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 Set 1.1: A 758 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 761 LYS NZ :NH3+ -110:sc= -0.237 (180deg=-2.85!) USER MOD Single : A 726 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 727 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 729 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 733 LYS NZ :NH3+ -141:sc= -1.47 (180deg=-3.82!) USER MOD Single : A 734 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 735 MET CE :methyl -119:sc= -1.26 (180deg=-2.97!) USER MOD Single : A 736 MET CE :methyl -168:sc= -2.12 (180deg=-2.66) USER MOD Single : A 740 LYS NZ :NH3+ 126:sc= -0.115 (180deg=-0.591) USER MOD Single : A 742 ASN : amide:sc= -4.05! C(o=-4.1!,f=-8.1!) 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+ 154:sc= -0.116 (180deg=-0.563) USER MOD Single : A 754 HIS : no HD1:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 756 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0206) 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= -0.627 K(o=-0.63,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 224 N ILE A 725 9.849 -9.315 -2.829 1.00 0.00 N ATOM 225 CA ILE A 725 9.518 -7.957 -2.416 1.00 0.00 C ATOM 226 C ILE A 725 8.585 -7.289 -3.421 1.00 0.00 C ATOM 227 O ILE A 725 7.654 -6.579 -3.042 1.00 0.00 O ATOM 228 CB ILE A 725 10.782 -7.093 -2.252 1.00 0.00 C ATOM 229 CG1 ILE A 725 11.715 -7.708 -1.207 1.00 0.00 C ATOM 230 CG2 ILE A 725 10.406 -5.671 -1.863 1.00 0.00 C ATOM 231 CD1 ILE A 725 13.156 -7.272 -1.352 1.00 0.00 C ATOM 0 HA ILE A 725 9.015 -8.035 -1.452 1.00 0.00 H new ATOM 0 HB ILE A 725 11.307 -7.060 -3.206 1.00 0.00 H new ATOM 0 HG12 ILE A 725 11.361 -7.438 -0.212 1.00 0.00 H new ATOM 0 HG13 ILE A 725 11.663 -8.794 -1.280 1.00 0.00 H new ATOM 0 HG21 ILE A 725 11.311 -5.073 -1.751 1.00 0.00 H new ATOM 0 HG22 ILE A 725 9.777 -5.236 -2.640 1.00 0.00 H new ATOM 0 HG23 ILE A 725 9.861 -5.684 -0.919 1.00 0.00 H new ATOM 0 HD11 ILE A 725 13.759 -7.747 -0.578 1.00 0.00 H new ATOM 0 HD12 ILE A 725 13.528 -7.566 -2.334 1.00 0.00 H new ATOM 0 HD13 ILE A 725 13.221 -6.189 -1.249 1.00 0.00 H new ATOM 243 N MET A 726 8.842 -7.522 -4.704 1.00 0.00 N ATOM 244 CA MET A 726 8.024 -6.944 -5.764 1.00 0.00 C ATOM 245 C MET A 726 6.619 -7.538 -5.750 1.00 0.00 C ATOM 246 O MET A 726 5.647 -6.846 -5.448 1.00 0.00 O ATOM 247 CB MET A 726 8.677 -7.181 -7.127 1.00 0.00 C ATOM 248 CG MET A 726 9.979 -6.421 -7.317 1.00 0.00 C ATOM 249 SD MET A 726 9.727 -4.770 -7.997 1.00 0.00 S ATOM 250 CE MET A 726 11.139 -3.904 -7.315 1.00 0.00 C ATOM 0 H MET A 726 9.610 -8.107 -5.035 1.00 0.00 H new ATOM 0 HA MET A 726 7.948 -5.871 -5.587 1.00 0.00 H new ATOM 0 HB2 MET A 726 8.867 -8.247 -7.249 1.00 0.00 H new ATOM 0 HB3 MET A 726 7.978 -6.890 -7.911 1.00 0.00 H new ATOM 0 HG2 MET A 726 10.491 -6.340 -6.358 1.00 0.00 H new ATOM 0 HG3 MET A 726 10.632 -6.987 -7.981 1.00 0.00 H new ATOM 0 HE1 MET A 726 11.124 -2.866 -7.646 1.00 0.00 H new ATOM 0 HE2 MET A 726 11.096 -3.938 -6.226 1.00 0.00 H new ATOM 0 HE3 MET A 726 12.058 -4.380 -7.657 1.00 0.00 H new ATOM 260 N GLN A 727 6.520 -8.822 -6.079 1.00 0.00 N ATOM 261 CA GLN A 727 5.233 -9.506 -6.105 1.00 0.00 C ATOM 262 C GLN A 727 4.385 -9.117 -4.898 1.00 0.00 C ATOM 263 O GLN A 727 3.220 -8.747 -5.040 1.00 0.00 O ATOM 264 CB GLN A 727 5.438 -11.022 -6.131 1.00 0.00 C ATOM 265 CG GLN A 727 6.318 -11.537 -5.003 1.00 0.00 C ATOM 266 CD GLN A 727 6.811 -12.949 -5.246 1.00 0.00 C ATOM 267 OE1 GLN A 727 7.757 -13.167 -6.003 1.00 0.00 O ATOM 268 NE2 GLN A 727 6.172 -13.919 -4.602 1.00 0.00 N ATOM 0 H GLN A 727 7.315 -9.409 -6.331 1.00 0.00 H new ATOM 0 HA GLN A 727 4.707 -9.202 -7.010 1.00 0.00 H new ATOM 0 HB2 GLN A 727 4.466 -11.513 -6.075 1.00 0.00 H new ATOM 0 HB3 GLN A 727 5.883 -11.304 -7.085 1.00 0.00 H new ATOM 0 HG2 GLN A 727 7.174 -10.873 -4.883 1.00 0.00 H new ATOM 0 HG3 GLN A 727 5.758 -11.508 -4.068 1.00 0.00 H new ATOM 0 HE21 GLN A 727 5.393 -13.693 -3.984 1.00 0.00 H new ATOM 0 HE22 GLN A 727 6.461 -14.889 -4.726 1.00 0.00 H new ATOM 277 N ALA A 728 4.978 -9.204 -3.712 1.00 0.00 N ATOM 278 CA ALA A 728 4.277 -8.859 -2.481 1.00 0.00 C ATOM 279 C ALA A 728 3.820 -7.404 -2.499 1.00 0.00 C ATOM 280 O ALA A 728 2.652 -7.106 -2.248 1.00 0.00 O ATOM 281 CB ALA A 728 5.168 -9.120 -1.276 1.00 0.00 C ATOM 0 H ALA A 728 5.942 -9.510 -3.577 1.00 0.00 H new ATOM 0 HA ALA A 728 3.391 -9.490 -2.407 1.00 0.00 H new ATOM 0 HB1 ALA A 728 4.632 -8.858 -0.364 1.00 0.00 H new ATOM 0 HB2 ALA A 728 5.440 -10.175 -1.247 1.00 0.00 H new ATOM 0 HB3 ALA A 728 6.071 -8.514 -1.353 1.00 0.00 H new ATOM 287 N