USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=10 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 K(o=0,f=-0.52) USER MOD Single : A 729 LYS NZ :NH3+ -174:sc= -0.0155 (180deg=-0.0856) USER MOD Single : A 733 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.928) USER MOD Single : A 734 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 735 MET CE :methyl -161:sc= -0.554 (180deg=-1.49) USER MOD Single : A 736 MET CE :methyl -165:sc= -2.62 (180deg=-3.32) USER MOD Single : A 740 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 742 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 746 THR OG1 : rot 180:sc= 0 USER MOD Single : A 748 SER OG : rot 180:sc= 0 USER MOD Single : A 753 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00226) USER MOD Single : A 754 HIS : no HE2:sc= -3.35 K(o=-3.4,f=-6.8!) 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+ -170:sc= 0 (180deg=-0.0415) 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= -2.21 K(o=-2.2,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 224 N ILE A 725 9.810 -9.097 -3.055 1.00 0.00 N ATOM 225 CA ILE A 725 9.472 -7.700 -2.814 1.00 0.00 C ATOM 226 C ILE A 725 8.441 -7.202 -3.821 1.00 0.00 C ATOM 227 O ILE A 725 7.363 -6.742 -3.444 1.00 0.00 O ATOM 228 CB ILE A 725 10.719 -6.799 -2.884 1.00 0.00 C ATOM 229 CG1 ILE A 725 11.736 -7.213 -1.818 1.00 0.00 C ATOM 230 CG2 ILE A 725 10.328 -5.339 -2.712 1.00 0.00 C ATOM 231 CD1 ILE A 725 13.083 -6.544 -1.976 1.00 0.00 C ATOM 0 HA ILE A 725 9.051 -7.646 -1.810 1.00 0.00 H new ATOM 0 HB ILE A 725 11.180 -6.918 -3.864 1.00 0.00 H new ATOM 0 HG12 ILE A 725 11.335 -6.975 -0.833 1.00 0.00 H new ATOM 0 HG13 ILE A 725 11.870 -8.294 -1.855 1.00 0.00 H new ATOM 0 HG21 ILE A 725 11.220 -4.715 -2.764 1.00 0.00 H new ATOM 0 HG22 ILE A 725 9.637 -5.051 -3.505 1.00 0.00 H new ATOM 0 HG23 ILE A 725 9.846 -5.203 -1.744 1.00 0.00 H new ATOM 0 HD11 ILE A 725 13.753 -6.884 -1.187 1.00 0.00 H new ATOM 0 HD12 ILE A 725 13.506 -6.802 -2.947 1.00 0.00 H new ATOM 0 HD13 ILE A 725 12.962 -5.463 -1.909 1.00 0.00 H new ATOM 243 N MET A 726 8.779 -7.299 -5.102 1.00 0.00 N ATOM 244 CA MET A 726 7.880 -6.861 -6.164 1.00 0.00 C ATOM 245 C MET A 726 6.515 -7.527 -6.030 1.00 0.00 C ATOM 246 O MET A 726 5.505 -6.856 -5.819 1.00 0.00 O ATOM 247 CB MET A 726 8.483 -7.176 -7.534 1.00 0.00 C ATOM 248 CG MET A 726 9.868 -6.584 -7.740 1.00 0.00 C ATOM 249 SD MET A 726 9.814 -4.892 -8.361 1.00 0.00 S ATOM 250 CE MET A 726 11.039 -4.109 -7.315 1.00 0.00 C ATOM 0 H MET A 726 9.668 -7.677 -5.430 1.00 0.00 H new ATOM 0 HA MET A 726 7.748 -5.783 -6.073 1.00 0.00 H new ATOM 0 HB2 MET A 726 8.537 -8.258 -7.658 1.00 0.00 H new ATOM 0 HB3 MET A 726 7.817 -6.799 -8.310 1.00 0.00 H new ATOM 0 HG2 MET A 726 10.411 -6.603 -6.795 1.00 0.00 H new ATOM 0 HG3 MET A 726 10.425 -7.207 -8.441 1.00 0.00 H new ATOM 0 HE1 MET A 726 11.122 -3.054 -7.578 1.00 0.00 H new ATOM 0 HE2 MET A 726 10.738 -4.200 -6.271 1.00 0.00 H new ATOM 0 HE3 MET A 726 12.004 -4.595 -7.458 1.00 0.00 H new ATOM 260 N GLN A 727 6.492 -8.850 -6.155 1.00 0.00 N ATOM 261 CA GLN A 727 5.250 -9.606 -6.049 1.00 0.00 C ATOM 262 C GLN A 727 4.410 -9.111 -4.876 1.00 0.00 C ATOM 263 O GLN A 727 3.288 -8.641 -5.058 1.00 0.00 O ATOM 264 CB GLN A 727 5.548 -11.097 -5.885 1.00 0.00 C ATOM 265 CG GLN A 727 4.301 -11.966 -5.845 1.00 0.00 C ATOM 266 CD GLN A 727 4.545 -13.306 -5.179 1.00 0.00 C ATOM 267 OE1 GLN A 727 5.683 -13.766 -5.080 1.00 0.00 O ATOM 268 NE2 GLN A 727 3.474 -13.941 -4.717 1.00 0.00 N ATOM 0 H GLN A 727 7.319 -9.420 -6.330 1.00 0.00 H new ATOM 0 HA GLN A 727 4.683 -9.455 -6.968 1.00 0.00 H new ATOM 0 HB2 GLN A 727 6.183 -11.425 -6.708 1.00 0.00 H new ATOM 0 HB3 GLN A 727 6.115 -11.247 -4.966 1.00 0.00 H new ATOM 0 HG2 GLN A 727 3.511 -11.437 -5.311 1.00 0.00 H new ATOM 0 HG3 GLN A 727 3.944 -12.129 -6.862 1.00 0.00 H new ATOM 0 HE21 GLN A 727 2.549 -13.523 -4.820 1.00 0.00 H new ATOM 0 HE22 GLN A 727 3.576 -14.847 -4.259 1.00 0.00 H new ATOM 277 N ALA A 728 4.962 -9.221 -3.672 1.00 0.00 N ATOM 278 CA ALA A 728 4.265 -8.783 -2.469 1.00 0.00 C ATOM 279 C ALA A 728 3.755 -7.354 -2.619 1.00 0.00 C ATOM 280 O ALA A 728 2.553 -7.100 -2.537 1.00 0.00 O ATOM 281 CB ALA A 728 5.180 -8.895 -1.258 1.00 0.00 C ATOM 0 H ALA A 728 5.890 -9.610 -3.504 1.00 0.00 H new ATOM 0 HA ALA A 728 3.404 -9.434 -2.321 1.00 0.00 H new ATOM 0 HB1 ALA A 728 4.646 -8.565 -0.367 1.00 0.00 H new ATOM 0 HB2 ALA A 728 5.491 -9.932 -1.131 1.00 0.00 H new ATOM 0 HB3 ALA A 728 6.059 -8.269 -1.407 1.00 0.00 H new ATOM 287 N LYS A 729 4.676 -6.422 -2.840 1.00 0.00 N ATOM 288 CA LYS A 729 4.321 -5.018 -3.003 1.00 0.00 C ATOM 289 C LYS A 729 3.134 -4.863 -3.948 1.00 0.00 C ATOM 290 O LYS A 729 2.270 -4.012 -3.739 1.00 0.00 O ATOM 291 CB LYS A 729 5.518 -4.226 -3.536 1.00 0.00 C ATOM 292 CG LYS A 729 6.420 -3.680 -2.443 1.00 0.00 C ATOM 293 CD LYS A 729 7.420 -2.677 -2.995 1.00 0.00 C ATOM 294 CE LYS A 729 8.043 -1.843 -1.887 1.00 0.00 C ATOM 295 NZ LYS A 729 8.894 -2.666 -0.984 1.00 0.00 N ATOM 0 H LYS A 729 5.675 -6.615 -2.910 1.00 0.00 H new ATOM 0 HA LYS A 729 4.039 -4.625 -2.026 1.00 0.00 H new ATOM 0 HB2 LYS A 729 6.105 -4.868 -4.193 1.00 0.00 H new ATOM 0 HB3 LYS A 729 5.154 -3.397 -4.143 1.00 0.00 H new ATOM 0 HG2 LYS A 729 5.813 -3.204 -1.673 1.00 0.00 H new ATOM 0 HG3 LYS A 729 6.953 -4.502 -1.966 1.00 0.00 H new ATOM 0 HD2 LYS A 729 8.204 -3.205 -3.539 1.00 0.00 H new ATOM 0 HD3 LYS A 729 6.922 -2.021 -3.709 1.00 0.00 H new ATOM 0 HE2 LYS A 729 8.644 -1.047 -2.326 1.00 0.00 H new ATOM 0 HE3 LYS A 729 7.255 -1.364 -1.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 729 9.218 -2.083 -0.186 1.00 0.00 H new ATOM 0 HZ2 LYS A 729 8.342 -3.470 -0.624 1.00 0.00 H new ATOM 0 HZ3 LYS A 729 9.718 -3.020 -1.511 1.00 0.00 H new ATOM 309 N GLU A 730 3.099 -5.691 -4.987 1.00 0.00 N ATOM 310 CA GLU A 730 2.016 -5.645 -5.963 1.00 0.00 C ATOM 311 C GLU A 730 0.677 -5.964 -5.306 1.00 0.00 C ATOM 312 O GLU A 730 -0.296 -5.225 -5.463 1.00 0.00 O ATOM 313 CB GLU A 730 2.285 -6.630 -7.103 1.00 0.00 C ATOM 314 CG GLU A 730 1.691 -6.199 -8.433 1.00 0.00 C ATOM 315 CD GLU A 730 2.160 -7.062 -9.589 1.00 0.00 C ATOM 316 OE1 GLU A 730 1.553 -8.129 -9.816 1.00 0.00 O ATOM 317 OE2 GLU A 730 3.134 -6.670 -10.265 1.00 0.00 O ATOM 0 H GLU A 730 3.807 -6.401 -5.175 1.00 0.00 H new ATOM 0 HA GLU A 730 1.970 -4.634 -6.369 1.00 0.00 H new ATOM 0 HB2 GLU A 730 3.362 -6.753 -7.219 1.00 0.00 H new ATOM 0 HB3 GLU A 730 1.880 -7.605 -6.833 1.00 0.00 H new ATOM 0 HG2 GLU A 730 0.604 -6.241 -8.371 1.00 0.00 H new ATOM 0 HG3 GLU A 730 1.960 -5.161 -8.627 1.00 0.00 H new ATOM 324 N ASP A 731 0.634 -7.069 -4.570 1.00 0.00 N ATOM 325 CA ASP A 