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 131:sc= -1.52 (180deg=-4.29!) USER MOD Single : A 727 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 729 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 733 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 734 LYS NZ :NH3+ 177:sc= -2.08 (180deg=-2.26) USER MOD Single : A 735 MET CE :methyl 146:sc= -1.76 (180deg=-3.06!) USER MOD Single : A 736 MET CE :methyl -161:sc= -1.65 (180deg=-2.35) USER MOD Single : A 740 LYS NZ :NH3+ 138:sc= -0.108 (180deg=-1.39!) USER MOD Single : A 742 ASN : amide:sc= 0 X(o=0,f=-0.0048) 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 754 HIS : no HE2:sc= 0.338 K(o=0.34,f=-1.2) USER MOD Single : A 756 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0141) 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= -4.17! C(o=-4.2!,f=-4.8!) USER MOD ----------------------------------------------------------------- ATOM 224 N ILE A 725 10.136 -8.854 -3.317 1.00 0.00 N ATOM 225 CA ILE A 725 9.745 -7.482 -3.019 1.00 0.00 C ATOM 226 C ILE A 725 8.624 -7.017 -3.942 1.00 0.00 C ATOM 227 O ILE A 725 7.576 -6.565 -3.483 1.00 0.00 O ATOM 228 CB ILE A 725 10.938 -6.516 -3.151 1.00 0.00 C ATOM 229 CG1 ILE A 725 11.997 -6.832 -2.094 1.00 0.00 C ATOM 230 CG2 ILE A 725 10.468 -5.075 -3.024 1.00 0.00 C ATOM 231 CD1 ILE A 725 13.342 -6.199 -2.378 1.00 0.00 C ATOM 0 HA ILE A 725 9.391 -7.471 -1.988 1.00 0.00 H new ATOM 0 HB ILE A 725 11.386 -6.646 -4.136 1.00 0.00 H new ATOM 0 HG12 ILE A 725 11.642 -6.490 -1.122 1.00 0.00 H new ATOM 0 HG13 ILE A 725 12.120 -7.913 -2.026 1.00 0.00 H new ATOM 0 HG21 ILE A 725 11.322 -4.404 -3.119 1.00 0.00 H new ATOM 0 HG22 ILE A 725 9.746 -4.857 -3.811 1.00 0.00 H new ATOM 0 HG23 ILE A 725 9.999 -4.930 -2.051 1.00 0.00 H new ATOM 0 HD11 ILE A 725 14.044 -6.466 -1.588 1.00 0.00 H new ATOM 0 HD12 ILE A 725 13.719 -6.560 -3.335 1.00 0.00 H new ATOM 0 HD13 ILE A 725 13.233 -5.115 -2.416 1.00 0.00 H new ATOM 243 N MET A 726 8.853 -7.133 -5.246 1.00 0.00 N ATOM 244 CA MET A 726 7.860 -6.727 -6.235 1.00 0.00 C ATOM 245 C MET A 726 6.529 -7.431 -5.990 1.00 0.00 C ATOM 246 O MET A 726 5.551 -6.803 -5.586 1.00 0.00 O ATOM 247 CB MET A 726 8.360 -7.035 -7.648 1.00 0.00 C ATOM 248 CG MET A 726 9.542 -6.179 -8.074 1.00 0.00 C ATOM 249 SD MET A 726 9.048 -4.529 -8.608 1.00 0.00 S ATOM 250 CE MET A 726 8.919 -3.687 -7.033 1.00 0.00 C ATOM 0 H MET A 726 9.716 -7.504 -5.642 1.00 0.00 H new ATOM 0 HA MET A 726 7.706 -5.652 -6.138 1.00 0.00 H new ATOM 0 HB2 MET A 726 8.644 -8.086 -7.703 1.00 0.00 H new ATOM 0 HB3 MET A 726 7.543 -6.888 -8.354 1.00 0.00 H new ATOM 0 HG2 MET A 726 10.242 -6.093 -7.243 1.00 0.00 H new ATOM 0 HG3 MET A 726 10.072 -6.676 -8.887 1.00 0.00 H new ATOM 0 HE1 MET A 726 9.460 -2.742 -7.080 1.00 0.00 H new ATOM 0 HE2 MET A 726 7.870 -3.494 -6.808 1.00 0.00 H new ATOM 0 HE3 MET A 726 9.349 -4.312 -6.250 1.00 0.00 H new ATOM 260 N GLN A 727 6.501 -8.737 -6.237 1.00 0.00 N ATOM 261 CA GLN A 727 5.289 -9.524 -6.043 1.00 0.00 C ATOM 262 C GLN A 727 4.542 -9.074 -4.793 1.00 0.00 C ATOM 263 O GLN A 727 3.393 -8.638 -4.868 1.00 0.00 O ATOM 264 CB GLN A 727 5.633 -11.011 -5.939 1.00 0.00 C ATOM 265 CG GLN A 727 4.445 -11.929 -6.176 1.00 0.00 C ATOM 266 CD GLN A 727 4.848 -13.384 -6.308 1.00 0.00 C ATOM 267 OE1 GLN A 727 5.979 -13.757 -5.996 1.00 0.00 O ATOM 268 NE2 GLN A 727 3.923 -14.216 -6.772 1.00 0.00 N ATOM 0 H GLN A 727 7.303 -9.272 -6.571 1.00 0.00 H new ATOM 0 HA GLN A 727 4.642 -9.367 -6.906 1.00 0.00 H new ATOM 0 HB2 GLN A 727 6.413 -11.246 -6.663 1.00 0.00 H new ATOM 0 HB3 GLN A 727 6.045 -11.212 -4.950 1.00 0.00 H new ATOM 0 HG2 GLN A 727 3.740 -11.825 -5.351 1.00 0.00 H new ATOM 0 HG3 GLN A 727 3.925 -11.617 -7.081 1.00 0.00 H new ATOM 0 HE21 GLN A 727 2.998 -13.864 -7.019 1.00 0.00 H new ATOM 0 HE22 GLN A 727 4.137 -15.207 -6.882 1.00 0.00 H new ATOM 277 N ALA A 728 5.200 -9.184 -3.644 1.00 0.00 N ATOM 278 CA ALA A 728 4.598 -8.787 -2.377 1.00 0.00 C ATOM 279 C ALA A 728 3.992 -7.391 -2.471 1.00 0.00 C ATOM 280 O ALA A 728 2.820 -7.188 -2.153 1.00 0.00 O ATOM 281 CB ALA A 728 5.632 -8.842 -1.261 1.00 0.00 C ATOM 0 H ALA A 728 6.151 -9.545 -3.564 1.00 0.00 H new ATOM 0 HA ALA A 728 3.795 -9.488 -2.149 1.00 0.00 H new ATOM 0 HB1 ALA A 728 5.169 -8.543 -0.321 1.00 0.00 H new ATOM 0 HB2 ALA A 728 6.015 -9.858 -1.170 1.00 0.00 H new ATOM 0 HB3 ALA A 728 6.453 -8.164 -1.492 1.00 0.00 H new ATOM 287 N LYS A 729 4.798 -6.429 -2.909 1.00 0.00 N ATOM 288 CA LYS A 729 4.342 -5.051 -3.045 1.00 0.00 C ATOM 289 C LYS A 729 3.124 -4.969 -3.959 1.00 0.00 C ATOM 290 O LYS A 729 2.233 -4.147 -3.748 1.00 0.00 O ATOM 291 CB LYS A 729 5.467 -4.172 -3.597 1.00 0.00 C ATOM 292 CG LYS A 729 6.348 -3.564 -2.520 1.00 0.00 C ATOM 293 CD LYS A 729 7.612 -2.960 -3.108 1.00 0.00 C ATOM 294 CE LYS A 729 7.327 -1.640 -3.807 1.00 0.00 C ATOM 295 NZ LYS A 729 8.567 -1.021 -4.352 1.00 0.00 N ATOM 0 H LYS A 729 5.771 -6.579 -3.176 1.00 0.00 H new ATOM 0 HA LYS A 729 4.058 -4.689 -2.057 1.00 0.00 H new ATOM 0 HB2 LYS A 729 6.086 -4.768 -4.268 1.00 0.00 H new ATOM 0 HB3 LYS A 729 5.031 -3.370 -4.193 1.00 0.00 H new ATOM 0 HG2 LYS A 729 5.791 -2.795 -1.985 1.00 0.00 H new ATOM 0 HG3 LYS A 729 6.615 -4.330 -1.792 1.00 0.00 H new ATOM 0 HD2 LYS A 729 8.344 -2.803 -2.316 1.00 0.00 H new ATOM 0 HD3 LYS A 729 8.055 -3.660 -3.817 1.00 0.00 H new ATOM 0 HE2 LYS A 729 6.617 -1.804 -4.617 1.00 0.00 H new ATOM 0 HE3 LYS A 729 6.856 -0.952 -3.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 729 8.330 -0.123 -4.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 729 9.235 -0.840 -3.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 729 9.003 -1.666 -5.041 1.00 0.00 H new ATOM 309 N GLU A 730 3.092 -5.828 -4.973 1.00 0.00 N ATOM 310 CA GLU A 730 1.981 -5.852 -5.918 1.00 0.00 C ATOM 311 C GLU A 730 0.666 -6.154 -5.205 1.00 0.00 C ATOM 312 O GLU A 730 -0.286 -5.377 -5.281 1.00 0.00 O ATOM 313 CB GLU A 730 2.234 -6.895 -7.010 1.00 0.00 C ATOM 314 CG GLU A 730 1.558 -6.569 -8.331 1.00 0.00 C ATOM 315 CD GLU A 730 1.484 -7.765 -9.259 1.00 0.00 C ATOM 316 OE1 GLU A 730 1.203 -8.879 -8.769 1.00 0.00 O ATOM 317 OE2 GLU A 730 1.706 -7.589 -10.475 1.00 0.00 O ATOM 0 H GLU A 730 3.821 -6.516 -5.161 1.00 0.00 H new ATOM 0 HA GLU A 730 1.907 -4.866 -6.377 1.00 0.00 H new ATOM 0 HB2 GLU A 730 3.308 -6.984 -7.173 1.00 0.00 H new ATOM 0 HB3 GLU A 730 1.883 -7.866 -6.662 1.00 0.00 H new ATOM 0 HG2 GLU A 730 0.550 -6.201 -8.138 1.00 0.00 H new ATOM 0 HG3 GLU A 730 2.103 -5.764 -8.825 1.00 0.00 H new ATOM 324 N ASP A 731 0.622 -7.287 -4.514 1.00 0.00 N ATOM 325 CA ASP A 731 -0.575 -7.693 -3.786 1.00 0.00 C ATOM 326 C ASP A 731 -0.980 -6.629 -2.771 1.00 0.00 C ATOM 327 O ASP A 731 -2.164 -6.450 -2.483 1.00 0.00 O ATOM 328 CB ASP A 731 -0.340 -9.028 -3.078 1.00 0.00 C ATOM 329 CG ASP A 731 0.066 -10.129 -4.038 1.00 0.00 C ATOM 330 OD1 ASP A 731 1.112 -9.980 -4.704 1.00 0.00 O ATOM 331 OD2 ASP A 731 -0.662 -11.140 -4.125 1.00 0.00 O ATOM 0 H ASP A 731 1.401 -7.941 -4.442 1.00 0.00 H new ATOM 0 HA ASP A 731 -1.385 -7.811 -4.505 1.00 0.00 H new ATOM 0 HB2 ASP A 731 0.436 -8.904 -2.323 1.00 0.00 H new ATOM 0 HB3 ASP A 731 -1.249 -9.323 -2.555 1.00 0.00 H new ATOM 336 N PHE A 732 0.010 -5.926 -2.231 1.00 0.00 N ATOM 337 CA PHE A 732 -0.243 -4.881 -1.246 1.00 0.00 C ATOM 338 C PHE A 732 -0.882 -3.660 -1.900 1.00 0.00 C ATOM 339 O PHE A 732 -2.043 -3.341 -1.646 1.00 0.00 O ATOM 340 CB PHE A 732 1.059 -4.480 -0.551 1.00 0.00 C ATOM 341 CG PHE A 732 0.849 -3.656 0.687 1.00 0.00 C ATOM 342 CD1 PHE A 732 0.264 -4.212 1.814 1.00 0.00 C ATOM 343 CD2 PHE A 732 1.236 -2.326 0.725 1.00 0.00 C ATOM 344 CE1 PHE A 732 0.069 -3.457 2.955 1.00 0.00 C ATOM 345 CE2 PHE A 732 1.044 -1.566 1.863 1.00 0.00 C ATOM 346 CZ PHE A 732 0.459 -2.132 2.979 1.00 0.00 C ATOM 0 H PHE A 732 0.995 -6.061 -2.459 1.00 0.00 H new ATOM 0 HA PHE A 732 -0.936 -5.277 -0.503 1.00 0.00 H new ATOM 0 HB2 PHE A 732 1.614 -5.381 -0.288 1.00 0.00 H new ATOM 0 HB3 PHE A 732 1.677 -3.918 -1.251 1.00 0.00 H new ATOM 0 HD1 PHE A 732 -0.043 -5.247 1.800 1.00 0.00 H new ATOM 0 HD2 PHE A 732 1.693 -1.878 -0.145 1.00 0.00 H new ATOM 0 HE1 PHE A 732 -0.388 -3.902 3.827 1.00 0.00 H new ATOM 0 HE2 PHE A 732 1.351 -0.531 1.880 1.00 0.00 H new ATOM 0 HZ PHE A 732 0.307 -1.539 3.869 1.00 0.00 H new ATOM 356 N LYS A 733 -0.114 -2.980 -2.745 1.00 0.00 N ATOM 357 CA LYS A 733 -0.602 -1.793 -3.438 1.00 0.00 C ATOM 358 C LYS A 733 -1.998 -2.030 -4.005 1.00 0.00 C ATOM 359 O LYS A 733 -2.870 -1.166 -3.918 1.00 0.00 O ATOM 360 CB LYS A 733 0.358 -1.404 -4.564 1.00 0.00 C ATOM 361 CG LYS A 733 1.604 -0.683 -4.079 1.00 0.00 C ATOM 362 CD LYS A 733 2.187 0.211 -5.161 1.00 0.00 C ATOM 363 CE LYS A 733 3.185 1.204 -4.585 1.00 0.00 C ATOM 364 NZ LYS A 733 2.524 2.463 -4.143 1.00 0.00 N ATOM 0 H LYS A 733 0.850 -3.231 -2.967 1.00 0.00 H new ATOM 0 HA LYS A 733 -0.655 -0.978 -2.717 1.00 0.00 H new ATOM 0 HB2 LYS A 733 0.656 -2.303 -5.103 1.00 0.00 H new ATOM 0 HB3 LYS A 733 -0.168 -0.766 -5.274 1.00 0.00 H new ATOM 0 HG2 LYS A 733 1.360 -0.083 -3.202 1.00 0.00 H new ATOM 0 HG3 LYS A 733 2.351 -1.414 -3.768 1.00 0.00 H new ATOM 0 HD2 LYS A 733 2.677 -0.403 -5.917 1.00 0.00 H new ATOM 0 HD3 LYS A 733 1.383 0.750 -5.661 1.00 0.00 H new ATOM 0 HE2 LYS A 733 3.703 0.750 -3.740 1.00 0.00 H new ATOM 0 HE3 LYS A 733 3.941 1.435 -5.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 733 3.238 3.113 -3.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 733 2.051 2.910 -4.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 733 1.820 2.246 -3.409 1.00 0.00 H new ATOM 378 N LYS A 734 -2.204 -3.208 -4.585 1.00 0.00 N ATOM 379 CA LYS A 734 -3.495 -3.561 -5.164 1.00 0.00 C ATOM 380 C LYS A 734 -4.519 -3.856 -4.072 1.00 0.00 C ATOM 381 O LYS A 734 -5.684 -3.476 -4.182 1.00 0.00 O ATOM 382 CB LYS A 734 -3.349 -4.776 -6.083 1.00 0.00 C ATOM 383 CG LYS A 734 -2.915 -4.421 -7.495 1.00 0.00 C ATOM 384 CD LYS A 734 -3.456 -5.414 -8.510 1.00 0.00 C ATOM 385 CE LYS A 734 -2.606 -6.674 -8.566 1.00 0.00 C ATOM 386 NZ LYS A 734 -1.444 -6.518 -9.483 1.00 0.00 N ATOM 0 H LYS A 734 -1.493 -3.935 -4.666 1.00 0.00 H new ATOM 0 HA LYS A 734 -3.848 -2.711 -5.748 1.00 0.00 H new ATOM 0 HB2 LYS A 734 -2.622 -5.463 -5.650 1.00 0.00 H new ATOM 0 HB3 LYS A 734 -4.301 -5.305 -6.126 1.00 0.00 H new ATOM 0 HG2 LYS A 734 -3.264 -3.419 -7.743 1.00 0.00 H new ATOM 0 HG3 LYS A 734 -1.826 -4.401 -7.548 1.00 0.00 H new ATOM 0 HD2 LYS A 734 -4.482 -5.677 -8.252 1.00 0.00 H new ATOM 0 HD3 LYS A 734 -3.485 -4.949 -9.496 1.00 0.00 H new ATOM 0 HE2 LYS A 734 -2.249 -6.916 -7.565 1.00 0.00 H new ATOM 0 HE3 LYS A 734 -3.220 -7.512 -8.897 1.00 0.00 H new ATOM 0 HZ1 LYS A 734 -0.862 -7.379 -9.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 734 -1.786 -6.363 -10.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 734 -0.872 -5.703 -9.183 1.00 0.00 H new ATOM 400 N MET A 735 -4.075 -4.535 -3.019 1.00 0.00 N ATOM 401 CA MET A 735 -4.953 -4.878 -1.906 1.00 0.00 C ATOM 402 C MET A 735 -5.521 -3.621 -1.255 1.00 0.00 C ATOM 403 O MET A 735 -6.713 -3.551 -0.955 1.00 0.00 O ATOM 404 CB MET A 735 -4.195 -5.707 -0.868 1.00 0.00 C ATOM 405 CG MET A 735 -4.944 -5.868 0.445 1.00 0.00 C ATOM 406 SD MET A 735 -4.008 -6.806 1.668 1.00 0.00 S ATOM 407 CE MET A 735 -2.734 -5.624 2.100 1.00 0.00 C ATOM 0 H MET A 735 -3.113 -4.858 -2.913 1.00 0.00 H new ATOM 0 HA MET A 735 -5.781 -5.469 -2.297 1.00 0.00 H new ATOM 0 HB2 MET A 735 -3.989 -6.694 -1.283 1.00 0.00 H new ATOM 0 HB3 MET A 735 -3.232 -5.236 -0.672 1.00 0.00 H new ATOM 0 HG2 MET A 735 -5.177 -4.883 0.849 1.00 0.00 H new ATOM 0 HG3 MET A 735 -5.894 -6.369 0.258 1.00 0.00 H new ATOM 0 HE1 MET A 735 -2.477 -5.735 3.154 1.00 0.00 H new ATOM 0 HE2 MET A 735 -1.849 -5.804 1.490 1.00 0.00 H new ATOM 0 HE3 MET A 735 -3.099 -4.613 1.920 1.00 0.00 H new ATOM 417 N MET A 736 -4.661 -2.632 -1.038 1.00 0.00 N ATOM 418 CA MET A 736 -5.078 -1.378 -0.422 1.00 0.00 C ATOM 419 C MET A 736 -6.006 -0.599 -1.350 1.00 0.00 C ATOM 420 O MET A 736 -7.030 -0.072 -0.917 1.00 0.00 O ATOM 421 CB MET A 736 -3.857 -0.526 -0.071 1.00 0.00 C ATOM 422 CG MET A 736 -3.162 -0.959 1.210 1.00 0.00 C ATOM 423 SD MET A 736 -2.106 0.331 1.897 1.00 0.00 S ATOM 424 CE MET A 736 -1.013 0.647 0.514 1.00 0.00 C ATOM 0 H MET A 736 -3.671 -2.674 -1.280 1.00 0.00 H new ATOM 0 HA MET A 736 -5.622 -1.615 0.493 1.00 0.00 H new ATOM 0 HB2 MET A 736 -3.144 -0.571 -0.894 1.00 0.00 H new ATOM 0 HB3 MET A 736 -4.166 0.515 0.027 1.00 0.00 H new ATOM 0 HG2 MET A 736 -3.912 -1.241 1.949 1.00 0.00 H new ATOM 0 HG3 MET A 736 -2.562 -1.847 1.011 1.00 0.00 H new ATOM 0 HE1 MET A 736 -0.115 1.153 0.868 1.00 0.00 H new ATOM 0 HE2 MET A 736 -0.737 -0.298 0.045 1.00 0.00 H new ATOM 0 HE3 MET A 736 -1.521 1.279 -0.215 1.00 0.00 H new ATOM 434 N GLU A 737 -5.640 -0.532 -2.626 1.00 0.00 N ATOM 435 CA GLU A 737 -6.440 0.183 -3.613 1.00 0.00 C ATOM 436 C GLU A 737 -7.891 -0.289 -3.583 1.00 0.00 C ATOM 437 O GLU A 737 -8.818 0.517 -3.658 1.00 0.00 O ATOM 438 CB GLU A 737 -5.858 -0.013 -5.014 1.00 0.00 C ATOM 439 CG GLU A 737 -4.758 0.978 -5.360 1.00 0.00 C ATOM 440 CD GLU A 737 -4.529 1.095 -6.854 1.00 0.00 C ATOM 441 OE1 GLU A 737 -5.441 1.577 -7.558 1.00 0.00 O ATOM 442 OE2 GLU A 737 -3.437 0.706 -7.320 1.00 0.00 O ATOM 0 H GLU A 737 -4.795 -0.964 -3.000 1.00 0.00 H new ATOM 0 HA GLU A 737 -6.415 1.244 -3.362 1.00 0.00 H new ATOM 0 HB2 GLU A 737 -5.462 -1.025 -5.096 1.00 0.00 H new ATOM 0 HB3 GLU A 737 -6.660 0.076 -5.747 1.00 0.00 H new ATOM 0 HG2 GLU A 737 -5.017 1.958 -4.958 1.00 0.00 H new ATOM 0 HG3 GLU A 737 -3.831 0.670 -4.877 1.00 0.00 H new ATOM 449 N GLU A 738 -8.078 -1.601 -3.473 1.00 0.00 N ATOM 450 CA GLU A 738 -9.415 -2.180 -3.434 1.00 0.00 C ATOM 451 C GLU A 738 -10.132 -1.809 -2.139 1.00 0.00 C ATOM 452 O GLU A 738 -11.263 -1.323 -2.161 1.00 0.00 O ATOM 453 CB GLU A 738 -9.340 -3.703 -3.570 1.00 0.00 C ATOM 454 CG GLU A 738 -8.973 -4.172 -4.968 1.00 0.00 C ATOM 455 CD GLU A 738 -8.497 -5.611 -4.994 1.00 0.00 C ATOM 456 OE1 GLU A 738 -7.590 -5.949 -4.204 1.00 0.00 O ATOM 457 OE2 GLU A 738 -9.029 -6.398 -5.803 1.00 0.00 O ATOM 0 H GLU A 738 -7.321 -2.282 -3.409 1.00 0.00 H new ATOM 0 HA GLU A 738 -9.982 -1.775 -4.272 1.00 0.00 H new ATOM 0 HB2 GLU A 738 -8.605 -4.087 -2.863 1.00 0.00 H new ATOM 0 HB3 GLU A 738 -10.303 -4.132 -3.293 1.00 0.00 H new ATOM 0 HG2 GLU A 738 -9.839 -4.068 -5.621 1.00 0.00 H new ATOM 0 HG3 GLU A 738 -8.191 -3.527 -5.370 1.00 0.00 H new ATOM 464 N ALA A 739 -9.466 -2.043 -1.013 1.00 0.00 N ATOM 465 CA ALA A 739 -10.038 -1.732 0.291 1.00 0.00 C ATOM 466 C ALA A 739 -10.480 -0.274 0.364 1.00 0.00 C ATOM 467 O ALA A 739 -11.399 0.071 1.106 1.00 0.00 O ATOM 468 CB ALA A 739 -9.035 -2.037 1.393 1.00 0.00 C ATOM 0 H ALA A 739 -8.530 -2.447 -0.978 1.00 0.00 H new ATOM 0 HA ALA A 739 -10.919 -2.358 0.432 1.00 0.00 H new ATOM 0 HB1 ALA A 739 -9.475 -1.800 2.362 1.00 0.00 H new ATOM 0 HB2 ALA A 739 -8.772 -3.094 1.363 1.00 0.00 H new ATOM 0 HB3 ALA A 739 -8.138 -1.435 1.245 1.00 0.00 H new ATOM 474 N LYS A 740 -9.818 0.579 -0.411 1.00 0.00 N ATOM 475 CA LYS A 740 -10.142 2.000 -0.436 1.00 0.00 C ATOM 476 C LYS A 740 -10.535 2.493 0.953 1.00 0.00 C ATOM 477 O LYS A 740 -11.410 3.347 1.095 1.00 0.00 O ATOM 478 CB LYS A 740 -11.279 2.268 -1.424 1.00 0.00 C ATOM 479 CG LYS A 740 -12.581 1.578 -1.056 1.00 0.00 C ATOM 480 CD LYS A 740 -13.680 1.889 -2.057 1.00 0.00 C ATOM 481 CE LYS A 740 -14.413 3.173 -1.700 1.00 0.00 C ATOM 482 NZ LYS A 740 -13.723 4.375 -2.245 1.00 0.00 N ATOM 0 H LYS A 740 -9.053 0.310 -1.030 1.00 0.00 H new ATOM 0 HA LYS A 740 -9.254 2.544 -0.758 1.00 0.00 H new ATOM 0 HB2 LYS A 740 -11.451 3.343 -1.483 1.00 0.00 H new ATOM 0 HB3 LYS A 740 -10.971 1.939 -2.417 1.00 0.00 H new ATOM 0 HG2 LYS A 740 -12.423 0.500 -1.012 1.00 0.00 H new ATOM 0 HG3 LYS A 740 -12.893 1.896 -0.061 1.00 0.00 H new ATOM 0 HD2 LYS A 740 -13.250 1.980 -3.054 1.00 0.00 H new ATOM 0 HD3 LYS A 740 -14.389 1.061 -2.090 1.00 0.00 H new ATOM 0 HE2 LYS A 740 -15.430 3.131 -2.089 1.00 0.00 H new ATOM 0 HE3 LYS A 740 -14.489 3.258 -0.616 1.00 0.00 H new ATOM 0 HZ1 LYS A 740 -14.428 5.034 -2.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 740 -13.191 4.844 -1.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 740 -13.068 4.087 -2.999 1.00 0.00 H new ATOM 496 N PHE A 741 -9.881 1.950 1.975 1.00 0.00 N ATOM 497 CA PHE A 741 -10.163 2.336 3.354 1.00 0.00 C ATOM 498 C PHE A 741 -10.102 3.851 3.518 1.00 0.00 C ATOM 499 O PHE A 741 -9.868 4.582 2.556 1.00 0.00 O ATOM 500 CB PHE A 741 -9.168 1.668 4.305 1.00 0.00 C ATOM 501 CG PHE A 741 -7.733 1.967 3.979 1.00 0.00 C ATOM 502 CD1 PHE A 741 -7.227 3.248 4.131 1.00 0.00 C ATOM 503 CD2 PHE A 741 -6.889 0.968 3.521 1.00 0.00 C ATOM 504 CE1 PHE A 741 -5.907 3.527 3.830 1.00 0.00 C ATOM 505 CE2 PHE A 741 -5.568 1.240 3.219 1.00 0.00 C ATOM 506 CZ PHE A 741 -5.076 2.521 3.375 1.00 0.00 C ATOM 0 H PHE A 741 -9.153 1.242 1.875 1.00 0.00 H new ATOM 0 HA PHE A 741 -11.171 2.002 3.600 1.00 0.00 H new ATOM 0 HB2 PHE A 741 -9.376 1.995 5.324 1.00 0.00 H new ATOM 0 HB3 PHE A 741 -9.321 0.589 4.279 1.00 0.00 H new ATOM 0 HD1 PHE A 741 -7.871 4.037 4.489 1.00 0.00 H new ATOM 0 HD2 PHE A 741 -7.268 -0.036 3.398 1.00 0.00 H new ATOM 0 HE1 PHE A 741 -5.526 4.530 3.950 1.00 0.00 H new ATOM 0 HE2 PHE A 741 -4.922 0.452 2.862 1.00 0.00 H new ATOM 0 HZ PHE A 741 -4.044 2.736 3.142 1.00 0.00 H new ATOM 516 N ASN A 742 -10.314 4.316 4.745 1.00 0.00 N ATOM 517 CA ASN A 742 -10.285 5.745 5.036 1.00 0.00 C ATOM 518 C ASN A 742 -8.899 6.176 5.507 1.00 0.00 C ATOM 519 O ASN A 742 -8.198 5.444 6.205 1.00 0.00 O ATOM 520 CB ASN A 742 -11.328 6.091 6.101 1.00 0.00 C ATOM 521 CG ASN A 742 -12.732 5.699 5.683 1.00 0.00 C ATOM 522 OD1 ASN A 742 -13.194 6.061 4.601 1.00 0.00 O ATOM 523 ND2 ASN A 742 -13.419 4.956 6.543 1.00 0.00 N ATOM 0 H ASN A 742 -10.508 3.725 5.553 1.00 0.00 H new ATOM 0 HA ASN A 742 -10.521 6.282 4.118 1.00 0.00 H new ATOM 0 HB2 ASN A 742 -11.074 5.585 7.032 1.00 0.00 H new ATOM 0 HB3 ASN A 742 -11.297 7.162 6.302 1.00 0.00 H new ATOM 0 HD21 ASN A 742 -14.369 4.662 6.318 1.00 0.00 H new ATOM 0 HD22 ASN A 742 -12.996 4.679 7.429 1.00 0.00 H new ATOM 530 N PRO A 743 -8.494 7.394 5.117 1.00 0.00 N ATOM 531 CA PRO A 743 -7.190 7.951 5.488 1.00 0.00 C ATOM 532 C PRO A 743 -7.106 8.291 6.972 1.00 0.00 C ATOM 533 O PRO A 743 -6.036 8.215 7.576 1.00 0.00 O ATOM 534 CB PRO A 743 -7.093 9.223 4.642 1.00 0.00 C ATOM 535 CG PRO A 743 -8.508 9.609 4.376 1.00 0.00 C ATOM 536 CD PRO A 743 -9.278 8.321 4.284 1.00 0.00 C ATOM 0 HA PRO A 743 -6.380 7.243 5.312 1.00 0.00 H new ATOM 0 HB2 PRO A 743 -6.560 10.012 5.173 1.00 0.00 H new ATOM 0 HB3 PRO A 743 -6.551 9.041 3.714 1.00 0.00 H new ATOM 0 HG2 PRO A 743 -8.897 10.240 5.175 1.00 0.00 H new ATOM 0 HG3 PRO A 743 -8.590 10.179 3.451 1.00 0.00 H new ATOM 0 HD2 PRO A 743 -10.296 8.434 4.657 1.00 0.00 H new ATOM 0 HD3 PRO A 743 -9.353 7.971 3.255 1.00 0.00 H new ATOM 544 N ARG A 744 -8.241 8.664 7.554 1.00 0.00 N ATOM 545 CA ARG A 744 -8.295 9.016 8.968 1.00 0.00 C ATOM 546 C ARG A 744 -7.765 7.877 9.833 1.00 0.00 C ATOM 547 O ARG A 744 -7.131 8.108 10.862 1.00 0.00 O ATOM 548 CB ARG A 744 -9.730 9.356 9.376 1.00 0.00 C ATOM 549 CG ARG A 744 -10.733 8.266 9.038 1.00 0.00 C ATOM 550 CD ARG A 744 -12.113 8.844 8.766 1.00 0.00 C ATOM 551 NE ARG A 744 -12.871 9.053 9.997 1.00 0.00 N ATOM 552 CZ ARG A 744 -14.158 9.385 10.021 1.00 0.00 C ATOM 553 NH1 ARG A 744 -14.825 9.544 8.887 1.00 0.00 N ATOM 554 NH2 ARG A 744 -14.778 9.557 11.181 1.00 0.00 N ATOM 0 H ARG A 744 -9.136 8.730 7.068 1.00 0.00 H new ATOM 0 HA ARG A 744 -7.663 9.891 9.123 1.00 0.00 H new ATOM 0 HB2 ARG A 744 -9.759 9.544 10.449 1.00 0.00 H new ATOM 0 HB3 ARG A 744 -10.030 10.280 8.882 1.00 0.00 H new ATOM 0 HG2 ARG A 744 -10.390 7.713 8.164 1.00 0.00 H new ATOM 0 HG3 ARG A 744 -10.791 7.555 9.862 1.00 0.00 H new ATOM 0 HD2 ARG A 744 -12.011 9.792 8.238 1.00 0.00 H new ATOM 0 HD3 ARG A 744 -12.665 8.171 8.110 1.00 0.00 H new ATOM 0 HE ARG A 744 -12.386 