ATOM 0 HB3 GLU A 775 3.008 7.215 -0.948 1.00 0.00 H new ATOM 0 HG2 GLU A 775 4.676 7.645 1.117 1.00 0.00 H new ATOM 0 HG3 GLU A 775 4.743 5.894 1.101 1.00 0.00 H new ATOM 1072 N PHE A 776 0.236 5.930 0.425 1.00 0.00 N ATOM 1073 CA PHE A 776 -1.110 5.617 -0.038 1.00 0.00 C ATOM 1074 C PHE A 776 -2.131 6.572 0.572 1.00 0.00 C ATOM 1075 O PHE A 776 -2.779 7.343 -0.137 1.00 0.00 O ATOM 1076 CB PHE A 776 -1.471 4.173 0.315 1.00 0.00 C ATOM 1077 CG PHE A 776 -2.853 3.776 -0.120 1.00 0.00 C ATOM 1078 CD1 PHE A 776 -3.967 4.236 0.563 1.00 0.00 C ATOM 1079 CD2 PHE A 776 -3.037 2.945 -1.213 1.00 0.00 C ATOM 1080 CE1 PHE A 776 -5.240 3.872 0.165 1.00 0.00 C ATOM 1081 CE2 PHE A 776 -4.308 2.578 -1.616 1.00 0.00 C ATOM 1082 CZ PHE A 776 -5.410 3.043 -0.927 1.00 0.00 C ATOM 0 H PHE A 776 0.793 5.116 0.683 1.00 0.00 H new ATOM 0 HA PHE A 776 -1.131 5.735 -1.121 1.00 0.00 H new ATOM 0 HB2 PHE A 776 -0.747 3.503 -0.148 1.00 0.00 H new ATOM 0 HB3 PHE A 776 -1.386 4.039 1.393 1.00 0.00 H new ATOM 0 HD1 PHE A 776 -3.840 4.886 1.416 1.00 0.00 H new ATOM 0 HD2 PHE A 776 -2.178 2.580 -1.757 1.00 0.00 H new ATOM 0 HE1 PHE A 776 -6.101 4.235 0.707 1.00 0.00 H new ATOM 0 HE2 PHE A 776 -4.438 1.928 -2.469 1.00 0.00 H new ATOM 0 HZ PHE A 776 -6.404 2.759 -1.241 1.00 0.00 H new ATOM 1092 N VAL A 777 -2.271 6.515 1.893 1.00 0.00 N ATOM 1093 CA VAL A 777 -3.212 7.375 2.600 1.00 0.00 C ATOM 1094 C VAL A 777 -3.026 8.836 2.205 1.00 0.00 C ATOM 1095 O VAL A 777 -3.993 9.538 1.912 1.00 0.00 O ATOM 1096 CB VAL A 777 -3.055 7.243 4.127 1.00 0.00 C ATOM 1097 CG1 VAL A 777 -3.224 5.794 4.558 1.00 0.00 C ATOM 1098 CG2 VAL A 777 -1.706 7.786 4.572 1.00 0.00 C ATOM 0 H VAL A 777 -1.744 5.882 2.495 1.00 0.00 H new ATOM 0 HA VAL A 777 -4.213 7.050 2.316 1.00 0.00 H new ATOM 0 HB VAL A 777 -3.835 7.833 4.608 1.00 0.00 H new ATOM 0 HG11 VAL A 777 -3.110 5.720 5.639 1.00 0.00 H new ATOM 0 HG12 VAL A 777 -4.216 5.443 4.273 1.00 0.00 H new ATOM 0 HG13 VAL A 777 -2.468 5.179 4.071 1.00 0.00 H new ATOM 0 HG21 VAL A 777 -1.612 7.685 5.653 1.00 0.00 H new ATOM 0 HG22 VAL A 777 -0.909 7.225 4.084 1.00 0.00 H new ATOM 0 HG23 VAL A 777 -1.629 8.838 4.298 1.00 0.00 H new ATOM 1108 N ALA A 778 -1.776 9.287 2.200 1.00 0.00 N ATOM 1109 CA ALA A 778 -1.462 10.663 1.838 1.00 0.00 C ATOM 1110 C ALA A 778 -2.182 11.073 0.558 1.00 0.00 C ATOM 1111 O ALA A 778 -2.699 12.185 0.454 1.00 0.00 O ATOM 1112 CB ALA A 778 0.041 10.838 1.679 1.00 0.00 C ATOM 0 H ALA A 778 -0.964 8.719 2.443 1.00 0.00 H new ATOM 0 HA ALA A 778 -1.809 11.311 2.643 1.00 0.00 H new ATOM 0 HB1 ALA A 778 0.260 11.871 1.409 1.00 