731 -0.585 -7.487 -3.888 1.00 0.00 C ATOM 326 C ASP A 731 -0.984 -6.475 -2.819 1.00 0.00 C ATOM 327 O ASP A 731 -2.164 -6.319 -2.505 1.00 0.00 O ATOM 328 CB ASP A 731 -0.395 -8.867 -3.256 1.00 0.00 C ATOM 329 CG ASP A 731 -0.343 -9.975 -4.290 1.00 0.00 C ATOM 330 OD1 ASP A 731 0.453 -9.859 -5.244 1.00 0.00 O ATOM 331 OD2 ASP A 731 -1.101 -10.957 -4.145 1.00 0.00 O ATOM 0 H ASP A 731 1.430 -7.692 -4.430 1.00 0.00 H new ATOM 0 HA ASP A 731 -1.384 -7.542 -4.627 1.00 0.00 H new ATOM 0 HB2 ASP A 731 0.527 -8.873 -2.674 1.00 0.00 H new ATOM 0 HB3 ASP A 731 -1.212 -9.061 -2.561 1.00 0.00 H new ATOM 336 N PHE A 732 0.009 -5.789 -2.261 1.00 0.00 N ATOM 337 CA PHE A 732 -0.238 -4.793 -1.225 1.00 0.00 C ATOM 338 C PHE A 732 -0.840 -3.525 -1.822 1.00 0.00 C ATOM 339 O PHE A 732 -1.954 -3.130 -1.477 1.00 0.00 O ATOM 340 CB PHE A 732 1.062 -4.458 -0.491 1.00 0.00 C ATOM 341 CG PHE A 732 0.863 -3.570 0.705 1.00 0.00 C ATOM 342 CD1 PHE A 732 0.524 -4.109 1.935 1.00 0.00 C ATOM 343 CD2 PHE A 732 1.016 -2.197 0.598 1.00 0.00 C ATOM 344 CE1 PHE A 732 0.341 -3.295 3.037 1.00 0.00 C ATOM 345 CE2 PHE A 732 0.835 -1.379 1.697 1.00 0.00 C ATOM 346 CZ PHE A 732 0.495 -1.928 2.917 1.00 0.00 C ATOM 0 H PHE A 732 0.992 -5.905 -2.509 1.00 0.00 H new ATOM 0 HA PHE A 732 -0.951 -5.212 -0.515 1.00 0.00 H new ATOM 0 HB2 PHE A 732 1.538 -5.385 -0.170 1.00 0.00 H new ATOM 0 HB3 PHE A 732 1.747 -3.971 -1.185 1.00 0.00 H new ATOM 0 HD1 PHE A 732 0.401 -5.177 2.034 1.00 0.00 H new ATOM 0 HD2 PHE A 732 1.280 -1.761 -0.355 1.00 0.00 H new ATOM 0 HE1 PHE A 732 0.078 -3.728 3.991 1.00 0.00 H new ATOM 0 HE2 PHE A 732 0.960 -0.310 1.601 1.00 0.00 H new ATOM 0 HZ PHE A 732 0.350 -1.290 3.776 1.00 0.00 H new ATOM 356 N LYS A 733 -0.094 -2.889 -2.719 1.00 0.00 N ATOM 357 CA LYS A 733 -0.552 -1.665 -3.367 1.00 0.00 C ATOM 358 C LYS A 733 -1.954 -1.845 -3.941 1.00 0.00 C ATOM 359 O LYS A 733 -2.819 -0.985 -3.776 1.00 0.00 O ATOM 360 CB LYS A 733 0.417 -1.258 -4.478 1.00 0.00 C ATOM 361 CG LYS A 733 1.760 -0.767 -3.965 1.00 0.00 C ATOM 362 CD LYS A 733 2.815 -0.783 -5.058 1.00 0.00 C ATOM 363 CE LYS A 733 2.778 0.493 -5.886 1.00 0.00 C ATOM 364 NZ LYS A 733 1.722 0.443 -6.935 1.00 0.00 N ATOM 0 H LYS A 733 0.831 -3.201 -3.014 1.00 0.00 H new ATOM 0 HA LYS A 733 -0.585 -0.876 -2.615 1.00 0.00 H new ATOM 0 HB2 LYS A 733 0.579 -2.111 -5.137 1.00 0.00 H new ATOM 0 HB3 LYS A 733 -0.042 -0.473 -5.079 1.00 0.00 H new ATOM 0 HG2 LYS A 733 1.654 0.246 -3.576 1.00 0.00 H new ATOM 0 HG3 LYS A 733 2.085 -1.395 -3.135 1.00 0.00 H new ATOM 0 HD2 LYS A 733 3.802 -0.900 -4.611 1.00 0.00 H new ATOM 0 HD3 LYS A 733 2.655 -1.644 -5.707 1.00 0.00 H new ATOM 0 HE2 LYS A 733 2.599 1.346 -5.231 1.00 0.00 H new ATOM 0 HE3 LYS A 733 3.749 0.650 -6.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 733 2.032 0.987 -7.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 733 1.554 -0.545 -7.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 733 0.842 0.852 -6.561 1.00 0.00 H new ATOM 378 N LYS A 734 -2.172 -2.969 -4.615 1.00 0.00 N ATOM 379 CA LYS A 734 -3.470 -3.265 -5.212 1.00 0.00 C ATOM 380 C LYS A 734 -4.497 -3.606 -4.138 1.00 0.00 C ATOM 381 O LYS A 734 -5.666 -3.236 -4.244 1.00 0.00 O ATOM 382 CB LYS A 734 -3.346 -4.425 -6.202 1.00 0.00 C ATOM 383 CG LYS A 734 -3.028 -3.983 -7.620 1.00 0.00 C ATOM 384 CD LYS A 734 -3.605 -4.943 -8.646 1.00 0.00 C ATOM 385 CE LYS A 734 -2.636 -6.073 -8.959 1.00 0.00 C ATOM 386 NZ LYS A 734 -1.660 -5.690 -10.016 1.00 0.00 N ATOM 0 H LYS A 734 -1.466 -3.691 -4.762 1.00 0.00 H new ATOM 0 HA LYS A 734 -3.809 -2.376 -5.744 1.00 0.00 H new ATOM 0 HB2 LYS A 734 -2.565 -5.103 -5.858 1.00 0.00 H new ATOM 0 HB3 LYS A 734 -4.279 -4.989 -6.207 1.00 0.00 H new ATOM 0 HG2 LYS A 734 -3.429 -2.984 -7.789 1.00 0.00 H new ATOM 0 HG3 LYS A 734 -1.947 -3.918 -7.748 1.00 0.00 H new ATOM 0 HD2 LYS A 734 -4.541 -5.358 -8.272 1.00 0.00 H new ATOM 0 HD3 LYS A 734 -3.841 -4.400 -9.561 1.00 0.00 H new ATOM 0 HE2 LYS A 734 -2.099 -6.352 -8.053 1.00 0.00 H new ATOM 0 HE3 LYS A 734 -3.195 -6.952 -9.282 1.00 0.00 H new ATOM 0 HZ1 LYS A 734 -1.017 -6.487 -10.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 734 -2.171 -5.448 -10.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 734 -1.109 -4.867 -9.698 1.00 0.00 H new ATOM 400 N MET A 735 -4.053 -4.314 -3.104 1.00 0.00 N ATOM 401 CA MET A 735 -4.935 -4.703 -2.009 1.00 0.00 C ATOM 402 C MET A 735 -5.479 -3.474 -1.287 1.00 0.00 C ATOM 403 O MET A 735 -6.600 -3.487 -0.780 1.00 0.00 O ATOM 404 CB MET A 735 -4.190 -5.602 -1.021 1.00 0.00 C ATOM 405 CG MET A 735 -4.888 -5.736 0.323 1.00 0.00 C ATOM 406 SD MET A 735 -4.505 -4.377 1.444 1.00 0.00 S ATOM 407 CE MET A 735 -2.832 -4.797 1.926 1.00 0.00 C ATOM 0 H MET A 735 -3.089 -4.630 -3.001 1.00 0.00 H new ATOM 0 HA MET A 735 -5.775 -5.256 -2.430 1.00 0.00 H new ATOM 0 HB2 MET A 735 -4.073 -6.592 -1.461 1.00 0.00 H new ATOM 0 HB3 MET A 735 -3.188 -5.203 -0.863 1.00 0.00 H new ATOM 0 HG2 MET A 735 -5.966 -5.779 0.165 1.00 0.00 H new ATOM 0 HG3 MET A 735 -4.596 -6.678 0.787 1.00 0.00 H new ATOM 0 HE1 MET A 735 -2.575 -4.271 2.846 1.00 0.00 H new ATOM 0 HE2 MET A 735 -2.760 -5.872 2.090 1.00 0.00 H new ATOM 0 HE3 MET A 735 -2.141 -4.504 1.136 1.00 0.00 H new ATOM 417 N MET A 736 -4.678 -2.415 -1.244 1.00 0.00 N ATOM 418 CA MET A 736 -5.081 -1.178 -0.585 1.00 0.00 C ATOM 419 C MET A 736 -6.016 -0.367 -1.475 1.00 0.00 C ATOM 420 O MET A 736 -7.017 0.175 -1.008 1.00 0.00 O ATOM 421 CB MET A 736 -3.850 -0.344 -0.223 1.00 0.00 C ATOM 422 CG MET A 736 -3.113 -0.851 1.006 1.00 0.00 C ATOM 423 SD MET A 736 -1.989 0.379 1.697 1.00 0.00 S ATOM 424 CE MET A 736 -1.000 0.781 0.259 1.00 0.00 C ATOM 0 H MET A 736 -3.746 -2.388 -1.658 1.00 0.00 H new ATOM 0 HA MET A 736 -5.615 -1.439 0.328 1.00 0.00 H new ATOM 0 HB2 MET A 736 -3.164 -0.336 -1.070 1.00 0.00 H new ATOM 0 HB3 MET A 736 -4.157 0.688 -0.052 1.00 0.00 H new ATOM 0 HG2 MET A 736 -3.838 -1.142 1.766 1.00 0.00 H new ATOM 0 HG3 MET A 736 -2.549 -1.746 0.744 1.00 0.00 H new ATOM 0 HE1 MET A 736 -0.103 1.316 0.572 1.00 0.00 H new ATOM 0 HE2 MET A 736 -0.714 -0.137 -0.254 1.00 0.00 H new ATOM 0 HE3 MET A 736 -1.580 1.409 -0.417 1.00 0.00 H new ATOM 434 N GLU A 737 -5.682 -0.287 -2.759 1.00 0.00 N ATOM 435 CA GLU A 737 -6.493 0.460 -3.714 1.00 0.00 C ATOM 436 C GLU A 737 -7.887 -0.147 -3.835 1.00 0.00 C ATOM 437 O GLU A 737 -8.867 0.564 -4.059 1.00 0.00 O ATOM 438 CB GLU A 737 -5.814 0.484 -5.085 1.00 0.00 C ATOM 439 CG GLU A 737 -4.700 1.512 -5.195 1.00 0.00 C ATOM 440 CD GLU A 737 -4.443 1.943 -6.626 1.00 0.00 C ATOM 441 OE1 GLU A 737 -5.414 2.323 -7.314 1.00 0.00 O ATOM 442 OE2 GLU A 737 -3.272 1.900 -7.058 1.00 0.00 O ATOM 0 H GLU A 737 -4.856 -0.730 -3.162 1.00 0.00 H new ATOM 0 HA GLU A 737 -6.591 1.482 -3.348 1.00 0.00 H new ATOM 0 HB2 GLU A 737 -5.407 -0.505 -5.297 1.00 0.00 H new ATOM 0 HB3 GLU A 737 -6.564 0.690 -5.849 1.00 0.00 H new ATOM 0 HG2 GLU A 737 -4.957 2.386 -4.597 1.00 0.00 H new ATOM 0 HG3 GLU A 737 -3.784 1.096 -4.775 1.00 0.00 H new ATOM 449 N GLU A 738 -7.968 -1.465 -3.687 1.00 0.00 N ATOM 450 CA GLU A 738 -9.242 -2.168 -3.782 1.00 0.00 C ATOM 451 C GLU A 738 -10.054 -1.997 -2.501 1.00 0.00 C ATOM 452 O GLU A 738 -11.236 -1.659 -2.544 1.00 0.00 O ATOM 453 CB GLU A 738 -9.011 -3.655 -4.057 1.00 0.00 C ATOM 454 CG GLU A 738 -8.198 -4.354 -2.980 1.00 0.00 C ATOM 455 CD GLU A 738 -7.892 -5.798 -3.326 1.00 0.00 C ATOM 456 OE1 GLU A 738 -7.050 -6.030 -4.219 1.00 0.00 O ATOM 457 OE2 GLU A 738 -8.494 -6.697 -2.702 1.00 0.00 O ATOM 0 H GLU A 738 -7.167 -2.068 -3.501 1.00 0.00 H new ATOM 0 HA GLU A 738 -9.805 -1.736 -4.610 1.00 0.00 H new ATOM 0 HB2 GLU A 738 -9.976 -4.152 -4.152 1.00 0.00 H new ATOM 0 HB3 GLU A 738 -8.501 -3.764 -5.014 1.00 0.00 H new ATOM 0 HG2 GLU A 738 -7.263 -3.815 -2.828 1.00 0.00 H new ATOM 0 HG3 GLU A 738 -8.744 -4.318 -2.037 1.00 0.00 H new ATOM 464 N ALA A 739 -9.410 -2.234 -1.363 1.00 0.00 N ATOM 465 CA ALA A 739 -10.071 -2.105 -0.070 1.00 0.00 C ATOM 466 C ALA A 739 -10.720 -0.733 0.080 1.00 0.00 C ATOM 467 O ALA A 739 -11.732 -0.586 0.766 1.00 0.00 O ATOM 468 CB ALA A 739 -9.077 -2.347 1.057 1.00 0.00 C ATOM 0 H ALA A 739 -8.431 -2.516 -1.310 1.00 0.00 H new ATOM 0 HA ALA A 739 -10.857 -2.858 -0.014 1.00 0.00 H new ATOM 0 HB1 ALA A 739 -9.584 -2.248 2.017 1.00 0.00 H new ATOM 0 HB2 ALA A 739 -8.663 -3.351 0.968 1.00 0.00 H new ATOM 0 HB3 ALA A 739 -8.271 -1.616 0.995 1.00 0.00 H new ATOM 474 N LYS A 740 -10.132 0.269 -0.564 1.00 0.00 N ATOM 475 CA LYS A 740 -10.653 1.629 -0.503 1.00 0.00 C ATOM 476 C LYS A 740 -10.957 2.031 0.936 1.00 0.00 C ATOM 477 O LYS A 740 -12.030 2.558 1.231 1.00 0.00 O ATOM 478 CB LYS A 740 -11.917 1.752 -1.356 1.00 0.00 C ATOM 479 CG LYS A 740 -11.637 2.049 -2.819 1.00 0.00 C ATOM 480 CD LYS A 740 -12.921 2.127 -3.628 1.00 0.00 C ATOM 481 CE LYS A 740 -13.510 3.529 -3.606 1.00 0.00 C ATOM 482 NZ LYS A 740 -14.662 3.662 -4.540 1.00 0.00 N ATOM 0 H LYS A 740 -9.293 0.165 -1.135 1.00 0.00 H new ATOM 0 HA LYS A 740 -9.890 2.301 -0.896 1.00 0.00 H new ATOM 0 HB2 LYS A 740 -12.485 0.825 -1.285 1.00 0.00 H new ATOM 0 HB3 LYS A 740 -12.546 2.543 -0.947 1.00 0.00 H new ATOM 0 HG2 LYS A 740 -11.095 2.991 -2.903 1.00 0.00 H new ATOM 0 HG3 LYS A 740 -10.992 1.273 -3.232 1.00 0.00 H new ATOM 0 HD2 LYS A 740 -12.722 1.831 -4.658 1.00 0.00 H new ATOM 0 HD3 LYS A 740 -13.648 1.420 -3.228 1.00 0.00 H new ATOM 0 HE2 LYS A 740 -13.834 3.771 -2.594 1.00 0.00 H new ATOM 0 HE3 LYS A 740 -12.739 4.251 -3.875 1.00 0.00 H new ATOM 0 HZ1 LYS A 740 -15.035 4.632 -4.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 740 -14.348 3.456 -5.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 740 -15.409 2.991 -4.268 1.00 0.00 H new ATOM 496 N PHE A 741 -10.005 1.781 1.829 1.00 0.00 N ATOM 497 CA PHE A 741 -10.172 2.118 3.239 1.00 0.00 C ATOM 498 C PHE A 741 -10.175 3.631 3.440 1.00 0.00 C ATOM 499 O PHE A 741 -10.024 4.394 2.487 1.00 0.00 O ATOM 500 CB PHE A 741 -9.056 1.484 4.072 1.00 0.00 C ATOM 501 CG PHE A 741 -7.677 1.877 3.624 1.00 0.00 C ATOM 502 CD1 PHE A 741 -7.146 3.109 3.970 1.00 0.00 C ATOM 503 CD2 PHE A 741 -6.911 1.014 2.857 1.00 0.00 C ATOM 504 CE1 PHE A 741 -5.878 3.473 3.559 1.00 0.00 C ATOM 505 CE2 PHE A 741 -5.641 1.372 2.443 1.00 0.00 C ATOM 506 CZ PHE A 741 -5.124 2.604 2.796 1.00 0.00 C ATOM 0 H PHE A 741 -9.110 1.347 1.602 1.00 0.00 H new ATOM 0 HA PHE A 741 -11.133 1.723 3.570 1.00 0.00 H new ATOM 0 HB2 PHE A 741 -9.186 1.770 5.116 1.00 0.00 H new ATOM 0 HB3 PHE A 741 -9.149 0.399 4.024 1.00 0.00 H new ATOM 0 HD1 PHE A 741 -7.730 3.793 4.568 1.00 0.00 H new ATOM 0 HD2 PHE A 741 -7.311 0.050 2.579 1.00 0.00 H new ATOM 0 HE1 PHE A 741 -5.477 4.437 3.835 1.00 0.00 H new ATOM 0 HE2 PHE A 741 -5.054 0.690 1.845 1.00 0.00 H new ATOM 0 HZ PHE A 741 -4.132 2.886 2.476 1.00 0.00 H new ATOM 516 N ASN A 742 -10.350 4.055 4.687 1.00 0.00 N ATOM 517 CA ASN A 742 -10.375 5.476 5.014 1.00 0.00 C ATOM 518 C ASN A 742 -9.050 5.916 5.629 1.00 0.00 C ATOM 519 O ASN A 742 -8.409 5.178 6.377 1.00 0.00 O ATOM 520 CB ASN A 742 -11.523 5.779 5.979 1.00 0.00 C ATOM 521 CG ASN A 742 -12.877 5.423 5.396 1.00 0.00 C ATOM 522 OD1 ASN A 742 -13.289 5.971 4.373 1.00 0.00 O ATOM 523 ND2 ASN A 742 -13.577 4.500 6.045 1.00 0.00 N ATOM 0 H ASN A 742 -10.477 3.435 5.487 1.00 0.00 H new ATOM 0 HA ASN A 742 -10.529 6.033 4.090 1.00 0.00 H new ATOM 0 HB2 ASN A 742 -11.372 5.224 6.905 1.00 0.00 H new ATOM 0 HB3 ASN A 742 -11.508 6.838 6.236 1.00 0.00 H new ATOM 0 HD21 ASN A 742 -14.495 4.219 5.699 1.00 0.00 H new ATOM 0 HD22 ASN A 742 -13.197 4.072 6.889 1.00 0.00 H new ATOM 530 N PRO A 743 -8.629 7.149 5.308 1.00 0.00 N ATOM 531 CA PRO A 743 -7.378 7.716 5.819 1.00 0.00 C ATOM 532 C PRO A 743 -7.446 8.021 7.312 1.00 0.00 C ATOM 533 O PRO A 743 -6.421 8.238 7.958 1.00 0.00 O ATOM 534 CB PRO A 743 -7.220 9.009 5.016 1.00 0.00 C ATOM 535 CG PRO A 743 -8.607 9.381 4.620 1.00 0.00 C ATOM 536 CD PRO A 743 -9.343 8.084 4.423 1.00 0.00 C ATOM 0 HA PRO A 743 -6.543 7.025 5.708 1.00 0.00 H new ATOM 0 HB2 PRO A 743 -6.756 9.793 5.615 1.00 0.00 H new ATOM 0 HB3 PRO A 743 -6.586 8.857 4.142 1.00 0.00 H new ATOM 0 HG2 PRO A 743 -9.084 9.987 5.390 1.00 0.00 H new ATOM 0 HG3 PRO A 743 -8.606 9.972 3.704 1.00 0.00 H new ATOM 0 HD2 PRO A 743 -10.394 8.173 4.697 1.00 0.00 H new ATOM 0 HD3 PRO A 743 -9.311 7.758 3.384 1.00 0.00 H new ATOM 544 N ARG A 744 -8.660 8.036 7.853 1.00 0.00 N ATOM 545 CA ARG A 744 -8.862 8.316 9.269 1.00 0.00 C ATOM 546 C ARG A 744 -8.295 7.192 10.132 1.00 0.00 C ATOM 547 O ARG A 744 -7.951 7.402 11.294 1.00 0.00 O ATOM 548 CB ARG A 744 -10.351 8.500 9.567 1.00 0.00 C ATOM 549 CG ARG A 744 -11.187 7.264 9.279 1.00 0.00 C ATOM 550 CD ARG A 744 -12.659 7.613 9.119 1.00 0.00 C ATOM 551 NE ARG A 744 -13.336 7.733 10.407 1.00 0.00 N ATOM 552 CZ ARG A 744 -13.661 6.694 11.167 1.00 0.00 C ATOM 553 NH1 ARG A 744 -13.371 5.462 10.770 1.00 0.00 N ATOM 554 NH2 ARG A 744 -14.276 6.884 12.327 1.00 0.00 N ATOM 0 H ARG A 744 -9.518 7.857 7.332 1.00 0.00 H new ATOM 0 HA ARG A 744 -8.333 9.238 9.510 1.00 0.00 H new ATOM 0 HB2 ARG A 744 -10.472 8.774 10.615 1.00 0.00 H new ATOM 0 HB3 ARG A 744 -10.731 9.332 8.974 1.00 0.00 H new ATOM 0 HG2 ARG A 744 -10.825 6.782 8.371 1.00 0.00 H new ATOM 0 HG3 ARG A 744 -11.068 6.546 10.090 1.00 0.00 H new ATOM 0 HD2 ARG A 744 -12.752 8.551 8.572 1.00 0.00 H new ATOM 0 HD3 ARG A 744 -13.151 6.846 