8.938 10.887 1.00 0.00 H new ATOM 0 HH11 ARG A 744 -14.351 9.412 7.994 1.00 0.00 H new ATOM 0 HH12 ARG A 744 -15.812 9.799 8.908 1.00 0.00 H new ATOM 0 HH21 ARG A 744 -14.267 9.435 12.055 1.00 0.00 H new ATOM 0 HH22 ARG A 744 -15.766 9.812 11.199 1.00 0.00 H new ATOM 568 N ALA A 745 -8.029 6.646 9.407 1.00 0.00 N ATOM 569 CA ALA A 745 -7.578 5.470 10.141 1.00 0.00 C ATOM 570 C ALA A 745 -6.093 5.567 10.474 1.00 0.00 C ATOM 571 O ALA A 745 -5.430 6.545 10.125 1.00 0.00 O ATOM 572 CB ALA A 745 -7.860 4.207 9.341 1.00 0.00 C ATOM 0 H ALA A 745 -8.553 6.437 8.557 1.00 0.00 H new ATOM 0 HA ALA A 745 -8.132 5.424 11.079 1.00 0.00 H new ATOM 0 HB1 ALA A 745 -7.518 3.337 9.902 1.00 0.00 H new ATOM 0 HB2 ALA A 745 -8.931 4.123 9.159 1.00 0.00 H new ATOM 0 HB3 ALA A 745 -7.333 4.255 8.388 1.00 0.00 H new ATOM 578 N THR A 746 -5.574 4.547 11.151 1.00 0.00 N ATOM 579 CA THR A 746 -4.168 4.519 11.532 1.00 0.00 C ATOM 580 C THR A 746 -3.518 3.198 11.136 1.00 0.00 C ATOM 581 O THR A 746 -4.168 2.152 11.127 1.00 0.00 O ATOM 582 CB THR A 746 -3.992 4.731 13.047 1.00 0.00 C ATOM 583 OG1 THR A 746 -2.606 4.647 13.396 1.00 0.00 O ATOM 584 CG2 THR A 746 -4.782 3.696 13.834 1.00 0.00 C ATOM 0 H THR A 746 -6.107 3.729 11.447 1.00 0.00 H new ATOM 0 HA THR A 746 -3.680 5.335 11.000 1.00 0.00 H new ATOM 0 HB THR A 746 -4.370 5.722 13.299 1.00 0.00 H new ATOM 0 HG1 THR A 746 -2.503 4.785 14.361 1.00 0.00 H new ATOM 0 HG21 THR A 746 -4.642 3.866 14.902 1.00 0.00 H new ATOM 0 HG22 THR A 746 -5.840 3.782 13.588 1.00 0.00 H new ATOM 0 HG23 THR A 746 -4.430 2.697 13.577 1.00 0.00 H new ATOM 592 N PHE A 747 -2.231 3.251 10.811 1.00 0.00 N ATOM 593 CA PHE A 747 -1.492 2.058 10.414 1.00 0.00 C ATOM 594 C PHE A 747 -1.914 0.854 11.251 1.00 0.00 C ATOM 595 O PHE A 747 -2.242 -0.204 10.715 1.00 0.00 O ATOM 596 CB PHE A 747 0.013 2.292 10.559 1.00 0.00 C ATOM 597 CG PHE A 747 0.838 1.064 10.301 1.00 0.00 C ATOM 598 CD1 PHE A 747 0.468 0.157 9.322 1.00 0.00 C ATOM 599 CD2 PHE A 747 1.984 0.816 11.040 1.00 0.00 C ATOM 600 CE1 PHE A 747 1.225 -0.974 9.083 1.00 0.00 C ATOM 601 CE2 PHE A 747 2.745 -0.313 10.805 1.00 0.00 C ATOM 602 CZ PHE A 747 2.365 -1.210 9.826 1.00 0.00 C ATOM 0 H PHE A 747 -1.678 4.108 10.815 1.00 0.00 H new ATOM 0 HA PHE A 747 -1.721 1.850 9.369 1.00 0.00 H new ATOM 0 HB2 PHE A 747 0.319 3.077 9.868 1.00 0.00 H new ATOM 0 HB3 PHE A 747 0.221 2.655 11.566 1.00 0.00 H new ATOM 0 HD1 PHE A 747 -0.423 0.336 8.738 1.00 0.00 H new ATOM 0 HD2 PHE A 747 2.285 1.513 11.808 1.00 0.00 H new ATOM 0 HE1 PHE A 747 0.925 -1.673 8.316 1.00 0.00 H new ATOM 0 HE2 PHE A 747 3.637 -0.494 11.387 1.00 0.00 H new ATOM 0 HZ PHE A 747 2.958 -2.094 9.642 1.00 0.00 H new ATOM 612 N SER A 748 -1.902 1.024 12.569 1.00 0.00 N ATOM 613 CA SER A 748 -2.279 -0.049 13.482 1.00 0.00 C ATOM 614 C SER A 748 -3.605 -0.677 13.064 1.00 0.00 C ATOM 615 O SER A 748 -3.690 -1.885 12.846 1.00 0.00 O ATOM 616 CB SER A 748 -2.382 0.482 14.913 1.00 0.00 C ATOM 617 OG SER A 748 -2.281 -0.570 15.856 1.00 0.00 O ATOM 0 H SER A 748 -1.635 1.895 13.029 1.00 0.00 H new ATOM 0 HA SER A 748 -1.505 -0.815 13.442 1.00 0.00 H new ATOM 0 HB2 SER A 748 -1.592 1.211 15.091 1.00 0.00 H new ATOM 0 HB3 SER A 748 -3.331 1.002 15.044 1.00 0.00 H new ATOM 0 HG SER A 748 -2.348 -0.204 16.763 1.00 0.00 H new ATOM 623 N GLU A 749 -4.638 0.154 12.955 1.00 0.00 N ATOM 624 CA GLU A 749 -5.960 -0.320 12.565 1.00 0.00 C ATOM 625 C GLU A 749 -5.897 -1.086 11.246 1.00 0.00 C ATOM 626 O GLU A 749 -6.339 -2.231 11.158 1.00 0.00 O ATOM 627 CB GLU A 749 -6.931 0.856 12.438 1.00 0.00 C ATOM 628 CG GLU A 749 -7.647 1.197 13.734 1.00 0.00 C ATOM 629 CD GLU A 749 -8.642 0.131 14.149 1.00 0.00 C ATOM 630 OE1 GLU A 749 -9.432 -0.312 13.288 1.00 0.00 O ATOM 631 OE2 GLU A 749 -8.632 -0.261 15.335 1.00 0.00 O ATOM 0 H GLU A 749 -4.584 1.157 13.131 1.00 0.00 H new ATOM 0 HA GLU A 749 -6.318 -0.996 13.341 1.00 0.00 H new ATOM 0 HB2 GLU A 749 -6.383 1.733 12.094 1.00 0.00 H new ATOM 0 HB3 GLU A 749 -7.672 0.623 11.674 1.00 0.00 H new ATOM 0 HG2 GLU A 749 -6.911 1.330 14.527 1.00 0.00 H new ATOM 0 HG3 GLU A 749 -8.167 2.148 13.618 1.00 0.00 H new ATOM 638 N PHE A 750 -5.343 -0.444 10.223 1.00 0.00 N ATOM 639 CA PHE A 750 -5.222 -1.063 8.908 1.00 0.00 C ATOM 640 C PHE A 750 -4.584 -2.445 9.013 1.00 0.00 C ATOM 641 O PHE A 750 -5.069 -3.411 8.426 1.00 0.00 O ATOM 642 CB PHE A 750 -4.393 -0.175 7.977 1.00 0.00 C ATOM 643 CG PHE A 750 -3.944 -0.873 6.726 1.00 0.00 C ATOM 644 CD1 PHE A 750 -4.835 -1.115 5.693 1.00 0.00 C ATOM 645 CD2 PHE A 750 -2.630 -1.289 6.582 1.00 0.00 C ATOM 646 CE1 PHE A 750 -4.425 -1.757 4.540 1.00 0.00 C ATOM 647 CE2 PHE A 750 -2.213 -1.931 5.431 1.00 0.00 C ATOM 648 CZ PHE A 750 -3.112 -2.166 4.409 1.00 0.00 C ATOM 0 H PHE A 750 -4.971 0.504 10.279 1.00 0.00 H new ATOM 0 HA PHE A 750 -6.224 -1.176 8.494 1.00 0.00 H new ATOM 0 HB2 PHE A 750 -4.982 0.701 7.704 1.00 0.00 H new ATOM 0 HB3 PHE A 750 -3.517 0.186 8.517 1.00 0.00 H new ATOM 0 HD1 PHE A 750 -5.863 -0.798 5.790 1.00 0.00 H new ATOM 0 HD2 PHE A 750 -1.923 -1.109 7.379 1.00 0.00 H new ATOM 0 HE1 PHE A 750 -5.130 -1.939 3.742 1.00 0.00 H new ATOM 0 HE2 PHE A 750 -1.186 -2.248 5.331 1.00 0.00 H new ATOM 0 HZ PHE A 750 -2.789 -2.669 3.509 1.00 0.00 H new ATOM 658 N ALA A 751 -3.492 -2.529 9.766 1.00 0.00 N ATOM 659 CA ALA A 751 -2.788 -3.792 9.951 1.00 0.00 C ATOM 660 C ALA A 751 -3.712 -4.857 10.532 1.00 0.00 C ATOM 661 O ALA A 751 -3.736 -5.994 10.063 1.00 0.00 O ATOM 662 CB ALA A 751 -1.577 -3.594 10.850 1.00 0.00 C ATOM 0 H ALA A 751 -3.076 -1.738 10.257 1.00 0.00 H new ATOM 0 HA ALA A 751 -2.450 -4.137 8.974 1.00 0.00 H new ATOM 0 HB1 ALA A 751 -1.061 -4.545 10.980 1.00 0.00 H new ATOM 0 HB2 ALA A 751 -0.899 -2.872 10.394 1.00 0.00 H new ATOM 0 HB3 ALA A 751 -1.902 -3.222 11.822 1.00 0.00 H new ATOM 668 N ALA A 752 -4.472 -4.480 11.555 1.00 0.00 N ATOM 669 CA ALA A 752 -5.399 -5.403 12.199 1.00 0.00 C ATOM 670 C ALA A 752 -6.555 -5.756 11.270 1.00 0.00 C ATOM 671 O ALA A 752 -7.082 -6.868 11.312 1.00 0.00 O ATOM 672 CB ALA A 752 -5.924 -4.804 13.495 1.00 0.00 C ATOM 0 H ALA A 752 -4.464 -3.542 11.956 1.00 0.00 H new ATOM 0 HA ALA A 752 -4.859 -6.321 12.429 1.00 0.00 H new ATOM 0 HB1 ALA A 752 -6.615 -5.504 13.965 1.00 0.00 H new ATOM 0 HB2 ALA A 752 -5.090 -4.608 14.169 1.00 0.00 H new ATOM 0 HB3 ALA A 752 -6.443 -3.870 13.280 1.00 0.00 H new ATOM 678 N LYS A 753 -6.948 -4.802 10.432 1.00 0.00 N ATOM 679 CA LYS A 753 -8.042 -5.012 9.491 1.00 0.00 C ATOM 680 C LYS A 753 -7.719 -6.147 8.525 1.00 0.00 C ATOM 681 O LYS A 753 -8.550 -7.022 8.280 1.00 0.00 O ATOM 682 CB LYS A 753 -8.323 -3.727 8.710 1.00 0.00 C ATOM 683 CG LYS A 753 -9.080 -2.681 9.510 1.00 0.00 C ATOM 684 CD LYS A 753 -9.664 -1.605 8.610 1.00 0.00 C ATOM 685 CE LYS A 753 -10.980 -2.050 7.991 1.00 0.00 C ATOM 686 NZ LYS A 753 -12.130 -1.826 8.911 1.00 0.00 N ATOM 0 H LYS A 753 -6.525 -3.875 10.386 1.00 0.00 H new ATOM 0 HA LYS A 753 -8.930 -5.286 10.060 1.00 0.00 H new ATOM 0 HB2 LYS A 753 -7.377 -3.301 8.375 1.00 0.00 H new ATOM 0 HB3 LYS A 753 -8.896 -3.973 7.816 1.00 0.00 H new ATOM 0 HG2 LYS A 753 -9.881 -3.161 10.072 1.00 0.00 H new ATOM 0 HG3 LYS A 753 -8.410 -2.223 10.238 1.00 0.00 H new ATOM 0 HD2 LYS A 753 -9.822 -0.693 9.186 1.00 0.00 H new ATOM 0 HD3 LYS A 753 -8.952 -1.364 7.820 1.00 0.00 H new ATOM 0 HE2 LYS A 753 -11.147 -1.505 7.062 1.00 0.00 H new ATOM 0 HE3 LYS A 753 -10.921 -3.108 7.