0.00 H new ATOM 0 HB2 ALA A 778 0.537 10.596 2.619 1.00 0.00 H new ATOM 0 HB3 ALA A 778 0.404 10.173 0.895 1.00 0.00 H new ATOM 1118 N ALA A 779 -2.212 10.167 -0.414 1.00 0.00 N ATOM 1119 CA ALA A 779 -2.870 10.434 -1.687 1.00 0.00 C ATOM 1120 C ALA A 779 -4.373 10.192 -1.590 1.00 0.00 C ATOM 1121 O ALA A 779 -5.170 10.951 -2.139 1.00 0.00 O ATOM 1122 CB ALA A 779 -2.265 9.573 -2.785 1.00 0.00 C ATOM 0 H ALA A 779 -1.788 9.242 -0.344 1.00 0.00 H new ATOM 0 HA ALA A 779 -2.713 11.484 -1.935 1.00 0.00 H new ATOM 0 HB1 ALA A 779 -2.766 9.783 -3.730 1.00 0.00 H new ATOM 0 HB2 ALA A 779 -1.203 9.798 -2.880 1.00 0.00 H new ATOM 0 HB3 ALA A 779 -2.392 8.520 -2.533 1.00 0.00 H new ATOM 1128 N ALA A 780 -4.751 9.128 -0.889 1.00 0.00 N ATOM 1129 CA ALA A 780 -6.158 8.786 -0.719 1.00 0.00 C ATOM 1130 C ALA A 780 -6.975 10.009 -0.313 1.00 0.00 C ATOM 1131 O ALA A 780 -7.987 10.326 -0.938 1.00 0.00 O ATOM 1132 CB ALA A 780 -6.312 7.680 0.314 1.00 0.00 C ATOM 0 H ALA A 780 -4.103 8.488 -0.430 1.00 0.00 H new ATOM 0 HA ALA A 780 -6.537 8.429 -1.676 1.00 0.00 H new ATOM 0 HB1 ALA A 780 -7.368 7.435 0.430 1.00 0.00 H new ATOM 0 HB2 ALA A 780 -5.769 6.795 -0.017 1.00 0.00 H new ATOM 0 HB3 ALA A 780 -5.910 8.016 1.270 1.00 0.00 H new ATOM 1138 N ARG A 781 -6.529 10.690 0.738 1.00 0.00 N ATOM 1139 CA ARG A 781 -7.220 11.876 1.228 1.00 0.00 C ATOM 1140 C ARG A 781 -7.199 12.989 0.183 1.00 0.00 C ATOM 1141 O ARG A 781 -6.446 12.928 -0.789 1.00 0.00 O ATOM 1142 CB ARG A 781 -6.576 12.368 2.525 1.00 0.00 C ATOM 1143 CG ARG A 781 -5.097 12.694 2.386 1.00 0.00 C ATOM 1144 CD ARG A 781 -4.351 12.466 3.691 1.00 0.00 C ATOM 1145 NE ARG A 781 -4.821 13.353 4.752 1.00 0.00 N ATOM 1146 CZ ARG A 781 -4.232 13.456 5.939 1.00 0.00 C ATOM 1147 NH1 ARG A 781 -3.156 12.730 6.213 1.00 0.00 N ATOM 1148 NH2 ARG A 781 -4.718 14.285 6.852 1.00 0.00 N ATOM 0 H ARG A 781 -5.693 10.440 1.266 1.00 0.00 H new ATOM 0 HA ARG A 781 -8.257 11.606 1.425 1.00 0.00 H new ATOM 0 HB2 ARG A 781 -7.105 13.257 2.869 1.00 0.00 H new ATOM 0 HB3 ARG A 781 -6.701 11.606 3.294 1.00 0.00 H new ATOM 0 HG2 ARG A 781 -4.659 12.075 1.603 1.00 0.00 H new ATOM 0 HG3 ARG A 781 -4.980 13.732 2.075 1.00 0.00 H new ATOM 0 HD2 ARG A 781 -4.476 11.429 4.003 1.00 0.00 H new ATOM 0 HD3 ARG A 781 -3.285 12.625 3.531 1.00 0.00 H new ATOM 0 HE ARG A 781 -5.646 13.925 4.572 1.00 0.00 H new ATOM 0 HH11 ARG A 781 -2.780 12.092 5.512 1.00 0.00 H new ATOM 0 HH12 ARG A 781 -2.705 12.810 7.124 1.00 0.00 H new ATOM 0 HH21 ARG A 781 -5.545 14.845 6.644 1.00 0.00 H new ATOM 0 HH22 ARG A 781 -4.265 14.363 7.763 1.00 0.00 H new