8.521 1.00 0.00 H new ATOM 0 HE ARG A 744 -13.572 8.667 10.742 1.00 0.00 H new ATOM 0 HH11 ARG A 744 -12.897 5.311 9.879 1.00 0.00 H new ATOM 0 HH12 ARG A 744 -13.622 4.665 11.355 1.00 0.00 H new ATOM 0 HH21 ARG A 744 -14.500 7.830 12.637 1.00 0.00 H new ATOM 0 HH22 ARG A 744 -14.525 6.084 12.909 1.00 0.00 H new ATOM 568 N ALA A 745 -8.201 5.999 9.553 1.00 0.00 N ATOM 569 CA ALA A 745 -7.674 4.843 10.268 1.00 0.00 C ATOM 570 C ALA A 745 -6.166 4.958 10.462 1.00 0.00 C ATOM 571 O ALA A 745 -5.462 5.524 9.625 1.00 0.00 O ATOM 572 CB ALA A 745 -8.016 3.562 9.522 1.00 0.00 C ATOM 0 H ALA A 745 -8.483 5.808 8.591 1.00 0.00 H new ATOM 0 HA ALA A 745 -8.139 4.813 11.253 1.00 0.00 H new ATOM 0 HB1 ALA A 745 -7.617 2.706 10.066 1.00 0.00 H new ATOM 0 HB2 ALA A 745 -9.099 3.467 9.440 1.00 0.00 H new ATOM 0 HB3 ALA A 745 -7.578 3.594 8.524 1.00 0.00 H new ATOM 578 N THR A 746 -5.674 4.418 11.573 1.00 0.00 N ATOM 579 CA THR A 746 -4.250 4.462 11.879 1.00 0.00 C ATOM 580 C THR A 746 -3.568 3.151 11.507 1.00 0.00 C ATOM 581 O THR A 746 -4.163 2.078 11.612 1.00 0.00 O ATOM 582 CB THR A 746 -4.004 4.750 13.372 1.00 0.00 C ATOM 583 OG1 THR A 746 -2.612 4.996 13.601 1.00 0.00 O ATOM 584 CG2 THR A 746 -4.466 3.583 14.231 1.00 0.00 C ATOM 0 H THR A 746 -6.242 3.945 12.276 1.00 0.00 H new ATOM 0 HA THR A 746 -3.824 5.272 11.286 1.00 0.00 H new ATOM 0 HB THR A 746 -4.579 5.634 13.648 1.00 0.00 H new ATOM 0 HG1 THR A 746 -2.464 5.180 14.552 1.00 0.00 H new ATOM 0 HG21 THR A 746 -4.282 3.809 15.281 1.00 0.00 H new ATOM 0 HG22 THR A 746 -5.532 3.417 14.077 1.00 0.00 H new ATOM 0 HG23 THR A 746 -3.915 2.685 13.951 1.00 0.00 H new ATOM 592 N PHE A 747 -2.315 3.243 11.072 1.00 0.00 N ATOM 593 CA PHE A 747 -1.551 2.063 10.685 1.00 0.00 C ATOM 594 C PHE A 747 -1.795 0.913 11.658 1.00 0.00 C ATOM 595 O PHE A 747 -1.892 -0.246 11.254 1.00 0.00 O ATOM 596 CB PHE A 747 -0.058 2.392 10.630 1.00 0.00 C ATOM 597 CG PHE A 747 0.819 1.177 10.523 1.00 0.00 C ATOM 598 CD1 PHE A 747 0.575 0.212 9.559 1.00 0.00 C ATOM 599 CD2 PHE A 747 1.888 1.000 11.387 1.00 0.00 C ATOM 600 CE1 PHE A 747 1.381 -0.906 9.458 1.00 0.00 C ATOM 601 CE2 PHE A 747 2.697 -0.116 11.290 1.00 0.00 C ATOM 602 CZ PHE A 747 2.443 -1.071 10.325 1.00 0.00 C ATOM 0 H PHE A 747 -1.808 4.123 10.979 1.00 0.00 H new ATOM 0 HA PHE A 747 -1.885 1.754 9.694 1.00 0.00 H new ATOM 0 HB2 PHE A 747 0.131 3.043 9.777 1.00 0.00 H new ATOM 0 HB3 PHE A 747 0.216 2.951 11.525 1.00 0.00 H new ATOM 0 HD1 PHE A 747 -0.255 0.335 8.879 1.00 0.00 H new ATOM 0 HD2 PHE A 747 2.091 1.743 12.145 1.00 0.00 H new ATOM 0 HE1 PHE A 747 1.180 -1.650 8.701 1.00 0.00 H new ATOM 0 HE2 PHE A 747 3.528 -0.242 11.969 1.00 0.00 H new ATOM 0 HZ PHE A 747 3.073 -1.945 10.249 1.00 0.00 H new ATOM 612 N SER A 748 -1.893 1.243 12.941 1.00 0.00 N ATOM 613 CA SER A 748 -2.121 0.239 13.973 1.00 0.00 C ATOM 614 C SER A 748 -3.366 -0.587 13.662 1.00 0.00 C ATOM 615 O SER A 748 -3.311 -1.815 13.608 1.00 0.00 O ATOM 616 CB SER A 748 -2.268 0.907 15.342 1.00 0.00 C ATOM 617 OG SER A 748 -1.883 0.026 16.383 1.00 0.00 O ATOM 0 H SER A 748 -1.818 2.198 13.291 1.00 0.00 H new ATOM 0 HA SER A 748 -1.259 -0.428 13.993 1.00 0.00 H new ATOM 0 HB2 SER A 748 -1.655 1.808 15.378 1.00 0.00 H new ATOM 0 HB3 SER A 748 -3.302 1.219 15.489 1.00 0.00 H new ATOM 0 HG SER A 748 -1.984 0.477 17.247 1.00 0.00 H new ATOM 623 N GLU A 749 -4.487 0.098 13.458 1.00 0.00 N ATOM 624 CA GLU A 749 -5.746 -0.572 13.153 1.00 0.00 C ATOM 625 C GLU A 749 -5.709 -1.190 11.758 1.00 0.00 C ATOM 626 O GLU A 749 -5.996 -2.375 11.584 1.00 0.00 O ATOM 627 CB GLU A 749 -6.912 0.414 13.255 1.00 0.00 C ATOM 628 CG GLU A 749 -7.519 0.496 14.646 1.00 0.00 C ATOM 629 CD GLU A 749 -8.948 1.002 14.629 1.00 0.00 C ATOM 630 OE1 GLU A 749 -9.863 0.187 14.386 1.00 0.00 O ATOM 631 OE2 GLU A 749 -9.152 2.212 14.859 1.00 0.00 O ATOM 0 H GLU A 749 -4.549 1.115 13.498 1.00 0.00 H new ATOM 0 HA GLU A 749 -5.889 -1.370 13.882 1.00 0.00 H new ATOM 0 HB2 GLU A 749 -6.566 1.405 12.960 1.00 0.00 H new ATOM 0 HB3 GLU A 749 -7.687 0.122 12.546 1.00 0.00 H new ATOM 0 HG2 GLU A 749 -7.492 -0.490 15.109 1.00 0.00 H new ATOM 0 HG3 GLU A 749 -6.911 1.155 15.265 1.00 0.00 H new ATOM 638 N PHE A 750 -5.354 -0.379 10.767 1.00 0.00 N ATOM 639 CA PHE A 750 -5.281 -0.844 9.387 1.00 0.00 C ATOM 640 C PHE A 750 -4.499 -2.151 9.295 1.00 0.00 C ATOM 641 O PHE A 750 -4.859 -3.050 8.535 1.00 0.00 O ATOM 642 CB PHE A 750 -4.627 0.218 8.502 1.00 0.00 C ATOM 643 CG PHE A 750 -4.135 -0.317 7.188 1.00 0.00 C ATOM 644 CD1 PHE A 750 -4.994 -0.434 6.107 1.00 0.00 C ATOM 645 CD2 PHE A 750 -2.813 -0.702 7.033 1.00 0.00 C ATOM 646 CE1 PHE A 750 -4.544 -0.926 4.896 1.00 0.00 C ATOM 647 CE2 PHE A 750 -2.357 -1.193 5.824 1.00 0.00 C ATOM 648 CZ PHE A 750 -3.224 -1.307 4.755 1.00 0.00 C ATOM 0 H PHE A 750 -5.112 0.604 10.894 1.00 0.00 H new ATOM 0 HA PHE A 750 -6.297 -1.023 9.036 1.00 0.00 H new ATOM 0 HB2 PHE A 750 -5.346 1.016 8.314 1.00 0.00 H new ATOM 0 HB3 PHE A 750 -3.790 0.663 9.040 1.00 0.00 H new ATOM 0 HD1 PHE A 750 -6.027 -0.137 6.212 1.00 0.00 H new ATOM 0 HD2 PHE A 750 -2.131 -0.617 7.866 1.00 0.00 H new ATOM 0 HE1 PHE A 750 -5.224 -1.012 4.061 1.00 0.00 H new ATOM 0 HE2 PHE A 750 -1.324 -1.487 5.715 1.00 0.00 H new ATOM 0 HZ PHE A 750 -2.870 -1.693 3.811 1.00 0.00 H new ATOM 658 N ALA A 751 -3.427 -2.249 10.074 1.00 0.00 N ATOM 659 CA ALA A 751 -2.595 -3.445 10.082 1.00 0.00 C ATOM 660 C ALA A 751 -3.311 -4.608 10.761 1.00 0.00 C ATOM 661 O ALA A 751 -3.454 -5.684 10.181 1.00 0.00 O ATOM 662 CB ALA A 751 -1.270 -3.162 10.775 1.00 0.00 C ATOM 0 H ALA A 751 -3.114 -1.514 10.708 1.00 0.00 H new ATOM 0 HA ALA A 751 -2.399 -3.727 9.048 1.00 0.00 H new ATOM 0 HB1 ALA A 751 -0.659 -4.064 10.774 1.00 0.00 H new ATOM 0 HB2 ALA A 751 -0.745 -2.367 10.245 1.00 0.00 H new ATOM 0 HB3 ALA A 751 -1.456 -2.852 11.803 1.00 0.00 H new ATOM 668 N ALA A 752 -3.758 -4.384 11.992 1.00 0.00 N ATOM 669 CA ALA A 752 -4.460 -5.413 12.749 1.00 0.00 C ATOM 670 C ALA A 752 -5.653 -5.952 11.967 1.00 0.00 C ATOM 671 O ALA A 752 -6.047 -7.106 12.132 1.00 0.00 O ATOM 672 CB ALA A 752 -4.913 -4.863 14.093 1.00 0.00 C ATOM 0 H ALA A 752 -3.646 -3.499 12.486 1.00 0.00 H new ATOM 0 HA ALA A 752 -3.769 -6.238 12.921 1.00 0.00 H new ATOM 0 HB1 ALA A 752 -5.436 -5.642 14.648 1.00 0.00 H new ATOM 0 HB2 ALA A 752 -4.044 -4.533 14.663 1.00 0.00 H new ATOM 0 HB3 ALA A 752 -5.584 -4.019 13.933 1.00 0.00 H new ATOM 678 N LYS A 753 -6.225 -5.108 11.115 1.00 0.00 N ATOM 679 CA LYS A 753 -7.374 -5.499 10.306 1.00 0.00 C ATOM 680 C LYS A 753 -6.925 -6.195 9.024 1.00 0.00 C ATOM 681 O LYS A 753 -7.242 -7.363 8.797 1.00 0.00 O ATOM 682 CB LYS A 753 -8.222 -4.273 9.962 1.00 