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 753 -13.008 -2.142 8.452 1.00 0.00 H new ATOM 0 HZ2 LYS A 753 -11.984 -2.366 9.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 753 -12.202 -0.813 9.136 1.00 0.00 H new ATOM 700 N HIS A 754 -6.507 -6.127 7.980 1.00 0.00 N ATOM 701 CA HIS A 754 -6.074 -7.157 7.042 1.00 0.00 C ATOM 702 C HIS A 754 -4.976 -8.022 7.654 1.00 0.00 C ATOM 703 O HIS A 754 -4.275 -8.745 6.946 1.00 0.00 O ATOM 704 CB HIS A 754 -5.572 -6.518 5.746 1.00 0.00 C ATOM 705 CG HIS A 754 -6.672 -6.025 4.857 1.00 0.00 C ATOM 706 ND1 HIS A 754 -7.104 -6.713 3.742 1.00 0.00 N ATOM 707 CD2 HIS A 754 -7.431 -4.906 4.924 1.00 0.00 C ATOM 708 CE1 HIS A 754 -8.079 -6.037 3.161 1.00 0.00 C ATOM 709 NE2 HIS A 754 -8.297 -4.937 3.859 1.00 0.00 N ATOM 0 H HIS A 754 -5.808 -5.410 8.171 1.00 0.00 H new ATOM 0 HA HIS A 754 -6.931 -7.792 6.817 1.00 0.00 H new ATOM 0 HB2 HIS A 754 -4.914 -5.685 5.992 1.00 0.00 H new ATOM 0 HB3 HIS A 754 -4.973 -7.246 5.199 1.00 0.00 H new ATOM 0 HD1 HIS A 754 -6.729 -7.604 3.417 1.00 0.00 H new ATOM 0 HD2 HIS A 754 -7.367 -4.133 5.675 1.00 0.00 H new ATOM 0 HE1 HIS A 754 -8.608 -6.333 2.267 1.00 0.00 H new ATOM 717 N ALA A 755 -4.833 -7.943 8.973 1.00 0.00 N ATOM 718 CA ALA A 755 -3.823 -8.720 9.679 1.00 0.00 C ATOM 719 C ALA A 755 -3.972 -10.210 9.388 1.00 0.00 C ATOM 720 O ALA A 755 -2.988 -10.949 9.360 1.00 0.00 O ATOM 721 CB ALA A 755 -3.910 -8.462 11.176 1.00 0.00 C ATOM 0 H ALA A 755 -5.404 -7.349 9.574 1.00 0.00 H new ATOM 0 HA ALA A 755 -2.843 -8.404 9.322 1.00 0.00 H new ATOM 0 HB1 ALA A 755 -3.150 -9.049 11.691 1.00 0.00 H new ATOM 0 HB2 ALA A 755 -3.746 -7.403 11.373 1.00 0.00 H new ATOM 0 HB3 ALA A 755 -4.897 -8.749 11.538 1.00 0.00 H new ATOM 727 N LYS A 756 -5.209 -10.644 9.171 1.00 0.00 N ATOM 728 CA LYS A 756 -5.488 -12.046 8.880 1.00 0.00 C ATOM 729 C LYS A 756 -5.595 -12.279 7.377 1.00 0.00 C ATOM 730 O LYS A 756 -6.038 -13.339 6.934 1.00 0.00 O ATOM 731 CB LYS A 756 -6.783 -12.482 9.569 1.00 0.00 C ATOM 732 CG LYS A 756 -7.067 -13.969 9.443 1.00 0.00 C ATOM 733 CD LYS A 756 -7.884 -14.482 10.617 1.00 0.00 C ATOM 734 CE LYS A 756 -7.605 -15.952 10.891 1.00 0.00 C ATOM 735 NZ LYS A 756 -7.985 -16.812 9.736 1.00 0.00 N ATOM 0 H LYS A 756 -6.035 -10.045 9.191 1.00 0.00 H new ATOM 0 HA LYS A 756 -4.661 -12.643 9.263 1.00 0.00 H new ATOM 0 HB2 LYS A 756 -6.729 -12.219 10.625 1.00 0.00 H new ATOM 0 HB3 LYS A 756 -7.617 -11.924 9.144 1.00 0.00 H new ATOM 0 HG2 LYS A 756 -7.604 -14.160 8.514 1.00 0.00 H new ATOM 0 HG3 LYS A 756 -6.126 -14.517 9.386 1.00 0.00 H new ATOM 0 HD2 LYS A 756 -7.653 -13.895 11.506 1.00 0.00 H new ATOM 0 HD3 LYS A 756 -8.945 -14.344 10.411 1.00 0.00 H new ATOM 0 HE2 LYS A 756 -6.546 -16.086 11.111 1.00 0.00 H new ATOM 0 HE3 LYS A 756 -8.157 -16.268 11.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 756 -7.860 -17.812 9.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 756 -8.980 -16.640 9.488 1.00 0.00 H new ATOM 0 HZ3 LYS A 756 -7.381 -16.585 8.921 1.00 0.00 H new ATOM 749 N ASP A 757 -5.186 -11.284 6.598 1.00 0.00 N ATOM 750 CA ASP A 757 -5.234 -11.382 5.144 1.00 0.00 C ATOM 751 C ASP A 757 -3.908 -11.891 4.589 1.00 0.00 C ATOM 752 O ASP A 757 -2.903 -11.179 4.603 1.00 0.00 O ATOM 753 CB ASP A 757 -5.569 -10.021 4.530 1.00 0.00 C ATOM 754 CG ASP A 757 -5.639 -10.070 3.017 1.00 0.00 C ATOM 755 OD1 ASP A 757 -4.784 -10.743 2.404 1.00 0.00 O ATOM 756 OD2 ASP A 757 -6.550 -9.436 2.444 1.00 0.00 O ATOM 0 H ASP A 757 -4.817 -10.400 6.949 1.00 0.00 H new ATOM 0 HA ASP A 757 -6.015 -12.094 4.879 1.00 0.00 H new ATOM 0 HB2 ASP A 757 -6.524 -9.673 4.924 1.00 0.00 H new ATOM 0 HB3 ASP A 757 -4.816 -9.294 4.833 1.00 0.00 H new ATOM 761 N SER A 758 -3.911 -13.128 4.102 1.00 0.00 N ATOM 762 CA SER A 758 -2.707 -13.734 3.548 1.00 0.00 C ATOM 763 C SER A 758 -1.877 -12.701 2.791 1.00 0.00 C ATOM 764 O SER A 758 -0.702 -12.491 3.093 1.00 0.00 O ATOM 765 CB SER A 758 -3.075 -14.891 2.616 1.00 0.00 C ATOM 766 OG SER A 758 -3.344 -16.072 3.351 1.00 0.00 O ATOM 0 H SER A 758 -4.734 -13.730 4.080 1.00 0.00 H new ATOM 0 HA SER A 758 -2.110 -14.118 4.375 1.00 0.00 H new ATOM 0 HB2 SER A 758 -3.949 -14.621 2.023 1.00 0.00 H new ATOM 0 HB3 SER A 758 -2.259 -15.072 1.916 1.00 0.00 H new ATOM 0 HG SER A 758 -3.578 -16.796 2.733 1.00 0.00 H new ATOM 772 N ARG A 759 -2.497 -12.060 1.806 1.00 0.00 N ATOM 773 CA ARG A 759 -1.817 -11.050 1.005 1.00 0.00 C ATOM 774 C ARG A 759 -1.134 -10.018 1.897 1.00 0.00 C ATOM 775 O ARG A 759 0.049 -9.720 1.726 1.00 0.00 O ATOM 776 CB ARG A 759 -2.811 -10.354 0.072 1.00 0.00 C ATOM 777 CG ARG A 759 -3.509 -11.302 -0.889 1.00 0.00 C ATOM 778 CD ARG A 759 -2.543 -11.860 -1.922 1.00 0.00 C ATOM 779 NE ARG A 759 -3.136 -12.949 -2.694 1.00 0.00 N ATOM 780 CZ ARG A 759 -3.265 -14.190 -2.236 1.00 0.00 C ATOM 781 NH1 ARG A 759 -2.845 -14.496 -1.016 1.00 0.00 N ATOM 782 NH2 ARG A 759 -3.815 -15.126 -2.998 1.00 0.00 N ATOM 0 H ARG A 759 -3.469 -12.222 1.544 1.00 0.00 H new ATOM 0 HA ARG A 759 -1.055 -11.550 0.407 1.00 0.00 H new ATOM 0 HB2 ARG A 759 -3.562 -9.841 0.673 1.00 0.00 H new ATOM 0 HB3 ARG A 759 -2.285 -9.591 -0.501 1.00 0.00 H new ATOM 0 HG2 ARG A 759 -3.959 -12.122 -0.330 1.00 0.00 H new ATOM 0 HG3 ARG A 759 -4.320 -10.778 -1.394 1.00 0.00 H new ATOM 0 HD2 ARG A 759 -2.235 -11.062 -2.598 1.00 0.00 H new ATOM 0 HD3 ARG A 759 -1.644 -12.219 -1.421 1.00 0.00 H new ATOM 0 HE ARG A 759 -3.469 -12.746 -3.636 1.00 0.00 H new ATOM 0 HH11 ARG A 759 -2.422 -13.778 -0.427 1.00 0.00 H new ATOM 0 HH12 ARG A 759 -2.945 -15.449 -0.666 1.00 0.00 H new ATOM 0 HH21 ARG A 759 -4.140 -14.894 -3.937 1.00 0.00 H new ATOM 0 HH22 ARG A 759 -3.913 -16.078 -2.645 1.00 0.00 H new ATOM 796 N PHE A 760 -1.886 -9.474 2.848 1.00 0.00 N ATOM 797 CA PHE A 760 -1.353 -8.475 3.767 1.00 0.00 C ATOM 798 C PHE A 760 -0.091 -8.986 4.456 1.00 0.00 C ATOM 799 O PHE A 760 0.841 -8.226 4.714 1.00 0.00 O ATOM 800 CB PHE A 