LYS A 729 4.748 -6.501 -2.795 1.00 0.00 N ATOM 288 CA LYS A 729 4.442 -5.077 -2.846 1.00 0.00 C ATOM 289 C LYS A 729 3.266 -4.806 -3.780 1.00 0.00 C ATOM 290 O LYS A 729 2.467 -3.902 -3.539 1.00 0.00 O ATOM 291 CB LYS A 729 5.667 -4.286 -3.310 1.00 0.00 C ATOM 292 CG LYS A 729 6.575 -3.849 -2.173 1.00 0.00 C ATOM 293 CD LYS A 729 7.633 -2.868 -2.650 1.00 0.00 C ATOM 294 CE LYS A 729 8.705 -2.647 -1.594 1.00 0.00 C ATOM 295 NZ LYS A 729 9.389 -1.336 -1.764 1.00 0.00 N ATOM 0 H LYS A 729 5.720 -6.731 -3.004 1.00 0.00 H new ATOM 0 HA LYS A 729 4.168 -4.755 -1.841 1.00 0.00 H new ATOM 0 HB2 LYS A 729 6.240 -4.896 -4.008 1.00 0.00 H new ATOM 0 HB3 LYS A 729 5.334 -3.404 -3.857 1.00 0.00 H new ATOM 0 HG2 LYS A 729 5.978 -3.388 -1.386 1.00 0.00 H new ATOM 0 HG3 LYS A 729 7.058 -4.723 -1.736 1.00 0.00 H new ATOM 0 HD2 LYS A 729 8.093 -3.244 -3.564 1.00 0.00 H new ATOM 0 HD3 LYS A 729 7.163 -1.916 -2.898 1.00 0.00 H new ATOM 0 HE2 LYS A 729 8.254 -2.695 -0.603 1.00 0.00 H new ATOM 0 HE3 LYS A 729 9.440 -3.450 -1.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 729 10.112 -1.223 -1.025 1.00 0.00 H new ATOM 0 HZ2 LYS A 729 9.841 -1.299 -2.700 1.00 0.00 H new ATOM 0 HZ3 LYS A 729 8.692 -0.568 -1.686 1.00 0.00 H new ATOM 309 N GLU A 730 3.167 -5.597 -4.844 1.00 0.00 N ATOM 310 CA GLU A 730 2.088 -5.441 -5.813 1.00 0.00 C ATOM 311 C GLU A 730 0.741 -5.788 -5.186 1.00 0.00 C ATOM 312 O GLU A 730 -0.214 -5.016 -5.274 1.00 0.00 O ATOM 313 CB GLU A 730 2.338 -6.327 -7.035 1.00 0.00 C ATOM 314 CG GLU A 730 1.180 -6.349 -8.018 1.00 0.00 C ATOM 315 CD GLU A 730 1.272 -5.244 -9.052 1.00 0.00 C ATOM 316 OE1 GLU A 730 2.175 -5.310 -9.912 1.00 0.00 O ATOM 317 OE2 GLU A 730 0.441 -4.313 -9.001 1.00 0.00 O ATOM 0 H GLU A 730 3.820 -6.351 -5.057 1.00 0.00 H new ATOM 0 HA GLU A 730 2.065 -4.398 -6.129 1.00 0.00 H new ATOM 0 HB2 GLU A 730 3.233 -5.978 -7.549 1.00 0.00 H new ATOM 0 HB3 GLU A 730 2.539 -7.345 -6.700 1.00 0.00 H new ATOM 0 HG2 GLU A 730 1.156 -7.314 -8.524 1.00 0.00 H new ATOM 0 HG3 GLU A 730 0.242 -6.253 -7.471 1.00 0.00 H new ATOM 324 N ASP A 731 0.672 -6.955 -4.555 1.00 0.00 N ATOM 325 CA ASP A 731 -0.558 -7.405 -3.913 1.00 0.00 C ATOM 326 C ASP A 731 -0.975 -6.445 -2.804 1.00 0.00 C ATOM 327 O ASP A 731 -2.156 -6.338 -2.473 1.00 0.00 O ATOM 328 CB ASP A 731 -0.374 -8.813 -3.342 1.00 0.00 C ATOM 329 CG ASP A 731 -0.297 -9.871 -4.426 1.00 0.00 C ATOM 330 OD1 ASP A 731 0.490 -9.689 -5.377 1.00 0.00 O ATOM 331 OD2 ASP A 731 -1.026 -10.880 -4.322 1.00 0.00 O ATOM 0 H ASP A 731 1.453 -7.606 -4.474 1.00 0.00 H new ATOM 0 HA ASP A 731 -1.345 -7.426 -4.666 1.00 0.00 H new ATOM 0 HB2 ASP A 731 0.536 -8.843 -2.743 1.00 0.00 H new ATOM 0 HB3 ASP A 731 -1.203 -9.042 -2.673 1.00 0.00 H new ATOM 336 N PHE A 732 0.001 -5.748 -2.232 1.00 0.00 N ATOM 337 CA PHE A 732 -0.264 -4.797 -1.159 1.00 0.00 C ATOM 338 C PHE A 732 -0.924 -3.533 -1.703 1.00 0.00 C ATOM 339 O PHE A 732 -2.104 -3.281 -1.460 1.00 0.00 O ATOM 340 CB PHE A 732 1.034 -4.437 -0.435 1.00 0.00 C ATOM 341 CG PHE A 732 0.820 -3.630 0.814 1.00 0.00 C ATOM 342 CD1 PHE A 732 0.302 -4.220 1.955 1.00 0.00 C ATOM 343 CD2 PHE A 732 1.137 -2.281 0.845 1.00 0.00 C ATOM 344 CE1 PHE A 732 0.105 -3.480 3.106 1.00 0.00 C ATOM 345 CE2 PHE A 732 0.942 -1.537 1.993 1.00 0.00 C ATOM 346 CZ PHE A 732 0.424 -2.136 3.125 1.00 0.00 C ATOM 0 H PHE A 732 0.984 -5.824 -2.494 1.00 0.00 H new ATOM 0 HA PHE A 732 -0.947 -5.267 -0.452 1.00 0.00 H new ATOM 0 HB2 PHE A 732 1.564 -5.354 -0.179 1.00 0.00 H new ATOM 0 HB3 PHE A 732 1.676 -3.877 -1.114 1.00 0.00 H new ATOM 0 HD1 PHE A 732 0.049 -5.270 1.945 1.00 0.00 H new ATOM 0 HD2 PHE A 732 1.541 -1.806 -0.037 1.00 0.00 H new ATOM 0 HE1 PHE A 732 -0.298 -3.952 3.990 1.00 0.00 H new ATOM 0 HE2 PHE A 732 1.195 -0.487 2.005 1.00 0.00 H new ATOM 0 HZ PHE A 732 0.269 -1.555 4.022 1.00 0.00 H new ATOM 356 N LYS A 733 -0.153 -2.741 -2.440 1.00 0.00 N ATOM 357 CA LYS A 733 -0.660 -1.503 -3.021 1.00 0.00 C ATOM 358 C LYS A 733 -2.047 -1.712 -3.622 1.00 0.00 C ATOM 359 O LYS A 733 -2.947 -0.894 -3.432 1.00 0.00 O ATOM 360 CB LYS A 733 0.300 -0.988 -4.095 1.00 0.00 C ATOM 361 CG LYS A 733 1.626 -0.496 -3.540 1.00 0.00 C ATOM 362 CD LYS A 733 2.441 0.226 -4.600 1.00 0.00 C ATOM 363 CE LYS A 733 1.934 1.643 -4.823 1.00 0.00 C ATOM 364 NZ LYS A 733 0.730 1.669 -5.699 1.00 0.00 N ATOM 0 H LYS A 733 0.826 -2.934 -2.649 1.00 0.00 H new ATOM 0 HA LYS A 733 -0.736 -0.762 -2.225 1.00 0.00 H new ATOM 0 HB2 LYS A 733 0.490 -1.785 -4.813 1.00 0.00 H new ATOM 0 HB3 LYS A 733 -0.180 -0.175 -4.640 1.00 0.00 H new ATOM 0 HG2 LYS A 733 1.444 0.175 -2.701 1.00 0.00 H new ATOM 0 HG3 LYS A 733 2.196 -1.341 -3.155 1.00 0.00 H new ATOM 0 HD2 LYS A 733 3.488 0.256 -4.298 1.00 0.00 H new ATOM 0 HD3 LYS A 733 2.396 -0.330 -5.537 1.00 0.00 H new ATOM 0 HE2 LYS A 733 1.694 2.098 -3.862 1.00 0.00 H new ATOM 0 HE3 LYS A 733 2.724 2.245 -5.