0.00 C ATOM 683 CG LYS A 753 -8.861 -3.616 11.174 1.00 0.00 C ATOM 684 CD LYS A 753 -9.968 -4.479 11.756 1.00 0.00 C ATOM 685 CE LYS A 753 -10.720 -3.751 12.860 1.00 0.00 C ATOM 686 NZ LYS A 753 -9.882 -3.574 14.078 1.00 0.00 N ATOM 0 H LYS A 753 -5.912 -4.149 10.967 1.00 0.00 H new ATOM 0 HA LYS A 753 -7.975 -6.198 10.887 1.00 0.00 H new ATOM 0 HB2 LYS A 753 -7.597 -3.541 9.450 1.00 0.00 H new ATOM 0 HB3 LYS A 753 -9.005 -4.568 9.264 1.00 0.00 H new ATOM 0 HG2 LYS A 753 -8.101 -3.435 11.934 1.00 0.00 H new ATOM 0 HG3 LYS A 753 -9.266 -2.644 10.891 1.00 0.00 H new ATOM 0 HD2 LYS A 753 -10.664 -4.762 10.966 1.00 0.00 H new ATOM 0 HD3 LYS A 753 -9.542 -5.401 12.151 1.00 0.00 H new ATOM 0 HE2 LYS A 753 -11.044 -2.776 12.497 1.00 0.00 H new ATOM 0 HE3 LYS A 753 -11.620 -4.310 13.116 1.00 0.00 H new ATOM 0 HZ1 LYS A 753 -10.436 -3.089 14.813 1.00 0.00 H new ATOM 0 HZ2 LYS A 753 -9.580 -4.505 14.430 1.00 0.00 H new ATOM 0 HZ3 LYS A 753 -9.044 -3.004 13.843 1.00 0.00 H new ATOM 700 N HIS A 754 -6.185 -5.471 8.191 1.00 0.00 N ATOM 701 CA HIS A 754 -5.691 -6.020 6.933 1.00 0.00 C ATOM 702 C HIS A 754 -4.753 -7.197 7.185 1.00 0.00 C ATOM 703 O HIS A 754 -4.367 -7.906 6.256 1.00 0.00 O ATOM 704 CB HIS A 754 -4.967 -4.939 6.130 1.00 0.00 C ATOM 705 CG HIS A 754 -5.885 -3.903 5.557 1.00 0.00 C ATOM 706 ND1 HIS A 754 -6.022 -3.686 4.202 1.00 0.00 N ATOM 707 CD2 HIS A 754 -6.715 -3.024 6.164 1.00 0.00 C ATOM 708 CE1 HIS A 754 -6.896 -2.716 4.001 1.00 0.00 C ATOM 709 NE2 HIS A 754 -7.332 -2.297 5.175 1.00 0.00 N ATOM 0 H HIS A 754 -5.914 -4.503 8.364 1.00 0.00 H new ATOM 0 HA HIS A 754 -6.547 -6.376 6.360 1.00 0.00 H new ATOM 0 HB2 HIS A 754 -4.236 -4.449 6.773 1.00 0.00 H new ATOM 0 HB3 HIS A 754 -4.413 -5.411 5.318 1.00 0.00 H new ATOM 0 HD1 HIS A 754 -5.526 -4.195 3.470 1.00 0.00 H new ATOM 0 HD2 HIS A 754 -6.865 -2.914 7.228 1.00 0.00 H new ATOM 0 HE1 HIS A 754 -7.202 -2.331 3.040 1.00 0.00 H new ATOM 717 N ALA A 755 -4.390 -7.398 8.448 1.00 0.00 N ATOM 718 CA ALA A 755 -3.499 -8.489 8.822 1.00 0.00 C ATOM 719 C ALA A 755 -4.085 -9.839 8.423 1.00 0.00 C ATOM 720 O ALA A 755 -3.439 -10.630 7.737 1.00 0.00 O ATOM 721 CB ALA A 755 -3.220 -8.454 10.318 1.00 0.00 C ATOM 0 H ALA A 755 -4.699 -6.819 9.229 1.00 0.00 H new ATOM 0 HA ALA A 755 -2.560 -8.357 8.285 1.00 0.00 H new ATOM 0 HB1 ALA A 755 -2.553 -9.275 10.583 1.00 0.00 H new ATOM 0 HB2 ALA A 755 -2.750 -7.506 10.578 1.00 0.00 H new ATOM 0 HB3 ALA A 755 -4.157 -8.557 10.865 1.00 0.00 H new ATOM 727 N LYS A 756 -5.314 -10.096 8.858 1.00 0.00 N ATOM 728 CA LYS A 756 -5.990 -11.350 8.546 1.00 0.00 C ATOM 729 C LYS A 756 -5.905 -11.657 7.054 1.00 0.00 C ATOM 730 O LYS A 756 -6.041 -12.808 6.639 1.00 0.00 O ATOM 731 CB LYS A 756 -7.455 -11.286 8.982 1.00 0.00 C ATOM 732 CG LYS A 756 -8.057 -12.645 9.293 1.00 0.00 C ATOM 733 CD LYS A 756 -9.243 -12.527 10.236 1.00 0.00 C ATOM 734 CE LYS A 756 -10.389 -11.758 9.596 1.00 0.00 C ATOM 735 NZ LYS A 756 -11.625 -11.812 10.425 1.00 0.00 N ATOM 0 H LYS A 756 -5.863 -9.452 9.428 1.00 0.00 H new ATOM 0 HA LYS A 756 -5.490 -12.149 9.093 1.00 0.00 H new ATOM 0 HB2 LYS A 756 -7.535 -10.652 9.865 1.00 0.00 H new ATOM 0 HB3 LYS A 756 -8.039 -10.811 8.194 1.00 0.00 H new ATOM 0 HG2 LYS A 756 -8.374 -13.124 8.367 1.00 0.00 H new ATOM 0 HG3 LYS A 756 -7.298 -13.287 9.740 1.00 0.00 H new ATOM 0 HD2 LYS A 756 -9.585 -13.523 10.519 1.00 0.00 H new ATOM 0 HD3 LYS A 756 -8.932 -12.024 11.152 1.00 0.00 H new ATOM 0 HE2 LYS A 756 -10.093 -10.719 9.452 1.00 0.00 H new ATOM 0 HE3 LYS A 756 -10.596 -12.170 8.608 1.00 0.00 H new ATOM 0 HZ1 LYS A 756 -12.382 -11.276 9.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 756 -11.922 -12.802 10.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 756 -11.435 -11.396 11.359 1.00 0.00 H new ATOM 749 N ASP A 757 -5.679 -10.621 6.254 1.00 0.00 N ATOM 750 CA ASP A 757 -5.574 -10.781 4.808 1.00 0.00 C ATOM 751 C ASP A 757 -4.218 -11.366 4.423 1.00 0.00 C ATOM 752 O ASP A 757 -3.208 -10.662 4.410 1.00 0.00 O ATOM 753 CB ASP A 757 -5.780 -9.437 4.108 1.00 0.00 C ATOM 754 CG ASP A 757 -6.139 -9.595 2.644 1.00 0.00 C ATOM 755 OD1 ASP A 757 -7.266 -10.050 2.355 1.00 0.00 O ATOM 756 OD2 ASP A 757 -5.293 -9.265 1.786 1.00 0.00 O ATOM 0 H ASP A 757 -5.565 -9.662 6.582 1.00 0.00 H new ATOM 0 HA ASP A 757 -6.353 -11.472 4.487 1.00 0.00 H new ATOM 0 HB2 ASP A 757 -6.571 -8.884 4.615 1.00 0.00 H new ATOM 0 HB3 ASP A 757 -4.870 -8.843 4.194 1.00 0.00 H new ATOM 761 N SER A 758 -4.204 -12.658 4.111 1.00 0.00 N ATOM 762 CA SER A 758 -2.972 -13.339 3.731 1.00 0.00 C ATOM 763 C SER A 758 -2.061 -12.409 2.935 1.00 0.00 C ATOM 764 O SER A 758 -0.945 -12.104 3.358 1.00 0.00 O ATOM 765 CB SER A 758 -3.288 -14.589 2.907 1.00 0.00 C ATOM 766 OG SER A 758 -3.957 -15.560 3.692 1.00 0.00 O ATOM 0 H SER A 758 -5.032 -13.254 4.114 1.00 0.00 H new ATOM 0 HA SER A 758 -2.454 -13.635 4.643 1.00 0.00 H new ATOM 0 HB2 SER A 758 -3.907 -14.318 2.052 1.00 0.00 H new ATOM 0 HB3 SER A 758 -2.364 -15.010 2.511 1.00 0.00 H new ATOM 0 HG SER A 758 -4.150 -16.349 3.143 1.00 0.00 H new ATOM 772 N ARG A 759 -2.544 -11.962 1.781 1.00 0.00 N ATOM 773 CA ARG A 759 -1.774 -11.068 0.925 1.00 0.00 C ATOM 774 C ARG A 759 -1.010 -10.042 1.757 1.00 0.00 C ATOM 775 O ARG A 759 0.200 -9.875 1.597 1.00 0.00 O ATOM 776 CB ARG A 759 -2.697 -10.352 -0.063 1.00 0.00 C ATOM 777 CG ARG A 759 -3.239 -11.258 -1.157 1.00 0.00 C ATOM 778 CD ARG A 759 -3.934 -10.459 -2.248 1.00 0.00 C ATOM 779 NE ARG A 759 -4.811 -11.295 -3.063 1.00 0.00 N ATOM 780 CZ ARG A 759 -5.941 -11.831 -2.615 1.00 0.00 C ATOM 781 NH1 ARG A 759 -6.329 -11.619 -1.365 1.00 0.00 N ATOM 782 NH2 ARG A 759 -6.686 -12.580 -3.418 1.00 0.00 N ATOM 0 H ARG A 759 -3.465 -12.204 1.417 1.00 0.00 H new ATOM 0 HA ARG A 759 -1.054 -11.669 0.370 1.00 0.00 H new ATOM 0 HB2 ARG A 759 -3.533 -9.917 0.484 1.00 0.00 H new ATOM 0 HB3 ARG A 759 -2.153 -9.527 -0.523 1.00 0.00 H new ATOM 0 HG2 ARG A 759 -2.422 -11.835 -1.591 1.00 0.00 H new ATOM 0 HG3 ARG A 759 -3.940 -11.973 -0.725 1.00 0.00 H new ATOM 0 HD2 ARG A 759 -4.516 -9.657 -1.795 1.00 0.00 H new ATOM 0 HD3 ARG A 759 -3.186 -9.989 -2.886 1.00 0.00 H new ATOM 0 HE ARG A 759 -4.541 -11.477 -4.030 1.00 0.00 H new ATOM 0 HH11 ARG A 759 -5.759 -11.043 -0.745 1.00 0.00 H new ATOM 0 HH12 ARG A 759 -7.197 -12.032 -1.023 1.00 0.00 H new ATOM 0 HH21 ARG A 759 -6.391 -12.745 -4.380 1.00 0.00 H new ATOM 0 HH22 ARG A 759 -7.553 -12.991 -3.073 1.00 0.00 H new ATOM 796 N PHE A 760 -1.723 -9.359 2.646 1.00 0.00 N ATOM 797 CA PHE A 760 -1.113 -8.349 3.502 1.00 0.00 C ATOM 798 C PHE A 760 0.069 -8.931 4.272 1.00 0.00 C ATOM 799 O PHE A 760 1.157 -8.354 4.293 1.00 0.00 O ATOM 800 CB PHE A 760 -2.146 -7.787 4.481 1.00 0.00 C ATOM 801 CG PHE A 760 -1.550 -6.911 5.545 1.00 0.00 C ATOM 802 CD1 PHE A 760 -0.820 -7.462 6.586 1.00 0.00 C ATOM 803 CD2 PHE A 760 -1.720 -5.537 5.505 1.00 0.00 C ATOM 804 CE1 PHE A 760 -0.269 -6.659 7.567 1.00 0.00 C ATOM 805 CE2 PHE A 760 -1.172 -4.728 6.483 1.00 0.00 C ATOM 806 CZ PHE A 760 -0.446 -5.290 7.516 1.00 0.00 C ATOM 0 H PHE A 760 -2.724 -9.487 2.792 1.00 0.00 H new ATOM 0 HA PHE A 760 -0.749 -7.542 2.866 1.00 0.00 H new ATOM 0 HB2 PHE A 760 -2.888 -7.215 3.924 1.00 0.00 H new ATOM 0 HB3 PHE A 760 -2.672 -8.615 4.956 1.00 0.00 H new ATOM 0 HD1 PHE A 760 -0.680 -8.532 6.631 1.00 0.00 H new ATOM 0 HD2 PHE A 760 -2.287 -5.093 4.701 1.00 0.00 H new ATOM 0 HE1 PHE A 760 0.299 -7.101 8.372 1.00 0.00 H new ATOM 0 HE2 PHE A 760 -1.311 -3.658 6.440 1.00 0.00 H new ATOM 0 HZ PHE A 760 -0.018 -4.660 8.282 1.00 0.00 H new ATOM 816 N LYS A 761 -0.152 -10.078 4.905 1.00 0.00 N ATOM 817 CA LYS A 761 0.893 -10.741 5.676 1.00 0.00 C ATOM 818 C LYS A 761 2.199 -10.795 4.889 1.00 0.00 C ATOM 819 O LYS A 761 3.284 -10.809 5.470 1.00 0.00 O ATOM 820 CB LYS A 761 0.455 -12.158 6.055 1.00 0.00 C ATOM 821 CG LYS A 761 -0.809 -12.198 6.897 1.00 0.00 C ATOM 822 CD LYS A 761 -1.135 -13.613 7.346 1.00 0.00 C ATOM 823 CE LYS A 761 -0.195 -14.078 8.448 1.00 0.00 C ATOM 824 NZ LYS A 761 -0.026 -15.558 8.444 1.00 0.00 N ATOM 0 H LYS A 761 -1.046 -10.568 4.899 1.00 0.00 H new ATOM 0 HA LYS A 761 1.060 -10.163 6.585 1.00 0.00 H new ATOM 0 HB2 LYS A 761 0.294 -12.735 5.145 1.00 0.00 H new ATOM 0 HB3 LYS A 761 1.262 -12.645 6.602 1.00 0.00 H new ATOM 0 HG2 LYS A 761 -0.686 -11.557 7.770 1.00 0.00 H new ATOM 0 HG3 LYS A 761 -1.643 -11.796 6.322 1.00 0.00 H new ATOM 0 HD2 LYS A 761 -2.164 -13.655 7.702 1.00 0.00 H new ATOM 0 HD3 LYS A 761 -1.064 -14.291 6.496 1.00 0.00 H new ATOM 0 HE2 LYS A 761 0.777 -13.601 8.322 1.00 0.00 H new ATOM 0 HE3 LYS A 761 -0.583 -13.759 9.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 761 0.621 -15.836 9.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 761 -0.950 -16.013 8.590 1.00 0.00 H new ATOM 0 HZ3 LYS A 761 0.368 -15.860 7.530 1.00 0.00 H new ATOM 838 N ALA A 762 2.086 -10.825 3.565 1.00 0.00 N ATOM 839 CA ALA A 762 3.257 -10.873 2.700 1.00 0.00 C ATOM 840 C ALA A 762 4.320 -9.881 3.158 1.00 0.00 C ATOM 841 O ALA A 762 5.489 -10.237 3.315 1.00 0.00 O ATOM 842 CB ALA A 762 2.860 -10.595 1.257 1.00 0.00 C ATOM 0 H ALA A 762 1.195 -10.817 3.069 1.00 0.00 H new ATOM 0 HA ALA A 762 3.682 -11.875 2.762 1.00 0.00 H new ATOM 0 HB1 ALA A 762 3.745 -10.634 0.622 1.00 0.00 H new ATOM 0 HB2 ALA A 762 2.143 -11.346 0.926 1.00 0.00 H new ATOM 0 HB3 ALA A 762 2.408 -9.606 1.188 1.00 0.00 H new ATOM 848 N ILE A 763 3.908 -8.636 3.370 1.00 0.00 N ATOM 849 CA ILE A 763 4.826 -7.592 3.811 1.00 0.00 C ATOM 850 C ILE A 763 5.015 -7.629 5.324 1.00 0.00 C ATOM 851 O ILE A 763 4.229 -7.048 6.071 1.00 0.00 O ATOM 852 CB ILE A 763 4.327 -6.194 3.402 1.00 0.00 C ATOM 853 CG1 ILE A 763 4.026 -6.155 1.902 1.00 0.00 C ATOM 854 CG2 ILE A 763 5.357 -5.136 3.768 1.00 0.00 C ATOM 855 CD1 ILE A 763 5.247 -6.367 1.034 1.00 0.00 C ATOM 0 H ILE A 763 2.945 -8.325 3.244 1.00 0.00 H new ATOM 0 HA ILE A 763 5.781 -7.785 3.323 1.00 0.00 H new ATOM 0 HB ILE A 763 3.406 -5.980 3.944 1.00 0.00 H new ATOM 0 HG12 ILE A 763 3.287 -6.921 1.668 1.00 0.00 H new ATOM 0 HG13 ILE A 763 3.577 -5.193 1.655 1.00 0.00 H new ATOM 0 HG21 ILE A 763 4.990 -4.153 3.473 1.00 0.00 H new ATOM 0 HG22 ILE A 763 5.527 -5.151 4.844 1.00 0.00 H new ATOM 0 HG23 ILE A 763 6.293 -5.345 3.250 1.00 0.00 H new ATOM 0 HD11 ILE A 763 4.958 -6.327 -0.016 1.00 0.00 H new ATOM 0 HD12 ILE A 763 5.979 -5.586 1.239 1.00 0.00 H new ATOM 0 HD13 ILE A 763 5.684 -7.341 1.253 1.00 0.00 H new ATOM 867 N GLU A 764 6.063 -8.315 5.767 1.00 0.00 N ATOM 868 CA GLU A 764 6.356 -8.427 7.192 1.00 0.00 C ATOM 869 C GLU A 764 7.120 -7.203 7.688 1.00 0.00 C ATOM 870 O GLU A 764 7.011 -6.818 8.852 1.00 0.00 O ATOM 871 CB GLU A 764 7.165 -9.695 7.471 1.00 0.00 C ATOM 872 CG GLU A 764 8.511 -9.726 6.767 1.00 0.00 C ATOM 873 CD GLU A 764 9.354 -10.920 7.170 1.00 0.00 C ATOM 874 OE1 GLU A 764 8.932 -12.064 6.899 1.00 0.00 O ATOM 875 OE2 GLU A 764 10.436 -10.710 7.757 1.00 0.00 O ATOM 0 H GLU A 764 6.723 -8.802 5.161 1.00 0.00 H new ATOM 0 HA GLU A 764 5.409 -8.484 7.728 1.00 0.00 H new ATOM 0 HB2 GLU A 764 7.324 -9.785 8.546 1.00 0.00 H new ATOM 0 HB3 GLU A 764 6.583 -10.563 7.161 1.00 0.00 H new ATOM 0 HG2 GLU A 764 8.352 -9.746 5.689 1.00 0.00 H new ATOM 0 HG3 GLU A 764 9.056 -8.809 6.992 1.00 0.00 H new ATOM 882 N LYS A 765 7.896 -6.596 6.796 1.00 0.00 N ATOM 883 CA LYS A 765 8.679 -5.415 7.140 1.00 0.00 C ATOM 884 C LYS A 765 7.777 -4.290 7.639 1.00 0.00 C ATOM 885 O LYS A 765 7.170 -3.572 6.846 1.00 0.00 O ATOM 886 CB LYS A 765 9.482 -4.939 5.927 1.00 0.00 C ATOM 887 CG LYS A 765 10.460 -5.976 5.401 1.00 0.00 C ATOM 888 CD LYS A 765 11.507 -5.346 4.497 1.00 0.00 C ATOM 889 CE LYS A 765 12.803 -6.142 4.508 1.00 0.00 C ATOM 890 NZ LYS A 765 13.579 -5.922 5.760 1.00 0.00 N ATOM 0 H LYS A 765 7.999 -6.903 5.829 1.00 0.00 H new ATOM 0 HA LYS A 765 9.367 -5.687 7.940 1.00 0.00 H new ATOM 0 HB2 LYS A 765 8.792 -4.665 5.129 1.00 0.00 H new ATOM 0 HB3 LYS A 765 10.032 -4.037 6.197 1.00 0.00 H new ATOM 0 HG2 LYS A 765 10.951 -6.472 6.238 1.00 0.00 H new ATOM 0 HG3 LYS A 765 9.917 -6.744 4.850 1.00 0.00 H new ATOM 0 HD2 LYS A 765 11.123 -5.288 3.479 1.00 0.00 H new ATOM 0 HD3 LYS A 765 11.703 -4.324 4.822 1.00 0.00 H new ATOM 0 HE2 LYS A 765 12.578 -7.203 4.402 1.00 0.00 H new ATOM 0 HE3 LYS A 765 13.411 -5.858 3.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 765 14.525 -6.342 5.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 765 13.670 -4.901 5.