760 -2.404 -8.102 4.814 1.00 0.00 C ATOM 801 CG PHE A 760 -1.865 -7.250 5.927 1.00 0.00 C ATOM 802 CD1 PHE A 760 -1.253 -7.829 7.027 1.00 0.00 C ATOM 803 CD2 PHE A 760 -1.971 -5.869 5.874 1.00 0.00 C ATOM 804 CE1 PHE A 760 -0.756 -7.048 8.053 1.00 0.00 C ATOM 805 CE2 PHE A 760 -1.475 -5.083 6.897 1.00 0.00 C ATOM 806 CZ PHE A 760 -0.868 -5.673 7.988 1.00 0.00 C ATOM 0 H PHE A 760 -2.867 -9.708 3.002 1.00 0.00 H new ATOM 0 HA PHE A 760 -1.095 -7.588 3.189 1.00 0.00 H new ATOM 0 HB2 PHE A 760 -3.221 -7.572 4.324 1.00 0.00 H new ATOM 0 HB3 PHE A 760 -2.824 -9.015 5.237 1.00 0.00 H new ATOM 0 HD1 PHE A 760 -1.163 -8.904 7.083 1.00 0.00 H new ATOM 0 HD2 PHE A 760 -2.446 -5.402 5.024 1.00 0.00 H new ATOM 0 HE1 PHE A 760 -0.281 -7.512 8.904 1.00 0.00 H new ATOM 0 HE2 PHE A 760 -1.562 -4.008 6.843 1.00 0.00 H new ATOM 0 HZ PHE A 760 -0.482 -5.060 8.789 1.00 0.00 H new ATOM 816 N LYS A 761 -0.070 -10.282 4.751 1.00 0.00 N ATOM 817 CA LYS A 761 1.076 -10.898 5.410 1.00 0.00 C ATOM 818 C LYS A 761 2.334 -10.754 4.560 1.00 0.00 C ATOM 819 O LYS A 761 3.445 -10.684 5.085 1.00 0.00 O ATOM 820 CB LYS A 761 0.798 -12.378 5.682 1.00 0.00 C ATOM 821 CG LYS A 761 -0.480 -12.623 6.465 1.00 0.00 C ATOM 822 CD LYS A 761 -0.774 -14.108 6.602 1.00 0.00 C ATOM 823 CE LYS A 761 0.062 -14.742 7.702 1.00 0.00 C ATOM 824 NZ LYS A 761 -0.595 -14.626 9.034 1.00 0.00 N ATOM 0 H LYS A 761 -0.834 -10.926 4.544 1.00 0.00 H new ATOM 0 HA LYS A 761 1.238 -10.385 6.358 1.00 0.00 H new ATOM 0 HB2 LYS A 761 0.739 -12.909 4.732 1.00 0.00 H new ATOM 0 HB3 LYS A 761 1.638 -12.802 6.232 1.00 0.00 H new ATOM 0 HG2 LYS A 761 -0.393 -12.176 7.455 1.00 0.00 H new ATOM 0 HG3 LYS A 761 -1.314 -12.131 5.965 1.00 0.00 H new ATOM 0 HD2 LYS A 761 -1.832 -14.252 6.819 1.00 0.00 H new ATOM 0 HD3 LYS A 761 -0.572 -14.609 5.655 1.00 0.00 H new ATOM 0 HE2 LYS A 761 0.230 -15.794 7.470 1.00 0.00 H new ATOM 0 HE3 LYS A 761 1.040 -14.263 7.737 1.00 0.00 H new ATOM 0 HZ1 LYS A 761 0.006 -15.070 9.757 1.00 0.00 H new ATOM 0 HZ2 LYS A 761 -0.733 -13.622 9.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 761 -1.518 -15.105 9.009 1.00 0.00 H new ATOM 838 N ALA A 762 2.152 -10.709 3.244 1.00 0.00 N ATOM 839 CA ALA A 762 3.273 -10.569 2.322 1.00 0.00 C ATOM 840 C ALA A 762 4.108 -9.339 2.656 1.00 0.00 C ATOM 841 O ALA A 762 5.253 -9.216 2.218 1.00 0.00 O ATOM 842 CB ALA A 762 2.770 -10.495 0.888 1.00 0.00 C ATOM 0 H ALA A 762 1.239 -10.767 2.793 1.00 0.00 H new ATOM 0 HA ALA A 762 3.910 -11.447 2.427 1.00 0.00 H new ATOM 0 HB1 ALA A 762 3.617 -10.391 0.210 1.00 0.00 H new ATOM 0 HB2 ALA A 762 2.223 -11.406 0.647 1.00 0.00 H new ATOM 0 HB3 ALA A 762 2.109 -9.635 0.778 1.00 0.00 H new ATOM 848 N ILE A 763 3.530 -8.429 3.433 1.00 0.00 N ATOM 849 CA ILE A 763 4.222 -7.208 3.826 1.00 0.00 C ATOM 850 C ILE A 763 4.455 -7.169 5.332 1.00 0.00 C ATOM 851 O ILE A 763 3.631 -6.649 6.084 1.00 0.00 O ATOM 852 CB ILE A 763 3.433 -5.954 3.407 1.00 0.00 C ATOM 853 CG1 ILE A 763 3.045 -6.039 1.929 1.00 0.00 C ATOM 854 CG2 ILE A 763 4.251 -4.699 3.674 1.00 0.00 C ATOM 855 CD1 ILE A 763 4.230 -6.004 0.990 1.00 0.00 C ATOM 0 H ILE A 763 2.583 -8.515 3.803 1.00 0.00 H new ATOM 0 HA ILE A 763 5.183 -7.211 3.312 1.00 0.00 H new ATOM 0 HB ILE A 763 2.520 -5.902 4.001 1.00 0.00 H new ATOM 0 HG12 ILE A 763 2.486 -6.959 1.761 1.00 0.00 H new ATOM 0 HG13 ILE A 763 2.377 -5.212 1.689 1.00 0.00 H new ATOM 0 HG21 ILE A 763 3.679 -3.821 3.372 1.00 0.00 H new ATOM 0 HG22 ILE A 763 4.481 -4.634 4.737 1.00 0.00 H new ATOM 0 HG23 ILE A 763 5.179 -4.741 3.104 1.00 0.00 H new ATOM 0 HD11 ILE A 763 3.880 -6.068 -0.040 1.00 0.00 H new ATOM 0 HD12 ILE A 763 4.778 -5.072 1.130 1.00 0.00 H new ATOM 0 HD13 ILE A 763 4.888 -6.847 1.203 1.00 0.00 H new ATOM 867 N GLU A 764 5.585 -7.720 5.766 1.00 0.00 N ATOM 868 CA GLU A 764 5.927 -7.746 7.183 1.00 0.00 C ATOM 869 C GLU A 764 6.833 -6.573 7.546 1.00 0.00 C ATOM 870 O GLU A 764 6.693 -5.971 8.611 1.00 0.00 O ATOM 871 CB GLU A 764 6.614 -9.066 7.540 1.00 0.00 C ATOM 872 CG GLU A 764 7.900 -9.310 6.768 1.00 0.00 C ATOM 873 CD GLU A 764 8.530 -10.651 7.093 1.00 0.00 C ATOM 874 OE1 GLU A 764 9.053 -10.803 8.217 1.00 0.00 O ATOM 875 OE2 GLU A 764 8.500 -11.547 6.225 1.00 0.00 O ATOM 0 H GLU A 764 6.278 -8.154 5.157 1.00 0.00 H new ATOM 0 HA GLU A 764 5.003 -7.659 7.755 1.00 0.00 H new ATOM 0 HB2 GLU A 764 6.834 -9.075 8.608 1.00 0.00 H new ATOM 0 HB3 GLU A 764 5.924 -9.888 7.350 1.00 0.00 H new ATOM 0 HG2 GLU A 764 7.693 -9.260 5.699 1.00 0.00 H new ATOM 0 HG3 GLU A 764 8.611 -8.515 6.993 1.00 0.00 H new ATOM 882 N LYS A 765 7.764 -6.254 6.653 1.00 0.00 N ATOM 883 CA LYS A 765 8.693 -5.153 6.876 1.00 0.00 C ATOM 884 C LYS A 765 7.967 -3.930 7.425 1.00 0.00 C ATOM 885 O LYS A 765 7.359 -3.168 6.674 1.00 0.00 O ATOM 886 CB LYS A 765 9.410 -4.791 5.573 1.00 0.00 C ATOM 887 CG LYS A 765 10.698 -5.566 5.352 1.00 0.00 C ATOM 888 CD LYS A 765 11.073 -5.615 3.880 1.00 0.00 C ATOM 889 CE LYS A 765 12.361 -6.394 3.659 1.00 0.00 C ATOM 890 NZ LYS A 765 12.627 -6.627 2.213 1.00 0.00 N ATOM 0 H LYS A 765 7.895 -6.743 5.767 1.00 0.00 H new ATOM 0 HA LYS A 765 9.430 -5.477 7.611 1.00 0.00 H new ATOM 0 HB2 LYS A 765 8.737 -4.974 4.735 1.00 0.00 H new ATOM 0 HB3 LYS A 765 9.634 -3.724 5.575 1.00 0.00 H new ATOM 0 HG2 LYS A 765 11.505 -5.102 5.919 1.00 0.00 H new ATOM 0 HG3 LYS A 765 10.583 -6.581 5.733 1.00 0.00 H new ATOM 0 HD2 LYS A 765 10.265 -6.077 3.313 1.00 0.00 H new ATOM 0 HD3 LYS A 765 11.190 -4.600 3.499 1.00 0.00 H new ATOM 0 HE2 LYS A 765 13.196 -5.848 4.098 1.00 0.00 H new ATOM 0 HE3 LYS A 765 12.299 -7.352 4.176 1.00 0.00 H new ATOM 0 HZ1 LYS A 765 13.513 -7.161 2.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 765 11.843 -7.170 1.