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 733 0.785 2.486 -6.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 733 0.688 0.792 -6.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 733 -0.125 1.747 -5.112 1.00 0.00 H new ATOM 378 N LYS A 734 -2.213 -2.814 -4.346 1.00 0.00 N ATOM 379 CA LYS A 734 -3.490 -3.133 -4.972 1.00 0.00 C ATOM 380 C LYS A 734 -4.526 -3.531 -3.926 1.00 0.00 C ATOM 381 O LYS A 734 -5.709 -3.220 -4.060 1.00 0.00 O ATOM 382 CB LYS A 734 -3.315 -4.264 -5.988 1.00 0.00 C ATOM 383 CG LYS A 734 -2.372 -3.918 -7.127 1.00 0.00 C ATOM 384 CD LYS A 734 -3.105 -3.242 -8.273 1.00 0.00 C ATOM 385 CE LYS A 734 -2.187 -2.311 -9.050 1.00 0.00 C ATOM 386 NZ LYS A 734 -2.880 -1.696 -10.217 1.00 0.00 N ATOM 0 H LYS A 734 -1.478 -3.501 -4.514 1.00 0.00 H new ATOM 0 HA LYS A 734 -3.845 -2.241 -5.488 1.00 0.00 H new ATOM 0 HB2 LYS A 734 -2.940 -5.149 -5.473 1.00 0.00 H new ATOM 0 HB3 LYS A 734 -4.290 -4.524 -6.401 1.00 0.00 H new ATOM 0 HG2 LYS A 734 -1.583 -3.261 -6.761 1.00 0.00 H new ATOM 0 HG3 LYS A 734 -1.888 -4.826 -7.488 1.00 0.00 H new ATOM 0 HD2 LYS A 734 -3.510 -3.999 -8.944 1.00 0.00 H new ATOM 0 HD3 LYS A 734 -3.951 -2.677 -7.882 1.00 0.00 H new ATOM 0 HE2 LYS A 734 -1.822 -1.525 -8.389 1.00 0.00 H new ATOM 0 HE3 LYS A 734 -1.315 -2.866 -9.396 1.00 0.00 H new ATOM 0 HZ1 LYS A 734 -2.221 -1.068 -10.721 1.00 0.00 H new ATOM 0 HZ2 LYS A 734 -3.206 -2.445 -10.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 734 -3.697 -1.145 -9.885 1.00 0.00 H new ATOM 400 N MET A 735 -4.072 -4.219 -2.883 1.00 0.00 N ATOM 401 CA MET A 735 -4.960 -4.657 -1.812 1.00 0.00 C ATOM 402 C MET A 735 -5.542 -3.461 -1.066 1.00 0.00 C ATOM 403 O MET A 735 -6.700 -3.482 -0.649 1.00 0.00 O ATOM 404 CB MET A 735 -4.208 -5.565 -0.837 1.00 0.00 C ATOM 405 CG MET A 735 -4.940 -5.782 0.478 1.00 0.00 C ATOM 406 SD MET A 735 -3.986 -6.767 1.649 1.00 0.00 S ATOM 407 CE MET A 735 -2.818 -5.547 2.246 1.00 0.00 C ATOM 0 H MET A 735 -3.095 -4.485 -2.757 1.00 0.00 H new ATOM 0 HA MET A 735 -5.781 -5.218 -2.260 1.00 0.00 H new ATOM 0 HB2 MET A 735 -4.036 -6.531 -1.312 1.00 0.00 H new ATOM 0 HB3 MET A 735 -3.229 -5.132 -0.631 1.00 0.00 H new ATOM 0 HG2 MET A 735 -5.170 -4.815 0.925 1.00 0.00 H new ATOM 0 HG3 MET A 735 -5.891 -6.277 0.283 1.00 0.00 H new ATOM 0 HE1 MET A 735 -1.804 -5.868 2.009 1.00 0.00 H new ATOM 0 HE2 MET A 735 -3.017 -4.588 1.767 1.00 0.00 H new ATOM 0 HE3 MET A 735 -2.922 -5.442 3.326 1.00 0.00 H new ATOM 417 N MET A 736 -4.732 -2.420 -0.900 1.00 0.00 N ATOM 418 CA MET A 736 -5.168 -1.215 -0.205 1.00 0.00 C ATOM 419 C MET A 736 -6.112 -0.395 -1.078 1.00 0.00 C ATOM 420 O MET A 736 -7.094 0.164 -0.591 1.00 0.00 O ATOM 421 CB MET A 736 -3.961 -0.367 0.198 1.00 0.00 C ATOM 422 CG MET A 736 -3.216 -0.906 1.408 1.00 0.00 C ATOM 423 SD MET A 736 -2.150 0.330 2.175 1.00 0.00 S ATOM 424 CE MET A 736 -1.089 0.762 0.798 1.00 0.00 C ATOM 0 H MET A 736 -3.770 -2.387 -1.238 1.00 0.00 H new ATOM 0 HA MET A 736 -5.705 -1.519 0.694 1.00 0.00 H new ATOM 0 HB2 MET A 736 -3.272 -0.306 -0.645 1.00 0.00 H new ATOM 0 HB3 MET A 736 -4.295 0.648 0.410 1.00 0.00 H new ATOM 0 HG2 MET A 736 -3.936 -1.265 2.143 1.00 0.00 H new ATOM 0 HG3 MET A 736 -2.614 -1.763 1.107 1.00 0.00 H new ATOM 0 HE1 MET A 736 -0.246 1.351 1.159 1.00 0.00 H new ATOM 0 HE2 MET A 736 -0.720 -0.147 0.324 1.00 0.00 H new ATOM 0 HE3 MET A 736 -1.655 1.346 0.072 1.00 0.00 H new ATOM 434 N GLU A 737 -5.807 -0.327 -2.370 1.00 0.00 N ATOM 435 CA GLU A 737 -6.629 0.426 -3.310 1.00 0.00 C ATOM 436 C GLU A 737 -8.027 -0.176 -3.414 1.00 0.00 C ATOM 437 O GLU A 737 -9.013 0.544 -3.568 1.00 0.00 O ATOM 438 CB GLU A 737 -5.969 0.453 -4.691 1.00 0.00 C ATOM 439 CG GLU A 737 -4.876 1.501 -4.823 1.00 0.00 C ATOM 440 CD GLU A 737 -4.672 1.953 -6.255 1.00 0.00 C ATOM 441 OE1 GLU A 737 -5.363 2.903 -6.681 1.00 0.00 O ATOM 442 OE2 GLU A 737 -3.822 1.359 -6.951 1.00 0.00 O ATOM 0 H GLU A 737 -4.997 -0.784 -2.789 1.00 0.00 H new ATOM 0 HA GLU A 737 -6.719 1.447 -2.938 1.00 0.00 H new ATOM 0 HB2 GLU A 737 -5.546 -0.529 -4.902 1.00 0.00 H new ATOM 0 HB3 GLU A 737 -6.733 0.640 -5.446 1.00 0.00 H new ATOM 0 HG2 GLU A 737 -5.128 2.363 -4.206 1.00 0.00 H new ATOM 0 HG3 GLU A 737 -3.941 1.096 -4.437 1.00 0.00 H new ATOM 449 N GLU A 738 -8.103 -1.500 -3.330 1.00 0.00 N ATOM 450 CA GLU A 738 -9.380 -2.199 -3.417 1.00 