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 765 13.084 -6.369 6.558 1.00 0.00 H new ATOM 904 N MET A 766 7.697 -4.143 8.957 1.00 0.00 N ATOM 905 CA MET A 766 6.871 -3.104 9.561 1.00 0.00 C ATOM 906 C MET A 766 7.159 -1.746 8.929 1.00 0.00 C ATOM 907 O MET A 766 6.245 -0.962 8.673 1.00 0.00 O ATOM 908 CB MET A 766 7.116 -3.040 11.069 1.00 0.00 C ATOM 909 CG MET A 766 6.360 -1.917 11.761 1.00 0.00 C ATOM 910 SD MET A 766 7.191 -1.334 13.251 1.00 0.00 S ATOM 911 CE MET A 766 7.203 0.433 12.963 1.00 0.00 C ATOM 0 H MET A 766 8.194 -4.730 9.627 1.00 0.00 H new ATOM 0 HA MET A 766 5.826 -3.355 9.381 1.00 0.00 H new ATOM 0 HB2 MET A 766 6.827 -3.991 11.516 1.00 0.00 H new ATOM 0 HB3 MET A 766 8.183 -2.914 11.250 1.00 0.00 H new ATOM 0 HG2 MET A 766 6.240 -1.085 11.068 1.00 0.00 H new ATOM 0 HG3 MET A 766 5.360 -2.264 12.020 1.00 0.00 H new ATOM 0 HE1 MET A 766 7.686 0.935 13.801 1.00 0.00 H new ATOM 0 HE2 MET A 766 7.751 0.648 12.046 1.00 0.00 H new ATOM 0 HE3 MET A 766 6.179 0.793 12.866 1.00 0.00 H new ATOM 921 N LYS A 767 8.436 -1.473 8.680 1.00 0.00 N ATOM 922 CA LYS A 767 8.845 -0.210 8.077 1.00 0.00 C ATOM 923 C LYS A 767 8.178 -0.013 6.720 1.00 0.00 C ATOM 924 O LYS A 767 7.632 1.053 6.435 1.00 0.00 O ATOM 925 CB LYS A 767 10.367 -0.166 7.920 1.00 0.00 C ATOM 926 CG LYS A 767 11.105 0.093 9.222 1.00 0.00 C ATOM 927 CD LYS A 767 12.439 0.780 8.980 1.00 0.00 C ATOM 928 CE LYS A 767 13.487 -0.200 8.475 1.00 0.00 C ATOM 929 NZ LYS A 767 14.635 0.498 7.833 1.00 0.00 N ATOM 0 H LYS A 767 9.205 -2.110 8.887 1.00 0.00 H new ATOM 0 HA LYS A 767 8.530 0.598 8.737 1.00 0.00 H new ATOM 0 HB2 LYS A 767 10.708 -1.112 7.501 1.00 0.00 H new ATOM 0 HB3 LYS A 767 10.628 0.613 7.203 1.00 0.00 H new ATOM 0 HG2 LYS A 767 10.489 0.712 9.874 1.00 0.00 H new ATOM 0 HG3 LYS A 767 11.270 -0.851 9.742 1.00 0.00 H new ATOM 0 HD2 LYS A 767 12.310 1.582 8.254 1.00 0.00 H new ATOM 0 HD3 LYS A 767 12.786 1.240 9.905 1.00 0.00 H new ATOM 0 HE2 LYS A 767 13.849 -0.805 9.306 1.00 0.00 H new ATOM 0 HE3 LYS A 767 13.030 -0.883 7.759 1.00 0.00 H new ATOM 0 HZ1 LYS A 767 15.327 -0.204 7.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 767 14.294 1.056 7.024 1.00 0.00 H new ATOM 0 HZ3 LYS A 767 15.087 1.131 8.524 1.00 0.00 H new ATOM 943 N ASP A 768 8.224 -1.047 5.888 1.00 0.00 N ATOM 944 CA ASP A 768 7.621 -0.988 4.561 1.00 0.00 C ATOM 945 C ASP A 768 6.129 -0.685 4.655 1.00 0.00 C ATOM 946 O ASP A 768 5.622 0.204 3.971 1.00 0.00 O ATOM 947 CB ASP A 768 7.841 -2.307 3.819 1.00 0.00 C ATOM 948 CG ASP A 768 9.271 -2.473 3.343 1.00 0.00 C ATOM 949 OD1 ASP A 768 10.186 -1.974 4.031 1.00 0.00 O ATOM 950 OD2 ASP A 768 9.475 -3.102 2.283 1.00 0.00 O ATOM 0 H ASP A 768 8.672 -1.936 6.108 1.00 0.00 H new ATOM 0 HA ASP A 768 8.102 -0.183 4.005 1.00 0.00 H new ATOM 0 HB2 ASP A 768 7.581 -3.137 4.476 1.00 0.00 H new ATOM 0 HB3 ASP A 768 7.168 -2.355 2.963 1.00 0.00 H new ATOM 955 N ARG A 769 5.432 -1.431 5.505 1.00 0.00 N ATOM 956 CA ARG A 769 3.997 -1.243 5.687 1.00 0.00 C ATOM 957 C ARG A 769 3.667 0.228 5.923 1.00 0.00 C ATOM 958 O ARG A 769 2.820 0.800 5.238 1.00 0.00 O ATOM 959 CB ARG A 769 3.496 -2.084 6.863 1.00 0.00 C ATOM 960 CG ARG A 769 3.231 -3.537 6.503 1.00 0.00 C ATOM 961 CD ARG A 769 2.773 -4.336 7.713 1.00 0.00 C ATOM 962 NE ARG A 769 3.900 -4.875 8.471 1.00 0.00 N ATOM 963 CZ ARG A 769 3.778 -5.822 9.394 1.00 0.00 C ATOM 964 NH1 ARG A 769 2.587 -6.333 9.672 1.00 0.00 N ATOM 965 NH2 ARG A 769 4.851 -6.261 10.041 1.00 0.00 N ATOM 0 H ARG A 769 5.837 -2.171 6.079 1.00 0.00 H new ATOM 0 HA ARG A 769 3.495 -1.569 4.776 1.00 0.00 H new ATOM 0 HB2 ARG A 769 4.232 -2.046 7.666 1.00 0.00 H new ATOM 0 HB3 ARG A 769 2.578 -1.641 7.251 1.00 0.00 H new ATOM 0 HG2 ARG A 769 2.471 -3.587 5.724 1.00 0.00 H new ATOM 0 HG3 ARG A 769 4.137 -3.983 6.093 1.00 0.00 H new ATOM 0 HD2 ARG A 769 2.171 -3.699 8.361 1.00 0.00 H new ATOM 0 HD3 ARG A 769 2.132 -5.154 7.386 1.00 0.00 H new ATOM 0 HE ARG A 769 4.831 -4.504 8.281 1.00 0.00 H new ATOM 0 HH11 ARG A 769 1.760 -5.999 9.176 1.00 0.00 H new ATOM 0 HH12 ARG A 769 2.497 -7.060 10.382 1.00 0.00 H new ATOM 0 HH21 ARG A 769 5.769 -5.871 9.829 1.00 0.00 H new ATOM 0 HH22 ARG A 769 4.757 -6.988 10.750 1.00 0.00 H new ATOM 979 N GLU A 770 4.341 0.832 6.896 1.00 0.00 N ATOM 980 CA GLU A 770 4.117 2.235 7.222 1.00 0.00 C ATOM 981 C GLU A 770 4.381 3.124 6.010 1.00 0.00 C ATOM 982 O GLU A 770 3.675 4.106 5.782 1.00 0.00 O ATOM 983 CB GLU A 770 5.015 2.661 8.386 1.00 0.00 C ATOM 984 CG GLU A 770 4.496 3.871 9.144 1.00 0.00 C ATOM 985 CD GLU A 770 5.350 4.214 10.350 1.00 0.00 C ATOM 986 OE1 GLU A 770 5.075 3.677 11.443 1.00 0.00 O ATOM 987 OE2 GLU A 770 6.292 5.020 10.200 1.00 0.00 O ATOM 0 H GLU A 770 5.046 0.372 7.472 1.00 0.00 H new ATOM 0 HA GLU A 770 3.074 2.351 7.516 1.00 0.00 H new ATOM 0 HB2 GLU A 770 5.118 1.826 9.079 1.00 0.00 H new ATOM 0 HB3 GLU A 770 6.011 2.883 8.003 1.00 0.00 H new ATOM 0 HG2 GLU A 770 4.461 4.729 8.472 1.00 0.00 H new ATOM 0 HG3 GLU A 770 3.474 3.680 9.470 1.00 0.00 H new ATOM 994 N ALA A 771 5.402 2.772 5.236 1.00 0.00 N ATOM 995 CA ALA A 771 5.759 3.536 4.047 1.00 0.00 C ATOM 996 C ALA A 771 4.658 3.460 2.995 1.00 0.00 C ATOM 997 O ALA A 771 4.055 4.473 2.637 1.00 0.00 O ATOM 998 CB ALA A 771 7.076 3.035 3.473 1.00 0.00 C ATOM 0 H ALA A 771 5.997 1.962 5.411 1.00 0.00 H new ATOM 0 HA ALA A 771 5.876 4.580 4.338 1.00 0.00 H new ATOM 0 HB1 ALA A 771 7.330 3.615 2.586 1.00 0.00 H new ATOM 0 HB2 ALA A 771 7.864 3.148 4.218 1.00 0.00 H new ATOM 0 HB3 ALA A 771 6.979 1.983 3.204 1.00 0.00 H new ATOM 1004 N LEU A 772 4.400 2.253 2.502 1.00 0.00 N ATOM 1005 CA LEU A 772 3.371 2.044 1.489 1.00 0.00 C ATOM 1006 C LEU A 772 2.030 2.604 1.952 1.00 0.00 C ATOM 1007 O LEU A 772 1.337 3.287 1.199 1.00 0.00 O ATOM 1008 CB LEU A 772 3.233 0.554 1.174 1.00 0.00 C ATOM 1009 CG LEU A 772 4.480 -0.132 0.614 1.00 0.00 C ATOM 1010 CD1 LEU A 772 4.298 -1.641 0.600 1.00 0.00 C ATOM 1011 CD2 LEU A 772 4.790 0.383 -0.784 1.00 0.00 C ATOM 0 H LEU A 772 4.889 1.405 2.787 1.00 0.00 H new ATOM 0 HA LEU A 772 3.673 2.574 0.585 1.00 0.00 H new ATOM 0 HB2 LEU A 772 2.937 0.036 2.086 1.00 0.00 H new ATOM 0 HB3 LEU A 772 2.421 0.428 0.458 1.00 0.00 H new ATOM 0 HG LEU A 772 5.324 0.105 1.262 1.00 0.00 H new ATOM 0 HD11 LEU A 772 5.195 -2.112 0.198 1.00 0.00 H new ATOM 0 HD12 LEU A 772 4.125 -1.996 1.616 1.00 0.00 H new ATOM 0 HD13 LEU A 772 3.443 -1.899 -0.024 1.00 0.00 H new ATOM 0 HD21 LEU A 772 5.680 -0.116 -1.167 1.00 0.00 H new ATOM 0 HD22 LEU A 772 3.947 0.177 -1.443 1.00 0.00 H new ATOM 0 HD23 LEU A 772 4.965 1.458 -0.745 1.00 0.00 H new ATOM 1023 N PHE A 773 1.671 2.311 3.198 1.00 0.00 N ATOM 1024 CA PHE A 773 0.413 2.786 3.762 1.00 0.00 C ATOM 1025 C PHE A 773 0.401 4.309 3.860 1.00 0.00 C ATOM 1026 O PHE A 773 -0.596 4.954 3.538 1.00 0.00 O ATOM 1027 CB PHE A 773 0.187 2.173 5.146 1.00 0.00 C ATOM 1028 CG PHE A 773 -1.050 2.680 5.831 1.00 0.00 C ATOM 1029 CD1 PHE A 773 -2.305 2.250 5.431 1.00 0.00 C ATOM 1030 CD2 PHE A 773 -0.958 3.585 6.876 1.00 0.00 C ATOM 1031 CE1 PHE A 773 -3.445 2.715 6.059 1.00 0.00 C ATOM 1032 CE2 PHE A 773 -2.095 4.054 7.508 1.00 0.00 C ATOM 1033 CZ PHE A 773 -3.339 3.617 7.100 1.00 0.00 C ATOM 0 H PHE A 773 2.233 1.747 3.836 1.00 0.00 H new ATOM 0 HA PHE A 773 -0.394 2.476 3.098 1.00 0.00 H new ATOM 0 HB2 PHE A 773 0.120 1.089 5.048 1.00 0.00 H new ATOM 0 HB3 PHE A 773 1.053 2.384 5.774 1.00 0.00 H new ATOM 0 HD1 PHE A 773 -2.393 1.543 4.619 1.00 0.00 H new ATOM 0 HD2 PHE A 773 0.013 3.928 7.201 1.00 0.00 H new ATOM 0 HE1 PHE A 773 -4.417 2.374 5.736 1.00 0.00 H new ATOM 0 HE2 PHE A 773 -2.010 