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 765 12.711 -5.713 1.724 1.00 0.00 H new ATOM 904 N MET A 766 8.035 -3.747 8.740 1.00 0.00 N ATOM 905 CA MET A 766 7.386 -2.614 9.389 1.00 0.00 C ATOM 906 C MET A 766 7.612 -1.331 8.596 1.00 0.00 C ATOM 907 O MET A 766 6.704 -0.512 8.447 1.00 0.00 O ATOM 908 CB MET A 766 7.912 -2.445 10.815 1.00 0.00 C ATOM 909 CG MET A 766 7.006 -1.606 11.701 1.00 0.00 C ATOM 910 SD MET A 766 7.395 -1.778 13.454 1.00 0.00 S ATOM 911 CE MET A 766 5.927 -1.070 14.197 1.00 0.00 C ATOM 0 H MET A 766 8.533 -4.369 9.377 1.00 0.00 H new ATOM 0 HA MET A 766 6.315 -2.814 9.426 1.00 0.00 H new ATOM 0 HB2 MET A 766 8.038 -3.429 11.266 1.00 0.00 H new ATOM 0 HB3 MET A 766 8.899 -1.983 10.777 1.00 0.00 H new ATOM 0 HG2 MET A 766 7.094 -0.558 11.415 1.00 0.00 H new ATOM 0 HG3 MET A 766 5.969 -1.897 11.533 1.00 0.00 H new ATOM 0 HE1 MET A 766 6.016 -1.104 15.283 1.00 0.00 H new ATOM 0 HE2 MET A 766 5.819 -0.035 13.874 1.00 0.00 H new ATOM 0 HE3 MET A 766 5.051 -1.640 13.887 1.00 0.00 H new ATOM 921 N LYS A 767 8.829 -1.160 8.089 1.00 0.00 N ATOM 922 CA LYS A 767 9.175 0.023 7.310 1.00 0.00 C ATOM 923 C LYS A 767 8.330 0.107 6.043 1.00 0.00 C ATOM 924 O LYS A 767 7.743 1.147 5.745 1.00 0.00 O ATOM 925 CB LYS A 767 10.661 0.001 6.945 1.00 0.00 C ATOM 926 CG LYS A 767 11.248 1.381 6.705 1.00 0.00 C ATOM 927 CD LYS A 767 11.407 2.154 8.004 1.00 0.00 C ATOM 928 CE LYS A 767 12.645 1.711 8.768 1.00 0.00 C ATOM 929 NZ LYS A 767 13.869 2.416 8.297 1.00 0.00 N ATOM 0 H LYS A 767 9.592 -1.827 8.204 1.00 0.00 H new ATOM 0 HA LYS A 767 8.970 0.902 7.920 1.00 0.00 H new ATOM 0 HB2 LYS A 767 11.216 -0.487 7.746 1.00 0.00 H new ATOM 0 HB3 LYS A 767 10.798 -0.604 6.049 1.00 0.00 H new ATOM 0 HG2 LYS A 767 12.218 1.285 6.217 1.00 0.00 H new ATOM 0 HG3 LYS A 767 10.603 1.938 6.026 1.00 0.00 H new ATOM 0 HD2 LYS A 767 11.473 3.220 7.788 1.00 0.00 H new ATOM 0 HD3 LYS A 767 10.523 2.009 8.625 1.00 0.00 H new ATOM 0 HE2 LYS A 767 12.503 1.902 9.832 1.00 0.00 H new ATOM 0 HE3 LYS A 767 12.778 0.635 8.652 1.00 0.00 H new ATOM 0 HZ1 LYS A 767 14.691 2.086 8.842 1.00 0.00 H new ATOM 0 HZ2 LYS A 767 14.019 2.214 7.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 767 13.753 3.441 8.431 1.00 0.00 H new ATOM 943 N ASP A 768 8.273 -0.995 5.302 1.00 0.00 N ATOM 944 CA ASP A 768 7.497 -1.046 4.068 1.00 0.00 C ATOM 945 C ASP A 768 6.015 -0.820 4.348 1.00 0.00 C ATOM 946 O ASP A 768 5.329 -0.131 3.593 1.00 0.00 O ATOM 947 CB ASP A 768 7.698 -2.393 3.371 1.00 0.00 C ATOM 948 CG ASP A 768 8.863 -2.375 2.401 1.00 0.00 C ATOM 949 OD1 ASP A 768 8.768 -1.675 1.371 1.00 0.00 O ATOM 950 OD2 ASP A 768 9.871 -3.059 2.674 1.00 0.00 O ATOM 0 H ASP A 768 8.754 -1.864 5.534 1.00 0.00 H new ATOM 0 HA ASP A 768 7.849 -0.250 3.412 1.00 0.00 H new ATOM 0 HB2 ASP A 768 7.866 -3.166 4.121 1.00 0.00 H new ATOM 0 HB3 ASP A 768 6.787 -2.661 2.835 1.00 0.00 H new ATOM 955 N ARG A 769 5.527 -1.405 5.437 1.00 0.00 N ATOM 956 CA ARG A 769 4.126 -1.269 5.815 1.00 0.00 C ATOM 957 C ARG A 769 3.799 0.176 6.180 1.00 0.00 C ATOM 958 O ARG A 769 2.817 0.740 5.699 1.00 0.00 O ATOM 959 CB ARG A 769 3.802 -2.190 6.993 1.00 0.00 C ATOM 960 CG ARG A 769 3.928 -3.668 6.663 1.00 0.00 C ATOM 961 CD ARG A 769 4.206 -4.495 7.909 1.00 0.00 C ATOM 962 NE ARG A 769 2.983 -4.796 8.649 1.00 0.00 N ATOM 963 CZ ARG A 769 2.962 -5.090 9.944 1.00 0.00 C ATOM 964 NH1 ARG A 769 4.091 -5.122 10.639 1.00 0.00 N ATOM 965 NH2 ARG A 769 1.810 -5.352 10.548 1.00 0.00 N ATOM 0 H ARG A 769 6.082 -1.978 6.073 1.00 0.00 H new ATOM 0 HA ARG A 769 3.515 -1.556 4.959 1.00 0.00 H new ATOM 0 HB2 ARG A 769 4.469 -1.953 7.822 1.00 0.00 H new ATOM 0 HB3 ARG A 769 2.786 -1.988 7.333 1.00 0.00 H new ATOM 0 HG2 ARG A 769 3.009 -4.016 6.191 1.00 0.00 H new ATOM 0 HG3 ARG A 769 4.732 -3.814 5.941 1.00 0.00 H new ATOM 0 HD2 ARG A 769 4.696 -5.426 7.624 1.00 0.00 H new ATOM 0 HD3 ARG A 769 4.898 -3.955 8.556 1.00 0.00 H new ATOM 0 HE ARG A 769 2.097 -4.779 8.144 1.00 0.00 H new ATOM 0 HH11 ARG A 769 4.979 -4.920 10.179 1.00 0.00 H new ATOM 0 HH12 ARG A 769 4.071 -5.348 11.633 1.00 0.00 H new ATOM 0 HH21 ARG A 769 0.939 -5.328 10.018 1.00 0.00 H new ATOM 0 HH22 ARG A 769 1.795 -5.578 11.543 1.00 0.00 H new ATOM 979 N GLU A 770 4.629 0.767 7.034 1.00 0.00 N ATOM 980 CA GLU A 770 4.426 2.146 7.464 1.00 0.00 C ATOM 981 C GLU A 770 4.593 3.111 6.294 1.00 0.00 C ATOM 982 O GLU A 770 3.894 4.120 6.204 1.00 0.00 O ATOM 983 CB GLU A 770 5.410 2.505 8.580 1.00 0.00 C ATOM 984 CG GLU A 770 5.106 3.832 9.255 1.00 0.00 C ATOM 985 CD GLU A 770 5.710 3.933 10.642 1.00 0.00 C ATOM 986 OE1 GLU A 770 5.060 3.475 11.605 1.00 0.00 O ATOM 987 OE2 GLU A 770 6.831 4.469 10.764 1.00 0.00 O ATOM 0 H GLU A 770 5.447 0.314 7.441 1.00 0.00 H new ATOM 0 HA GLU A 770 3.408 2.235 7.844 1.00 0.00 H new ATOM 0 HB2 GLU A 770 5.400 1.714 9.330 1.00 0.00 H new ATOM 0 HB3 GLU A 770 6.418 2.539 8.167 1.00 0.00 H new ATOM 0 HG2 GLU A 770 5.487 4.645 8.637 1.00 0.00 H new ATOM 0 HG3 GLU A 770 4.026 3.962 9.323 1.00 0.00 H new ATOM 994 N ALA A 771 5.523 2.793 5.400 1.00 0.00 N ATOM 995 CA ALA A 771 5.781 3.630 4.235 1.00 0.00 C ATOM 996 C ALA A 771 4.653 3.514 3.215 1.00 0.00 C ATOM 997 O ALA A 771 3.903 4.465 2.993 1.00 0.00 O ATOM 998 CB ALA A 771 7.111 3.254 3.599 1.00 0.00 C ATOM 0 H ALA A 771 6.111 1.961 5.460 1.00 0.00 H new ATOM 0 HA ALA A 771 5.830 4.667 4.567 1.00 0.00 H new ATOM 0 HB1 ALA A 771 7.291 3.887 2.730 1.00 0.00 H new ATOM 0 HB2 ALA A 771 7.913 3.395 4.323 1.00 0.00 H new ATOM 0 HB3 ALA A 771 7.083 2.210 3.287 1.00 0.00 H new ATOM 1004 N LEU A 772 4.540 2.344 2.596 1.00 0.00 N ATOM 1005 CA LEU A 772 3.503 2.104 1.599 1.00 0.00 C ATOM 1006 C LEU A 772 2.151 2.617 2.084 1.00 0.00 C ATOM 1007 O LEU A 772 1.373 3.174 1.309 1.00 0.00 O ATOM 1008 CB LEU A 772 3.410 0.610 1.280 1.00 0.00 C ATOM 1009 CG LEU A 772 4.634 -0.010 0.605 1.00 0.00 C ATOM 1010 CD1 LEU A 772 4.608 -1.524 0.739 1.00 0.00 C ATOM 1011 CD2 LEU A 772 4.698 0.397 -0.860 1.00 0.00 C ATOM 0 H LEU A 772 5.153 1.547 2.767 1.00 0.00 H new ATOM 0 HA LEU A 772 3.773 2.647 0.693 1.00 0.00 H new ATOM 0 HB2 LEU A 772 3.221 0.072 2.209 1.00 0.00 H new ATOM 0 HB3 LEU A 772 2.545 0.450 0.637 1.00 0.00 H new ATOM 0 HG LEU A 772 5.528 0.363 1.104 1.00 0.00 H new ATOM 0 HD11 LEU A 772 5.487 -1.947 0.253 1.00 0.00 H new ATOM 0 HD12 LEU A 772 4.611 -1.796 1.795 1.00 0.00 H new ATOM 0 HD13 LEU A 772 3.707 -1.916 0.266 1.00 0.00 H new ATOM 0 HD21 LEU A 772 5.575 -0.053 -1.325 1.00 0.00 H new ATOM 0 HD22 LEU A 772 3.799 0.054 -1.373 1.00 0.00 H new ATOM 0 HD23 LEU A 772 4.765 1.482 -0.933 1.00 0.00 H new ATOM 1023 N PHE A 773 1.879 2.428 3.370 1.00 0.00 N ATOM 1024 CA PHE A 773 0.621 2.873 3.960 1.00 0.00 C ATOM 1025 C PHE A 773 0.605 4.389 4.125 1.00 0.00 C ATOM 1026 O PHE A 773 -0.295 5.069 3.633 1.00 0.00 O ATOM 1027 CB PHE A 773 0.401 2.198 5.315 1.00 0.00 C ATOM 1028 CG PHE A 773 -0.821 2.687 6.037 1.00 0.00 C ATOM 1029 CD1 PHE A 773 -2.081 2.235 5.678 1.00 0.00 C ATOM 1030 CD2 PHE A 773 -0.711 3.598 7.075 1.00 0.00 C ATOM 1031 CE1 PHE A 773 -3.208 2.684 6.340 1.00 0.00 C ATOM 1032 CE2 PHE A 773 -1.835 4.050 7.741 1.00 0.00 C ATOM 1033 CZ PHE A 773 -3.085 3.592 7.374 1.00 0.00 C ATOM 0 H PHE A 773 2.513 1.969 4.025 1.00 0.00 H new ATOM 0 HA PHE A 773 -0.188 2.590 3.286 1.00 0.00 H new ATOM 0 HB2 PHE A 773 0.319 1.121 5.166 1.00 0.00 H new ATOM 0 HB3 PHE A 773 1.276 2.367 5.943 1.00 0.00 H new ATOM 0 HD1 PHE A 773 -2.183 1.524 4.872 1.00 0.00 H new ATOM 0 HD2 PHE A 773 0.264 3.959 7.367 1.00 0.00 H new ATOM 0 HE1 PHE A 773 -4.184 2.325 6.049 1.00 0.00 H new ATOM 0 HE2 PHE A 773 -1.736 4.761 