0.00 C ATOM 451 C GLU A 738 -10.187 -2.018 -2.134 1.00 0.00 C ATOM 452 O GLU A 738 -11.388 -1.754 -2.176 1.00 0.00 O ATOM 453 CB GLU A 738 -9.155 -3.688 -3.684 1.00 0.00 C ATOM 454 CG GLU A 738 -8.282 -4.369 -2.643 1.00 0.00 C ATOM 455 CD GLU A 738 -8.218 -5.872 -2.828 1.00 0.00 C ATOM 456 OE1 GLU A 738 -7.402 -6.335 -3.652 1.00 0.00 O ATOM 457 OE2 GLU A 738 -8.985 -6.586 -2.148 1.00 0.00 O ATOM 0 H GLU A 738 -7.296 -2.110 -3.202 1.00 0.00 H new ATOM 0 HA GLU A 738 -9.944 -1.770 -4.245 1.00 0.00 H new ATOM 0 HB2 GLU A 738 -10.121 -4.192 -3.721 1.00 0.00 H new ATOM 0 HB3 GLU A 738 -8.695 -3.807 -4.665 1.00 0.00 H new ATOM 0 HG2 GLU A 738 -7.274 -3.957 -2.694 1.00 0.00 H new ATOM 0 HG3 GLU A 738 -8.668 -4.145 -1.648 1.00 0.00 H new ATOM 464 N ALA A 739 -9.517 -2.161 -0.995 1.00 0.00 N ATOM 465 CA ALA A 739 -10.171 -2.012 0.299 1.00 0.00 C ATOM 466 C ALA A 739 -10.915 -0.685 0.389 1.00 0.00 C ATOM 467 O ALA A 739 -12.018 -0.615 0.931 1.00 0.00 O ATOM 468 CB ALA A 739 -9.149 -2.123 1.422 1.00 0.00 C ATOM 0 H ALA A 739 -8.522 -2.380 -0.942 1.00 0.00 H new ATOM 0 HA ALA A 739 -10.900 -2.815 0.404 1.00 0.00 H new ATOM 0 HB1 ALA A 739 -9.651 -2.010 2.383 1.00 0.00 H new ATOM 0 HB2 ALA A 739 -8.665 -3.098 1.378 1.00 0.00 H new ATOM 0 HB3 ALA A 739 -8.399 -1.340 1.310 1.00 0.00 H new ATOM 474 N LYS A 740 -10.306 0.367 -0.147 1.00 0.00 N ATOM 475 CA LYS A 740 -10.911 1.694 -0.129 1.00 0.00 C ATOM 476 C LYS A 740 -11.144 2.166 1.303 1.00 0.00 C ATOM 477 O LYS A 740 -12.158 2.798 1.601 1.00 0.00 O ATOM 478 CB LYS A 740 -12.235 1.684 -0.895 1.00 0.00 C ATOM 479 CG LYS A 740 -12.081 1.963 -2.380 1.00 0.00 C ATOM 480 CD LYS A 740 -13.372 1.697 -3.136 1.00 0.00 C ATOM 481 CE LYS A 740 -13.126 1.564 -4.631 1.00 0.00 C ATOM 482 NZ LYS A 740 -12.274 0.384 -4.950 1.00 0.00 N ATOM 0 H LYS A 740 -9.393 0.327 -0.600 1.00 0.00 H new ATOM 0 HA LYS A 740 -10.223 2.386 -0.614 1.00 0.00 H new ATOM 0 HB2 LYS A 740 -12.713 0.713 -0.764 1.00 0.00 H new ATOM 0 HB3 LYS A 740 -12.902 2.429 -0.461 1.00 0.00 H new ATOM 0 HG2 LYS A 740 -11.780 3.000 -2.527 1.00 0.00 H new ATOM 0 HG3 LYS A 740 -11.285 1.340 -2.787 1.00 0.00 H new ATOM 0 HD2 LYS A 740 -13.834 0.784 -2.760 1.00 0.00 H new ATOM 0 HD3 LYS A 740 -14.076 2.509 -2.953 1.00 0.00 H new ATOM 0 HE2 LYS A 740 -14.080 1.474 -5.150 1.00 0.00 H new ATOM 0 HE3 LYS A 740 -12.646 2.470 -5.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 740 -12.756 -0.213 -5.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 740 -11.364 0.707 -5.337 1.00 0.00 H new ATOM 0 HZ3 LYS A 740 -12.106 -0.167 -4.084 1.00 0.00 H new ATOM 496 N PHE A 741 -10.200 1.856 2.185 1.00 0.00 N ATOM 497 CA PHE A 741 -10.302 2.249 3.585 1.00 0.00 C ATOM 498 C PHE A 741 -10.212 3.765 3.733 1.00 0.00 C ATOM 499 O PHE A 741 -9.974 4.480 2.761 1.00 0.00 O ATOM 500 CB PHE A 741 -9.199 1.579 4.407 1.00 0.00 C ATOM 501 CG PHE A 741 -7.813 1.963 3.975 1.00 0.00 C ATOM 502 CD1 PHE A 741 -7.358 3.262 4.135 1.00 0.00 C ATOM 503 CD2 PHE A 741 -6.964 1.024 3.411 1.00 0.00 C ATOM 504 CE1 PHE A 741 -6.083 3.618 3.738 1.00 0.00 C ATOM 505 CE2 PHE A 741 -5.688 1.374 3.012 1.00 0.00 C ATOM 506 CZ PHE A 741 -5.246 2.673 3.177 1.00 0.00 C ATOM 0 H PHE A 741 -9.355 1.333 1.955 1.00 0.00 H new ATOM 0 HA PHE A 741 -11.273 1.922 3.958 1.00 0.00 H new ATOM 0 HB2 PHE A 741 -9.329 1.841 5.457 1.00 0.00 H new ATOM 0 HB3 PHE A 741 -9.308 0.497 4.332 1.00 0.00 H new ATOM 0 HD1 PHE A 741 -8.007 4.005 4.575 1.00 0.00 H new ATOM 0 HD2 PHE A 741 -7.303 0.007 3.282 1.00 0.00 H new ATOM 0 HE1 PHE A 741 -5.741 4.634 3.866 1.00 0.00 H new ATOM 0 HE2 PHE A 741 -5.037 0.633 2.572 1.00 0.00 H new ATOM 0 HZ PHE A 741 -4.249 2.949 2.868 1.00 0.00 H new ATOM 516 N ASN A 742 -10.405 4.247 4.956 1.00 0.00 N ATOM 517 CA ASN A 742 -10.346 5.678 5.232 1.00 0.00 C ATOM 518 C ASN A 742 -8.936 6.098 5.634 1.00 0.00 C ATOM 519 O ASN A 742 -8.213 5.366 6.310 1.00 0.00 O ATOM 520 CB ASN A 742 -11.335 6.046 6.340 1.00 0.00 C ATOM 521 CG ASN A 742 -11.258 5.098 7.521 1.00 0.00 C ATOM 522 OD1 ASN A 742 -10.171 4.755 7.986 1.00 0.00 O ATOM 523 ND2 ASN A 742 -12.415 4.671 8.014 1.00 0.00 N ATOM 0 H ASN A 742 -10.604 3.668 5.772 1.00 0.00 H new ATOM 0 HA ASN A 742 -10.618 6.209 4.320 1.00 0.00 H new ATOM 0 HB2 ASN A 742 -11.135 7.062 6.679 1.00 0.00 H new ATOM 0 HB3 ASN A 742 -12.348 6.038 5.937 1.00 0.00 H new ATOM 0 HD21 ASN A 742 -12.426 4.033 8.810 1.00 0.00 H new ATOM 0 HD22 ASN A 742 -13.293 4.981 7.597 1.00 0.00 H new ATOM 530 N PRO A 743 -8.534 7.305 5.209 1.00 0.00 N ATOM 531 CA PRO A 743 -7.208 7.850 5.514 1.00 0.00 C ATOM 532 C PRO A 743 -7.053 8.209 6.988 1.00 0.00 C