4.761 8.320 1.00 0.00 H new ATOM 0 HZ PHE A 773 -4.228 3.980 7.594 1.00 0.00 H new ATOM 1043 N ASN A 774 1.516 4.876 4.307 1.00 0.00 N ATOM 1044 CA ASN A 774 1.635 6.322 4.449 1.00 0.00 C ATOM 1045 C ASN A 774 1.363 7.023 3.121 1.00 0.00 C ATOM 1046 O ASN A 774 0.490 7.886 3.031 1.00 0.00 O ATOM 1047 CB ASN A 774 3.029 6.694 4.958 1.00 0.00 C ATOM 1048 CG ASN A 774 3.118 6.668 6.471 1.00 0.00 C ATOM 1049 OD1 ASN A 774 2.102 6.598 7.163 1.00 0.00 O ATOM 1050 ND2 ASN A 774 4.338 6.726 6.993 1.00 0.00 N ATOM 0 H ASN A 774 2.351 4.356 4.577 1.00 0.00 H new ATOM 0 HA ASN A 774 0.891 6.652 5.174 1.00 0.00 H new ATOM 0 HB2 ASN A 774 3.761 6.002 4.542 1.00 0.00 H new ATOM 0 HB3 ASN A 774 3.290 7.689 4.598 1.00 0.00 H new ATOM 0 HD21 ASN A 774 4.461 6.713 8.006 1.00 0.00 H new ATOM 0 HD22 ASN A 774 5.152 6.783 6.381 1.00 0.00 H new ATOM 1057 N GLU A 775 2.116 6.645 2.093 1.00 0.00 N ATOM 1058 CA GLU A 775 1.956 7.237 0.770 1.00 0.00 C ATOM 1059 C GLU A 775 0.512 7.115 0.291 1.00 0.00 C ATOM 1060 O GLU A 775 -0.060 8.067 -0.240 1.00 0.00 O ATOM 1061 CB GLU A 775 2.896 6.564 -0.232 1.00 0.00 C ATOM 1062 CG GLU A 775 2.643 6.973 -1.673 1.00 0.00 C ATOM 1063 CD GLU A 775 3.397 6.109 -2.665 1.00 0.00 C ATOM 1064 OE1 GLU A 775 4.603 6.358 -2.873 1.00 0.00 O ATOM 1065 OE2 GLU A 775 2.781 5.183 -3.234 1.00 0.00 O ATOM 0 H GLU A 775 2.843 5.932 2.151 1.00 0.00 H new ATOM 0 HA GLU A 775 2.210 8.295 0.840 1.00 0.00 H new ATOM 0 HB2 GLU A 775 3.926 6.806 0.030 1.00 0.00 H new ATOM 0 HB3 GLU A 775 2.791 5.482 -0.146 1.00 0.00 H new ATOM 0 HG2 GLU A 775 1.575 6.912 -1.882 1.00 0.00 H new ATOM 0 HG3 GLU A 775 2.935 8.014 -1.808 1.00 0.00 H new ATOM 1072 N PHE A 776 -0.070 5.936 0.481 1.00 0.00 N ATOM 1073 CA PHE A 776 -1.447 5.687 0.067 1.00 0.00 C ATOM 1074 C PHE A 776 -2.397 6.697 0.705 1.00 0.00 C ATOM 1075 O PHE A 776 -3.148 7.383 0.011 1.00 0.00 O ATOM 1076 CB PHE A 776 -1.866 4.265 0.445 1.00 0.00 C ATOM 1077 CG PHE A 776 -3.267 3.922 0.025 1.00 0.00 C ATOM 1078 CD1 PHE A 776 -4.356 4.493 0.664 1.00 0.00 C ATOM 1079 CD2 PHE A 776 -3.495 3.029 -1.010 1.00 0.00 C ATOM 1080 CE1 PHE A 776 -5.645 4.178 0.280 1.00 0.00 C ATOM 1081 CE2 PHE A 776 -4.782 2.711 -1.399 1.00 0.00 C ATOM 1082 CZ PHE A 776 -5.859 3.287 -0.753 1.00 0.00 C ATOM 0 H PHE A 776 0.390 5.138 0.919 1.00 0.00 H new ATOM 0 HA PHE A 776 -1.501 5.798 -1.016 1.00 0.00 H new ATOM 0 HB2 PHE A 776 -1.174 3.557 -0.012 1.00 0.00 H new ATOM 0 HB3 PHE A 776 -1.779 4.144 1.525 1.00 0.00 H new ATOM 0 HD1 PHE A 776 -4.195 5.192 1.471 1.00 0.00 H new ATOM 0 HD2 PHE A 776 -2.657 2.576 -1.519 1.00 0.00 H new ATOM 0 HE1 PHE A 776 -6.485 4.628 0.788 1.00 0.00 H new ATOM 0 HE2 PHE A 776 -4.946 2.013 -2.207 1.00 0.00 H new ATOM 0 HZ PHE A 776 -6.866 3.041 -1.055 1.00 0.00 H new ATOM 1092 N VAL A 777 -2.358 6.781 2.031 1.00 0.00 N ATOM 1093 CA VAL A 777 -3.215 7.706 2.763 1.00 0.00 C ATOM 1094 C VAL A 777 -2.872 9.154 2.430 1.00 0.00 C ATOM 1095 O VAL A 777 -3.745 10.020 2.409 1.00 0.00 O ATOM 1096 CB VAL A 777 -3.094 7.498 4.284 1.00 0.00 C ATOM 1097 CG1 VAL A 777 -3.502 6.083 4.664 1.00 0.00 C ATOM 1098 CG2 VAL A 777 -1.678 7.797 4.752 1.00 0.00 C ATOM 0 H VAL A 777 -1.742 6.220 2.620 1.00 0.00 H new ATOM 0 HA VAL A 777 -4.240 7.499 2.456 1.00 0.00 H new ATOM 0 HB VAL A 777 -3.771 8.192 4.783 1.00 0.00 H new ATOM 0 HG11 VAL A 777 -3.410 5.955 5.743 1.00 0.00 H new ATOM 0 HG12 VAL A 777 -4.536 5.910 4.365 1.00 0.00 H new ATOM 0 HG13 VAL A 777 -2.853 5.369 4.157 1.00 0.00 H new ATOM 0 HG21 VAL A 777 -1.611 7.645 5.829 1.00 0.00 H new ATOM 0 HG22 VAL A 777 -0.979 7.130 4.247 1.00 0.00 H new ATOM 0 HG23 VAL A 777 -1.427 8.831 4.515 1.00 0.00 H new ATOM 1108 N ALA A 778 -1.594 9.408 2.170 1.00 0.00 N ATOM 1109 CA ALA A 778 -1.135 10.750 1.835 1.00 0.00 C ATOM 1110 C ALA A 778 -1.867 11.292 0.612 1.00 0.00 C ATOM 1111 O ALA A 778 -2.337 12.429 0.612 1.00 0.00 O ATOM 1112 CB ALA A 778 0.368 10.750 1.596 1.00 0.00 C ATOM 0 H ALA A 778 -0.858 8.702 2.185 1.00 0.00 H new ATOM 0 HA ALA A 778 -1.358 11.404 2.678 1.00 0.00 H new ATOM 0 HB1 ALA A 778 0.697 11.759 1.347 1.00 0.00 H new ATOM 0 HB2 ALA A 778 0.880 10.414 2.498 1.00 0.00 H new ATOM 0 HB3 ALA A 778 0.605 10.077 0.772 1.00 0.00 H new ATOM 1118 N ALA A 779 -1.960 10.470 -0.428 1.00 0.00 N ATOM 1119 CA ALA A 779 -2.636 10.867 -1.657 1.00 0.00 C ATOM 1120 C ALA A 779 -4.147 10.703 -1.529 1.00 0.00 C ATOM 1121 O ALA A 779 -4.914 11.529 -2.022 1.00 0.00 O ATOM 1122 CB ALA A 779 -2.113 10.056 -2.833 1.00 0.00 C ATOM 0 H ALA A 779 -1.576 9.525 -0.444 1.00 0.00 H new ATOM 0 HA ALA A 779 -2.425 11.921 -1.835 1.00 0.00 H new ATOM 0 HB1 ALA A 779 -2.627 10.363 -3.744 1.00 0.00 H new ATOM 0 HB2 ALA A 779 -1.042 10.227 -2.945 1.00 0.00 H new ATOM 0 HB3 ALA A 779 -2.295 8.996 -2.654 1.00 0.00 H new ATOM 1128 N ALA A 780 -4.567 9.631 -0.865 1.00 0.00 N ATOM 1129 CA ALA A 780 -5.986 9.360 -0.672 1.00 0.00 C ATOM 1130 C ALA A 780 -6.718 10.598 -0.164 1.00 0.00 C ATOM 1131 O ALA A 780 -7.739 11.000 -0.723 1.00 0.00 O ATOM 1132 CB ALA A 780 -6.175 8.199 0.294 1.00 0.00 C ATOM 0 H ALA A 780 -3.945 8.936 -0.452 1.00 0.00 H new ATOM 0 HA ALA A 780 -6.413 9.089 -1.637 1.00 0.00 H new ATOM 0 HB1 ALA A 780 -7.240 8.008 0.429 1.00 0.00 H new ATOM 0 HB2 ALA A 780 -5.694 7.308 -0.110 1.00 0.00 H new ATOM 0 HB3 ALA A 780 -5.727 8.449 1.256 1.00 0.00 H new ATOM 1138 N ARG A 781 -6.190 11.197 0.897 1.00 0.00 N ATOM 1139 CA ARG A 781 -6.794 12.389 1.482 1.00 0.00 C ATOM 1140 C ARG A 781 -6.740 13.560 0.505 1.00 0.00 C ATOM 1141 O ARG A 781 -7.748 14.223 0.257 1.00 0.00 O ATOM 1142 CB ARG A 781 -6.082 12.762 2.783 1.00 0.00 C ATOM 1143 CG ARG A 781 -4.578 12.921 2.630 1.00 0.00 C ATOM 1144 CD ARG A 781 -3.850 12.613 3.929 1.00 0.00 C ATOM 1145 NE ARG A 781 -3.989 13.691 4.904 1.00 0.00 N ATOM 1146 CZ ARG A 781 -3.498 13.635 6.137 1.00 0.00 C ATOM 1147 NH1 ARG A 781 -2.837 12.559 6.542 1.00 0.00 N ATOM 1148 NH2 ARG A 781 -3.665 14.657 6.966 1.00 0.00 N ATOM 0 H ARG A 781 -5.345 10.877 1.370 1.00 0.00 H new ATOM 0 HA ARG A 781 -7.839 12.167 1.700 1.00 0.00 H new ATOM 0 HB2 ARG A 781 -6.501 13.694 3.162 1.00 0.00 H new ATOM 0 HB3 ARG A 781 -6.284 11.995 3.531 1.00 0.00 H new ATOM 0 HG2 ARG A 781 -4.219 12.257 1.844 1.00 0.00 H new ATOM 0 HG3 ARG A 781 -4.349 13.939 2.316 1.00 0.00 H new ATOM 0 HD2 ARG A 781 -4.241 11.688 4.353 1.00 0.00 H new ATOM 0 HD3 ARG A 781 -2.793 12.446 3.721 1.00 0.00 H new ATOM 0 HE ARG A 781 -4.491 14.533 4.623 1.00 0.00 H new ATOM 0 HH11 ARG A 781 -2.705 11.772 5.906 1.00 0.00 H new ATOM 0 HH12 ARG A 781 -2.461 12.518 7.489 1.00 0.00 H new ATOM 0 HH21 ARG A 781 -4.171 15.487 6.657 1.00 0.00 H new ATOM 0 HH22 ARG A 781 -3.288 14.613 7.913 1.00 0.00 H new