8.548 1.00 0.00 H new ATOM 0 HZ PHE A 773 -3.964 3.943 7.894 1.00 0.00 H new ATOM 1043 N ASN A 774 1.607 4.913 4.824 1.00 0.00 N ATOM 1044 CA ASN A 774 1.708 6.349 5.056 1.00 0.00 C ATOM 1045 C ASN A 774 1.449 7.128 3.770 1.00 0.00 C ATOM 1046 O ASN A 774 0.699 8.104 3.765 1.00 0.00 O ATOM 1047 CB ASN A 774 3.091 6.701 5.609 1.00 0.00 C ATOM 1048 CG ASN A 774 3.179 6.512 7.111 1.00 0.00 C ATOM 1049 OD1 ASN A 774 2.162 6.490 7.805 1.00 0.00 O ATOM 1050 ND2 ASN A 774 4.398 6.376 7.620 1.00 0.00 N ATOM 0 H ASN A 774 2.360 4.365 5.239 1.00 0.00 H new ATOM 0 HA ASN A 774 0.949 6.628 5.787 1.00 0.00 H new ATOM 0 HB2 ASN A 774 3.843 6.079 5.123 1.00 0.00 H new ATOM 0 HB3 ASN A 774 3.325 7.736 5.362 1.00 0.00 H new ATOM 0 HD21 ASN A 774 4.520 6.247 8.624 1.00 0.00 H new ATOM 0 HD22 ASN A 774 5.213 6.401 7.006 1.00 0.00 H new ATOM 1057 N GLU A 775 2.074 6.689 2.682 1.00 0.00 N ATOM 1058 CA GLU A 775 1.910 7.345 1.391 1.00 0.00 C ATOM 1059 C GLU A 775 0.481 7.190 0.878 1.00 0.00 C ATOM 1060 O GLU A 775 -0.188 8.174 0.564 1.00 0.00 O ATOM 1061 CB GLU A 775 2.895 6.768 0.372 1.00 0.00 C ATOM 1062 CG GLU A 775 2.861 7.473 -0.974 1.00 0.00 C ATOM 1063 CD GLU A 775 3.714 8.726 -0.998 1.00 0.00 C ATOM 1064 OE1 GLU A 775 4.950 8.605 -0.859 1.00 0.00 O ATOM 1065 OE2 GLU A 775 3.148 9.827 -1.155 1.00 0.00 O ATOM 0 H GLU A 775 2.698 5.882 2.669 1.00 0.00 H new ATOM 0 HA GLU A 775 2.116 8.407 1.524 1.00 0.00 H new ATOM 0 HB2 GLU A 775 3.904 6.830 0.780 1.00 0.00 H new ATOM 0 HB3 GLU A 775 2.675 5.711 0.225 1.00 0.00 H new ATOM 0 HG2 GLU A 775 3.207 6.788 -1.748 1.00 0.00 H new ATOM 0 HG3 GLU A 775 1.831 7.734 -1.217 1.00 0.00 H new ATOM 1072 N PHE A 776 0.021 5.946 0.796 1.00 0.00 N ATOM 1073 CA PHE A 776 -1.327 5.659 0.320 1.00 0.00 C ATOM 1074 C PHE A 776 -2.337 6.624 0.935 1.00 0.00 C ATOM 1075 O PHE A 776 -3.088 7.291 0.223 1.00 0.00 O ATOM 1076 CB PHE A 776 -1.714 4.217 0.655 1.00 0.00 C ATOM 1077 CG PHE A 776 -3.092 3.842 0.190 1.00 0.00 C ATOM 1078 CD1 PHE A 776 -4.213 4.317 0.851 1.00 0.00 C ATOM 1079 CD2 PHE A 776 -3.266 3.016 -0.908 1.00 0.00 C ATOM 1080 CE1 PHE A 776 -5.482 3.973 0.425 1.00 0.00 C ATOM 1081 CE2 PHE A 776 -4.532 2.668 -1.339 1.00 0.00 C ATOM 1082 CZ PHE A 776 -5.642 3.149 -0.672 1.00 0.00 C ATOM 0 H PHE A 776 0.562 5.120 1.053 1.00 0.00 H new ATOM 0 HA PHE A 776 -1.338 5.788 -0.762 1.00 0.00 H new ATOM 0 HB2 PHE A 776 -0.990 3.540 0.202 1.00 0.00 H new ATOM 0 HB3 PHE A 776 -1.652 4.074 1.734 1.00 0.00 H new ATOM 0 HD1 PHE A 776 -4.094 4.963 1.708 1.00 0.00 H new ATOM 0 HD2 PHE A 776 -2.401 2.639 -1.434 1.00 0.00 H new ATOM 0 HE1 PHE A 776 -6.348 4.348 0.950 1.00 0.00 H new ATOM 0 HE2 PHE A 776 -4.653 2.021 -2.195 1.00 0.00 H new ATOM 0 HZ PHE A 776 -6.633 2.881 -1.008 1.00 0.00 H new ATOM 1092 N VAL A 777 -2.350 6.692 2.263 1.00 0.00 N ATOM 1093 CA VAL A 777 -3.266 7.574 2.975 1.00 0.00 C ATOM 1094 C VAL A 777 -2.966 9.038 2.672 1.00 0.00 C ATOM 1095 O VAL A 777 -3.873 9.865 2.594 1.00 0.00 O ATOM 1096 CB VAL A 777 -3.192 7.350 4.497 1.00 0.00 C ATOM 1097 CG1 VAL A 777 -3.511 5.903 4.840 1.00 0.00 C ATOM 1098 CG2 VAL A 777 -1.821 7.743 5.026 1.00 0.00 C ATOM 0 H VAL A 777 -1.736 6.146 2.867 1.00 0.00 H new ATOM 0 HA VAL A 777 -4.271 7.333 2.629 1.00 0.00 H new ATOM 0 HB VAL A 777 -3.937 7.984 4.977 1.00 0.00 H new ATOM 0 HG11 VAL A 777 -3.454 5.764 5.920 1.00 0.00 H new ATOM 0 HG12 VAL A 777 -4.516 5.661 4.496 1.00 0.00 H new ATOM 0 HG13 VAL A 777 -2.792 5.246 4.351 1.00 0.00 H new ATOM 0 HG21 VAL A 777 -1.786 7.579 6.103 1.00 0.00 H new ATOM 0 HG22 VAL A 777 -1.056 7.136 4.541 1.00 0.00 H new ATOM 0 HG23 VAL A 777 -1.637 8.796 4.814 1.00 0.00 H new ATOM 1108 N ALA A 778 -1.685 9.351 2.501 1.00 0.00 N ATOM 1109 CA ALA A 778 -1.265 10.714 2.205 1.00 0.00 C ATOM 1110 C ALA A 778 -1.944 11.236 0.943 1.00 0.00 C ATOM 1111 O ALA A 778 -2.223 12.428 0.825 1.00 0.00 O ATOM 1112 CB ALA A 778 0.248 10.780 2.058 1.00 0.00 C ATOM 0 H ALA A 778 -0.921 8.678 2.563 1.00 0.00 H new ATOM 0 HA ALA A 778 -1.566 11.349 3.038 1.00 0.00 H new ATOM 0 HB1 ALA A 778 0.548 11.804 1.837 1.00 0.00 H new ATOM 0 HB2 ALA A 778 0.718 10.457 2.987 1.00 0.00 H new ATOM 0 HB3 ALA A 778 0.563 10.126 1.245 1.00 0.00 H new ATOM 1118 N ALA A 779 -2.206 10.334 0.002 1.00 0.00 N ATOM 1119 CA ALA A 779 -2.853 10.704 -1.251 1.00 0.00 C ATOM 1120 C ALA A 779 -4.364 10.514 -1.165 1.00 0.00 C ATOM 1121 O ALA A 779 -5.132 11.374 -1.594 1.00 0.00 O ATOM 1122 CB ALA A 779 -2.282 9.888 -2.401 1.00 0.00 C ATOM 0 H ALA A 779 -1.980 9.343 0.084 1.00 0.00 H new ATOM 0 HA ALA A 779 -2.655 11.760 -1.436 1.00 0.00 H new ATOM 0 HB1 ALA A 779 -2.774 10.175 -3.330 1.00 0.00 H new ATOM 0 HB2 ALA A 779 -1.212 10.076 -2.484 1.00 0.00 H new ATOM 0 HB3 ALA A 779 -2.450 8.828 -2.213 1.00 0.00 H new ATOM 1128 N ALA A 780 -4.783 9.382 -0.608 1.00 0.00 N ATOM 1129 CA ALA A 780 -6.201 9.081 -0.465 1.00 0.00 C ATOM 1130 C ALA A 780 -6.951 10.251 0.162 1.00 0.00 C ATOM 1131 O ALA A 780 -8.119 10.489 -0.146 1.00 0.00 O ATOM 1132 CB ALA A 780 -6.392 7.822 0.369 1.00 0.00 C ATOM 0 H ALA A 780 -4.160 8.659 -0.249 1.00 0.00 H new ATOM 0 HA ALA A 780 -6.613 8.911 -1.460 1.00 0.00 H new ATOM 0 HB1 ALA A 780 -7.456 7.609 0.468 1.00 0.00 H new ATOM 0 HB2 ALA A 780 -5.898 6.983 -0.121 1.00 0.00 H new ATOM 0 HB3 ALA A 780 -5.959 7.971 1.358 1.00 0.00 H new ATOM 1138 N ARG A 781 -6.273 10.978 1.044 1.00 0.00 N ATOM 1139 CA ARG A 781 -6.876 12.123 1.715 1.00 0.00 C ATOM 1140 C ARG A 781 -7.843 12.851 0.787 1.00 0.00 C ATOM 1141 O ARG A 781 -9.050 12.881 1.030 1.00 0.00 O ATOM 1142 CB ARG A 781 -5.791 13.089 2.197 1.00 0.00 C ATOM 1143 CG ARG A 781 -4.695 12.418 3.008 1.00 0.00 C ATOM 1144 CD ARG A 781 -4.093 13.372 4.027 1.00 0.00 C ATOM 1145 NE ARG A 781 -5.080 13.826 5.003 1.00 0.00 N ATOM 1146 CZ ARG A 781 -4.832 14.749 5.925 1.00 0.00 C ATOM 1147 NH1 ARG A 781 -3.635 15.314 5.997 1.00 0.00 N ATOM 1148 NH2 ARG A 781 -5.782 15.109 6.778 1.00 0.00 N ATOM 0 H ARG A 781 -5.306 10.794 1.310 1.00 0.00 H new ATOM 0 HA ARG A 781 -7.434 11.754 2.576 1.00 0.00 H new ATOM 0 HB2 ARG A 781 -5.343 13.580 1.333 1.00 0.00 H new ATOM 0 HB3 ARG A 781 -6.253 13.869 2.802 1.00 0.00 H new ATOM 0 HG2 ARG A 781 -5.102 11.546 3.520 1.00 0.00 H new ATOM 0 HG3 ARG A 781 -3.914 12.059 2.338 1.00 0.00 H new ATOM 0 HD2 ARG A 781 -3.272 12.877 4.546 1.00 0.00 H new ATOM 0 HD3 ARG A 781 -3.671 14.234 3.511 1.00 0.00 H new ATOM 0 HE ARG A 781 -6.011 13.411 4.975 1.00 0.00 H new ATOM 0 HH11 ARG A 781 -2.902 15.040 5.343 1.00 0.00 H new ATOM 0 HH12 ARG A 781 -3.447 16.023 6.706 1.00 0.00 H new ATOM 0 HH21 ARG A 781 -6.704 14.677 6.726 1.00 0.00 H new ATOM 0 HH22 ARG A 781 -5.590 15.818 7.486 1.00 0.00 H new