ATOM 533 O PRO A 743 -5.950 8.168 7.534 1.00 0.00 O ATOM 534 CB PRO A 743 -7.135 9.110 4.647 1.00 0.00 C ATOM 535 CG PRO A 743 -8.554 9.510 4.440 1.00 0.00 C ATOM 536 CD PRO A 743 -9.344 8.231 4.400 1.00 0.00 C ATOM 0 HA PRO A 743 -6.415 7.130 5.312 1.00 0.00 H new ATOM 0 HB2 PRO A 743 -6.570 9.899 5.142 1.00 0.00 H new ATOM 0 HB3 PRO A 743 -6.638 8.909 3.698 1.00 0.00 H new ATOM 0 HG2 PRO A 743 -8.899 10.156 5.247 1.00 0.00 H new ATOM 0 HG3 PRO A 743 -8.670 10.069 3.512 1.00 0.00 H new ATOM 0 HD2 PRO A 743 -10.342 8.362 4.818 1.00 0.00 H new ATOM 0 HD3 PRO A 743 -9.470 7.868 3.380 1.00 0.00 H new ATOM 544 N ARG A 744 -8.165 8.558 7.627 1.00 0.00 N ATOM 545 CA ARG A 744 -8.152 8.924 9.039 1.00 0.00 C ATOM 546 C ARG A 744 -7.625 7.775 9.893 1.00 0.00 C ATOM 547 O ARG A 744 -6.887 7.991 10.854 1.00 0.00 O ATOM 548 CB ARG A 744 -9.558 9.314 9.499 1.00 0.00 C ATOM 549 CG ARG A 744 -9.982 10.703 9.052 1.00 0.00 C ATOM 550 CD ARG A 744 -11.064 11.273 9.956 1.00 0.00 C ATOM 551 NE ARG A 744 -11.460 12.620 9.553 1.00 0.00 N ATOM 552 CZ ARG A 744 -12.249 13.402 10.281 1.00 0.00 C ATOM 553 NH1 ARG A 744 -12.724 12.975 11.442 1.00 0.00 N ATOM 554 NH2 ARG A 744 -12.565 14.616 9.847 1.00 0.00 N ATOM 0 H ARG A 744 -9.086 8.595 7.190 1.00 0.00 H new ATOM 0 HA ARG A 744 -7.487 9.779 9.162 1.00 0.00 H new ATOM 0 HB2 ARG A 744 -10.272 8.585 9.116 1.00 0.00 H new ATOM 0 HB3 ARG A 744 -9.602 9.262 10.587 1.00 0.00 H new ATOM 0 HG2 ARG A 744 -9.117 11.367 9.054 1.00 0.00 H new ATOM 0 HG3 ARG A 744 -10.348 10.660 8.026 1.00 0.00 H new ATOM 0 HD2 ARG A 744 -11.935 10.618 9.936 1.00 0.00 H new ATOM 0 HD3 ARG A 744 -10.704 11.293 10.984 1.00 0.00 H new ATOM 0 HE ARG A 744 -11.112 12.980 8.664 1.00 0.00 H new ATOM 0 HH11 ARG A 744 -12.484 12.043 11.779 1.00 0.00 H new ATOM 0 HH12 ARG A 744 -13.330 13.578 11.998 1.00 0.00 H new ATOM 0 HH21 ARG A 744 -12.202 14.949 8.954 1.00 0.00 H new ATOM 0 HH22 ARG A 744 -13.171 15.216 10.407 1.00 0.00 H new ATOM 568 N ALA A 745 -8.011 6.554 9.537 1.00 0.00 N ATOM 569 CA ALA A 745 -7.576 5.372 10.270 1.00 0.00 C ATOM 570 C ALA A 745 -6.071 5.399 10.514 1.00 0.00 C ATOM 571 O ALA A 745 -5.345 6.178 9.896 1.00 0.00 O ATOM 572 CB ALA A 745 -7.968 4.110 9.516 1.00 0.00 C ATOM 0 H ALA A 745 -8.624 6.358 8.746 1.00 0.00 H new ATOM 0 HA ALA A 745 -8.074 5.373 11.240 1.00 0.00 H new ATOM 0 HB1 ALA A 745 -7.637 3.235 10.075 1.00 0.00 H new ATOM 0 HB2 ALA A 745 -9.051 4.078 9.399 1.00 0.00 H new ATOM 0 HB3 ALA A 745 -7.497 4.112 8.533 1.00 0.00 H new ATOM 578 N THR A 746 -5.608 4.544 11.420 1.00 0.00 N ATOM 579 CA THR A 746 -4.189 4.471 11.747 1.00 0.00 C ATOM 580 C THR A 746 -3.585 3.149 11.286 1.00 0.00 C ATOM 581 O THR A 746 -4.239 2.107 11.334 1.00 0.00 O ATOM 582 CB THR A 746 -3.953 4.630 13.261 1.00 0.00 C ATOM 583 OG1 THR A 746 -2.555 4.793 13.524 1.00 0.00 O ATOM 584 CG2 THR A 746 -4.480 3.422 14.021 1.00 0.00 C ATOM 0 H THR A 746 -6.195 3.892 11.941 1.00 0.00 H new ATOM 0 HA THR A 746 -3.701 5.292 11.222 1.00 0.00 H new ATOM 0 HB THR A 746 -4.492 5.515 13.599 1.00 0.00 H new ATOM 0 HG1 THR A 746 -2.413 4.895 14.488 1.00 0.00 H new ATOM 0 HG21 THR A 746 -4.302 3.557 15.088 1.00 0.00 H new ATOM 0 HG22 THR A 746 -5.550 3.318 13.842 1.00 0.00 H new ATOM 0 HG23 THR A 746 -3.966 2.524 13.678 1.00 0.00 H new ATOM 592 N PHE A 747 -2.334 3.199 10.841 1.00 0.00 N ATOM 593 CA PHE A 747 -1.642 2.005 10.371 1.00 0.00 C ATOM 594 C PHE A 747 -1.968 0.804 11.255 1.00 0.00 C ATOM 595 O PHE A 747 -2.326 -0.265 10.761 1.00 0.00 O ATOM 596 CB PHE A 747 -0.131 2.241 10.349 1.00 0.00 C ATOM 597 CG PHE A 747 0.668 0.991 10.114 1.00 0.00 C ATOM 598 CD1 PHE A 747 0.279 0.075 9.150 1.00 0.00 C ATOM 599 CD2 PHE A 747 1.808 0.731 10.858 1.00 0.00 C ATOM 600 CE1 PHE A 747 1.012 -1.076 8.931 1.00 0.00 C ATOM 601 CE2 PHE A 747 2.545 -0.418 10.644 1.00 0.00 C ATOM 602 CZ PHE A 747 2.146 -1.323 9.680 1.00 0.00 C ATOM 0 H PHE A 747 -1.779 4.054 10.796 1.00 0.00 H new ATOM 0 HA PHE A 747 -1.984 1.792 9.358 1.00 0.00 H new ATOM 0 HB2 PHE A 747 0.104 2.965 9.569 1.00 0.00 H new ATOM 0 HB3 PHE A 747 0.173 2.684 11.297 1.00 0.00 H new ATOM 0 HD1 PHE A 747 -0.608 0.263 8.563 1.00 0.00 H new ATOM 0 HD2 PHE A 747 2.124 1.435 11.614 1.00 0.00 H new ATOM 0 HE1 PHE A 747 0.699 -1.781 8.175 1.00 0.00 H new ATOM 0 HE2 PHE A 747 3.432 -0.608 11.230 1.00 0.00 H new ATOM 0 HZ PHE A 747 2.720 -2.222 9.512 1.00 0.00 H new ATOM 612 N SER A 748 -1.840 0.989 12.565 1.00 0.00 N ATOM 613 CA SER A 748 -2.116 -0.079 13.518 1.00 0.00 C ATOM 614 C SER A 748 -3.453 -0.747 13.213 1.00 0.00 C ATOM 615 O SER A 748 -3.520 -1.957 13.000 1.00 0.00 O ATOM 616 CB SER A 748 -2.121 0.472 14.946 1.00 0.00 C ATOM 617 OG SER A 748 -2.068 -0.577 15.897 1.00 0.00 O ATOM 0 H SER A 748 -1.547 1.869 12.990 1.00 0.00 H new ATOM 0 HA SER A 748 -1.328 -0.826 13.428 1.00 0.00 H new ATOM 0 HB2 SER A 748 -1.269 1.137 15.086 1.00 0.00 H new ATOM 0 HB3 SER A 748 -3.020 1.068 15.106 1.00 0.00 H new ATOM 0 HG SER A 748 -2.071 -0.199 16.801 1.00 0.00 H new ATOM 623 N GLU A 749 -4.516 0.052 13.195 1.00 0.00 N ATOM 624 CA GLU A 749 -5.852 -0.462 12.917 1.00 0.00 C ATOM 625 C GLU A 749 -5.867 -1.265 11.619 1.00 0.00 C ATOM 626 O GLU A 749 -6.266 -2.430 11.601 1.00 0.00 O ATOM 627 CB GLU A 749 -6.857 0.688 12.830 1.00 0.00 C ATOM 628 CG GLU A 749 -7.495 1.041 14.163 1.00 0.00 C ATOM 629 CD GLU A 749 -6.477 1.468 15.202 1.00 0.00 C ATOM 630 OE1 GLU A 749 -5.503 0.719 15.422 1.00 0.00 O ATOM 631 OE2 GLU A 749 -6.655 2.552 15.796 1.00 0.00 O ATOM 0 H GLU A 749 -4.478 1.056 13.369 1.00 0.00 H new ATOM 0 HA GLU A 749 -6.137 -1.123 13.736 1.00 0.00 H new ATOM 0 HB2 GLU A 749 -6.354 1.570 12.433 1.00 0.00 H new ATOM 0 HB3 GLU A 749 -7.641 0.422 12.121 1.00 0.00 H new ATOM 0 HG2 GLU A 749 -8.216 1.845 14.015 1.00 0.00 H new ATOM 0 HG3 GLU A 749 -8.049 0.180 14.536 1.00 0.00 H new ATOM 638 N PHE A 750 -5.431 -0.633 10.534 1.00 0.00 N ATOM 639 CA PHE A 750 -5.395 -1.287 9.231 1.00 0.00 C ATOM 640 C PHE A 750 -4.702 -2.643 9.322 1.00 0.00 C ATOM 641 O PHE A 750 -5.186 -3.637 8.782 1.00 0.00 O ATOM 642 CB PHE A 750 -4.676 -0.401 8.212 1.00 0.00 C ATOM 643 CG PHE A 750 -4.404 -1.090 6.905 1.00 0.00 C ATOM 644 CD1 PHE A 750 -5.413 -1.253 5.970 1.00 0.00 C ATOM 645 CD2 PHE A 750 -3.139 -1.574 6.613 1.00 0.00 C ATOM 646 CE1 PHE A 750 -5.166 -1.886 4.767 1.00 0.00 C ATOM 647 CE2 PHE A 750 -2.886 -2.208 5.411 1.00 0.00 C ATOM 648 CZ PHE A 750 -3.901 -2.365 4.487 1.00 0.00 C ATOM 0 H PHE A 750 -5.098 0.331 10.531 1.00 0.00 H new ATOM 0 HA PHE A 750 -6.422 -1.445 8.903 1.00 0.00 H new ATOM 0 HB2 PHE A 750 -5.279 0.488 8.026 1.00 0.00 H new ATOM 0 HB3 PHE A 750 -3.732 -0.063 8.639 1.00 0.00 H new ATOM 0 HD1 PHE A 750 -6.404 -0.881 6.184 1.00 0.00 H new ATOM 0 HD2 PHE A 750 -2.342 -1.455 7.332 1.00 0.00 H new ATOM 0 HE1 PHE A 750 -5.961 -2.006 4.046 1.00 0.00 H new ATOM 0 HE2 PHE A 750 -1.896 -2.580 5.194 1.00 0.00 H new ATOM 0 HZ PHE A 750 -3.706 -2.861 3.548 1.00 0.00 H new ATOM 658 N ALA A 751 -3.564 -2.675 10.008 1.00 0.00 N ATOM 659 CA ALA A 751 -2.804 -3.908 10.171 1.00 0.00 C ATOM 660 C ALA A 751 -3.665 -5.006 10.786 1.00 0.00 C ATOM 661 O ALA A 751 -3.679 -6.139 10.306 1.00 0.00 O ATOM 662 CB ALA A 751 -1.572 -3.659 11.028 1.00 0.00 C ATOM 0 H ALA A 751 -3.148 -1.861 10.460 1.00 0.00 H new ATOM 0 HA ALA A 751 -2.485 -4.242 9.184 1.00 0.00 H new ATOM 0 HB1 ALA A 751 -1.014 -4.588 11.141 1.00 0.00 H new ATOM 0 HB2 ALA A 751 -0.940 -2.912 10.548 1.00 0.00 H new ATOM 0 HB3 ALA A 751 -1.879 -3.298 12.010 1.00 0.00 H new ATOM 668 N ALA A 752 -4.382 -4.663 11.851 1.00 0.00 N ATOM 669 CA ALA A 752 -5.247 -5.619 12.531 1.00 0.00 C ATOM 670 C ALA A 752 -6.348 -6.121 11.602 1.00 0.00 C ATOM 671 O ALA A 752 -6.716 -7.295 11.635 1.00 0.00 O ATOM 672 CB ALA A 752 -5.851 -4.992 13.778 1.00 0.00 C ATOM 0 H ALA A 752 -4.381 -3.729 12.262 1.00 0.00 H new ATOM 0 HA ALA A 752 -4.639 -6.474 12.827 1.00 0.00 H new ATOM 0 HB1 ALA A 752 -6.495 -5.718 14.275 1.00 0.00 H new ATOM 0 HB2 ALA A 752 -5.053 -4.690 14.456 1.00 0.00 H new ATOM 0 HB3 ALA A 752 -6.439 -4.118 13.498 1.00 0.00 H new ATOM 678 N LYS A 753 -6.871 -5.223 10.774 1.00 0.00 N ATOM 679 CA LYS A 753 -7.930 -5.573 9.834 1.00 0.00 C ATOM 680 C LYS A 753 -7.455 -6.639 8.852 1.00 0.00 C ATOM 681 O LYS A 753 -8.024 -7.729 8.781 1.00 0.00 O ATOM 682 CB LYS A 753 -8.393 -4.331 9.070 1.00 0.00 C ATOM 683 CG LYS A 753 -8.769 -3.167 9.972 1.00 0.00 C ATOM 684 CD LYS A 753 -10.245 -3.197 10.334 1.00 0.00 C ATOM 685 CE LYS A 753 -10.487 -3.970 11.621 1.00 0.00 C ATOM 686 NZ LYS A 753 -9.857 -3.305 12.795 1.00 0.00 N ATOM 0 H LYS A 753 -6.579 -4.247 10.735 1.00 0.00 H new ATOM 0 HA LYS A 753 -8.768 -5.975 10.403 1.00 0.00 H new ATOM 0 HB2 LYS A 753 -7.599 -4.014 8.394 1.00 0.00 H new ATOM 0 HB3 LYS A 753 -9.252 -4.594 8.453 1.00 0.00 H new ATOM 0 HG2 LYS A 753 -8.169 -3.202 10.882 1.00 0.00 H new ATOM 0 HG3 LYS A 753 -8.535 -2.227 9.472 1.00 0.00 H new ATOM 0 HD2 LYS A 753 -10.614 -2.178 10.446 1.00 0.00 H new ATOM 0 HD3 LYS A 753 -10.811 -3.654 9.522 1.00 0.00 H new ATOM 0 HE2 LYS A 753 -11.559 -4.066 11.791 1.00 0.00 H new ATOM 0 HE3 LYS A 753 -10.089 -4.979 11.519 1.00 0.00 H new ATOM 0 HZ1 LYS A 753 -10.372 -3.567 13.660 1.00 0.00 H new ATOM 0 HZ2 LYS A 753 -8.866 -3.610 12.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 753 -9.893 -2.273 12.670 1.00 0.00 H new ATOM 700 N HIS A 754 -6.409 -6.318 8.097 1.00 0.00 N ATOM 701 CA HIS A 754 -5.857 -7.250 7.120 1.00 0.00 C ATOM 702 C HIS A 754 -4.699 -8.042 7.719 1.00 0.00 C ATOM 703 O HIS A 754 -3.913 -8.654 6.996 1.00 0.00 O ATOM 704 CB HIS A 754 -5.385 -6.497 5.876 1.00 0.00 C ATOM 705 CG HIS A 754 -6.506 -5.971 5.033 1.00 0.00 C ATOM 706 ND1 HIS A 754 -6.777 -6.438 3.764 1.00 0.00 N ATOM 707 CD2 HIS A 754 -7.430 -5.014 5.285 1.00 0.00 C ATOM 708 CE1 HIS A 754 -7.817 -5.789 3.271 1.00 0.00 C ATOM 709 NE2 HIS A 754 -8.232 -4.920 4.175 1.00 0.00 N ATOM 0 H HIS A 754 -5.927 -5.420 8.143 1.00 0.00 H new ATOM 0 HA HIS A 754 -6.644 -7.949 6.836 1.00 0.00 H new ATOM 0 HB2 HIS A 754 -4.751 -5.665 6.184 1.00 0.00 H new ATOM 0 HB3 HIS A 754 -4.768 -7.162 5.272 1.00 0.00 H new ATOM 0 HD2 HIS A 754 -7.519 -4.433 6.191 1.00 0.00 H new ATOM 0 HE1 HIS A 754 -8.253 -5.943 2.295 1.00 0.00 H new ATOM 0 HE2 HIS A 754 -9.021 -4.282 4.066 1.00 0.00 H new ATOM 717 N ALA A 755 -4.600 -8.026 9.045 1.00 0.00 N ATOM 718 CA ALA A 755 -3.539 -8.743 9.740 1.00 0.00 C ATOM 719 C ALA A 755 -3.504 -10.210 9.325 1.00 0.00 C ATOM 720 O ALA A 755 -2.434 -10.808 9.208 1.00 0.00 O ATOM 721 CB ALA A 755 -3.721 -8.624 11.246 1.00 0.00 C ATOM 0 H ALA A 755 -5.242 -7.524 9.658 1.00 0.00 H new ATOM 0 HA ALA A 755 -2.587 -8.291 9.462 1.00 0.00 H new ATOM 0 HB1 ALA A 755 -2.921 -9.164 11.753 1.00 0.00 H new ATOM 0 HB2 ALA A 755 -3.689 -7.573 11.535 1.00 0.00 H new ATOM 0 HB3 ALA A 755 -4.683 -9.049 11.531 1.00 0.00 H new ATOM 727 N LYS A 756 -4.681 -10.785 9.102 1.00 0.00 N ATOM 728 CA LYS A 756 -4.786 -12.182 8.698 1.00 0.00 C ATOM 729 C LYS A 756 -5.019 -12.299 7.196 1.00 0.00 C ATOM 730 O LYS A 756 -5.290 -13.384 6.682 1.00 0.00 O ATOM 731 CB LYS A 756 -5.924 -12.869 9.457 1.00 0.00 C ATOM 732 CG LYS A 756 -7.288 -12.258 9.190 1.00 0.00 C ATOM 733 CD LYS A 756 -8.236 -12.480 10.356 1.00 0.00 C ATOM 734 CE LYS A 756 -9.640 -11.988 10.036 1.00 0.00 C ATOM 735 NZ LYS A 756 -10.348 -12.904 9.099 1.00 0.00 N ATOM 0 H LYS A 756 -5.576 -10.305 9.194 1.00 0.00 H new ATOM 0 HA LYS A 756 -3.845 -12.676 8.940 1.00 0.00 H new ATOM 0 HB2 LYS A 756 -5.948 -13.924 9.183 1.00 0.00 H new ATOM 0 HB3 LYS A 756 -5.717 -12.822 10.526 1.00 0.00 H new ATOM 0 HG2 LYS A 756 -7.179 -11.189 9.007 1.00 0.00 H new ATOM 0 HG3 LYS A 756 -7.713 -12.695 8.286 1.00 0.00 H new ATOM 0 HD2 LYS A 756 -8.269 -13.541 10.602 1.00 0.00 H new ATOM 0 HD3 LYS A 756 -7.859 -11.960 11.237 1.00 0.00 H new ATOM 0 HE2 LYS A 756 -10.213 -11.899 10.959 1.00 0.00 H new ATOM 0 HE3 LYS A 756 -9.585 -10.992 9.598 1.00 0.00 H new ATOM 0 HZ1 LYS A 756 -11.328 -12.581 8.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 756 -9.862 -12.904 8.180 1.00 0.00 H new ATOM 0 HZ3 LYS A 756 -10.349 -13.868 9.490 1.00 0.00 H new ATOM 749 N ASP A 757 -4.911 -11.174 6.496 1.00 0.00 N ATOM 750 CA ASP A 757 -5.108 -11.151 5.051 1.00 0.00 C ATOM 751 C ASP A 757 -3.847 -11.608 4.324 1.00 0.00 C ATOM 752 O ASP A 757 -2.820 -10.931 4.355 1.00 0.00 O ATOM 753 CB ASP A 757 -5.496 -9.745 4.591 1.00 0.00 C ATOM 754 CG ASP A 757 -6.151 -9.743 3.224 1.00 0.00 C ATOM 755 OD1 ASP A 757 -5.423 -9.858 2.216 1.00 0.00 O ATOM 756 OD2 ASP A 757 -7.393 -9.629 3.162 1.00 0.00 O ATOM 0 H ASP A 757 -4.688 -10.267 6.906 1.00 0.00 H new ATOM 0 HA ASP A 757 -5.916 -11.841 4.807 1.00 0.00 H new ATOM 0 HB2 ASP A 757 -6.178 -9.303 5.318 1.00 0.00 H new ATOM 0 HB3 ASP A 757 -4.606 -9.116 4.565 1.00 0.00 H new ATOM 761 N SER A 758 -3.933 -12.762 3.670 1.00 0.00 N ATOM 762 CA SER A 758 -2.799 -13.313 2.938 1.00 0.00 C ATOM 763 C SER A 758 -1.959 -12.199 2.319 1.00 0.00 C ATOM 764 O SER A 758 -0.796 -12.012 2.675 1.00 0.00 O ATOM 765 CB SER A 758 -3.283 -14.268 1.847 1.00 0.00 C ATOM 766 OG SER A 758 -3.840 -15.444 2.408 1.00 0.00 O ATOM 0 H SER A 758 -4.777 -13.334 3.632 1.00 0.00 H new ATOM 0 HA SER A 758 -2.177 -13.865 3.643 1.00 0.00 H new ATOM 0 HB2 SER A 758 -4.028 -13.769 1.227 1.00 0.00 H new ATOM 0 HB3 SER A 758 -2.450 -14.532 1.195 1.00 0.00 H new ATOM 0 HG SER A 758 -4.143 -16.037 1.689 1.00 0.00 H new ATOM 772 N ARG A 759 -2.559 -11.462 1.390 1.00 0.00 N ATOM 773 CA ARG A 759 -1.868 -10.367 0.719 1.00 0.00 C ATOM 774 C ARG A 759 -1.108 -9.507 1.725 1.00 0.00 C ATOM 775 O ARG A 759 0.082 -9.239 1.555 1.00 0.00 O ATOM 776 CB ARG A 759 -2.865 -9.504 -0.055 1.00 0.00 C ATOM 777 CG ARG A 759 -3.354 -10.146 -1.344 1.00 0.00 C ATOM 778 CD ARG A 759 -3.881 -9.105 -2.319 1.00 0.00 C ATOM 779 NE ARG A 759 -4.324 -9.707 -3.574 1.00 0.00 N ATOM 780 CZ ARG A 759 -5.483 -10.341 -3.717 1.00 0.00 C ATOM 781 NH1 ARG A 759 -6.310 -10.456 -2.688 1.00 0.00 N ATOM 782 NH2 ARG A 759 -5.815 -10.862 -4.891 1.00 0.00 N ATOM 0 H ARG A 759 -3.522 -11.603 1.085 1.00 0.00 H new ATOM 0 HA ARG A 759 -1.151 -10.797 0.019 1.00 0.00 H new ATOM 0 HB2 ARG A 759 -3.723 -9.293 0.584 1.00 0.00 H new ATOM 0 HB3 ARG A 759 -2.399 -8.547 -0.290 1.00 0.00 H new ATOM 0 HG2 ARG A 759 -2.538 -10.701 -1.808 1.00 0.00 H new ATOM 0 HG3 ARG A 759 -4.141 -10.866 -1.118 1.00 0.00 H new ATOM 0 HD2 ARG A 759 -4.711 -8.567 -1.862 1.00 0.00 H new ATOM 0 HD3 ARG A 759 -3.101 -8.372 -2.524 1.00 0.00 H new ATOM 0 HE ARG A 759 -3.710 -9.637 -4.385 1.00 0.00 H new ATOM 0 HH11 ARG A 759 -6.057 -10.057 -1.784 1.00 0.00 H new ATOM 0 HH12 ARG A 759 -7.199 -10.943 -2.800 1.00 0.00 H new ATOM 0 HH21 ARG A 759 -5.180 -10.776 -5.685 1.00 0.00 H new ATOM 0 HH22 ARG A 759 -6.705 -11.348 -5.000 1.00 0.00 H new ATOM 796 N PHE A 760 -1.803 -9.076 2.772 1.00 0.00 N ATOM 797 CA PHE A 760 -1.195 -8.245 3.804 1.00 0.00 C ATOM 798 C PHE A 760 0.054 -8.912 4.374 1.00 0.00 C ATOM 799 O PHE A 760 1.077 -8.261 4.587 1.00 0.00 O ATOM 800 CB PHE A 760 -2.199 -7.973 4.927 1.00 0.00 C ATOM 801 CG PHE A 760 -1.563 -7.466 6.189 1.00 0.00 C ATOM 802 CD1 PHE A 760 -1.389 -6.107 6.395 1.00 0.00 C ATOM 803 CD2 PHE A 760 -1.140 -8.348 7.171 1.00 0.00 C ATOM 804 CE1 PHE A 760 -0.803 -5.637 7.556 1.00 0.00 C ATOM 805 CE2 PHE A 760 -0.554 -7.884 8.333 1.00 0.00 C ATOM 806 CZ PHE A 760 -0.386 -6.527 8.527 1.00 0.00 C ATOM 0 H PHE A 760 -2.788 -9.289 2.928 1.00 0.00 H new ATOM 0 HA PHE A 760 -0.904 -7.298 3.348 1.00 0.00 H new ATOM 0 HB2 PHE A 760 -2.931 -7.244 4.580 1.00 0.00 H new ATOM 0 HB3 PHE A 760 -2.743 -8.891 5.147 1.00 0.00 H new ATOM 0 HD1 PHE A 760 -1.715 -5.407 5.640 1.00 0.00 H new ATOM 0 HD2 PHE A 760 -1.270 -9.410 7.026 1.00 0.00 H new ATOM 0 HE1 PHE A 760 -0.671 -4.575 7.704 1.00 0.00 H new ATOM 0 HE2 PHE A 760 -0.227 -8.582 9.089 1.00 0.00 H new ATOM 0 HZ PHE A 760 0.070 -6.162 9.435 1.00 0.00 H new ATOM 816 N LYS A 761 -0.038 -10.215 4.618 1.00 0.00 N ATOM 817 CA LYS A 761 1.083 -10.972 5.162 1.00 0.00 C ATOM 818 C LYS A 761 2.315 -10.835 4.273 1.00 0.00 C ATOM 819 O LYS A 761 3.446 -10.849 4.757 1.00 0.00 O ATOM 820 CB LYS A 761 0.706 -12.449 5.305 1.00 0.00 C ATOM 821 CG LYS A 761 -0.631 -12.671 5.990 1.00 0.00 C ATOM 822 CD LYS A 761 -0.682 -14.019 6.689 1.00 0.00 C ATOM 823 CE LYS A 761 -2.115 -14.477 6.914 1.00 0.00 C ATOM 824 NZ LYS A 761 -2.640 -15.246 5.752 1.00 0.00 N ATOM 0 H LYS A 761 -0.878 -10.769 4.448 1.00 0.00 H new ATOM 0 HA LYS A 761 1.320 -10.566 6.146 1.00 0.00 H new ATOM 0 HB2 LYS A 761 0.678 -12.906 4.316 1.00 0.00 H new ATOM 0 HB3 LYS A 761 1.484 -12.961 5.871 1.00 0.00 H new ATOM 0 HG2 LYS A 761 -0.805 -11.877 6.716 1.00 0.00 H new ATOM 0 HG3 LYS A 761 -1.433 -12.611 5.254 1.00 0.00 H new ATOM 0 HD2 LYS A 761 -0.152 -14.760 6.091 1.00 0.00 H new ATOM 0 HD3 LYS A 761 -0.165 -13.953 7.647 1.00 0.00 H new ATOM 0 HE2 LYS A 761 -2.162 -15.096 7.810 1.00 0.00 H new ATOM 0 HE3 LYS A 761 -2.750 -13.609 7.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 761 -3.364 -14.683 5.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 761 -1.862 -15.457 5.095 1.00 0.00 H new ATOM 0 HZ3 LYS A 761 -3.061 -16.136 6.086 1.00 0.00 H new ATOM 838 N ALA A 762 2.087 -10.701 2.970 1.00 0.00 N ATOM 839 CA ALA A 762 3.179 -10.558 2.015 1.00 0.00 C ATOM 840 C ALA A 762 4.190 -9.519 2.489 1.00 0.00 C ATOM 841 O ALA A 762 5.390 -9.653 2.247 1.00 0.00 O ATOM 842 CB ALA A 762 2.635 -10.180 0.645 1.00 0.00 C ATOM 0 H ALA A 762 1.157 -10.689 2.552 1.00 0.00 H new ATOM 0 HA ALA A 762 3.691 -11.517 1.939 1.00 0.00 H new ATOM 0 HB1 ALA A 762 3.461 -10.076 -0.059 1.00 0.00 H new ATOM 0 HB2 ALA A 762 1.956 -10.958 0.296 1.00 0.00 H new ATOM 0 HB3 ALA A 762 2.097 -9.234 0.715 1.00 0.00 H new ATOM 848 N ILE A 763 3.698 -8.486 3.164 1.00 0.00 N ATOM 849 CA ILE A 763 4.560 -7.426 3.671 1.00 0.00 C ATOM 850 C ILE A 763 4.602 -7.434 5.196 1.00 0.00 C ATOM 851 O ILE A 763 3.709 -6.900 5.853 1.00 0.00 O ATOM 852 CB ILE A 763 4.092 -6.040 3.189 1.00 0.00 C ATOM 853 CG1 ILE A 763 3.858 -6.055 1.677 1.00 0.00 C ATOM 854 CG2 ILE A 763 5.113 -4.976 3.563 1.00 0.00 C ATOM 855 CD1 ILE A 763 5.122 -6.259 0.872 1.00 0.00 C ATOM 0 H ILE A 763 2.707 -8.361 3.372 1.00 0.00 H new ATOM 0 HA ILE A 763 5.559 -7.619 3.281 1.00 0.00 H new ATOM 0 HB ILE A 763 3.150 -5.799 3.681 1.00 0.00 H new ATOM 0 HG12 ILE A 763 3.151 -6.848 1.435 1.00 0.00 H new ATOM 0 HG13 ILE A 763 3.395 -5.114 1.380 1.00 0.00 H new ATOM 0 HG21 ILE A 763 4.768 -4.002 3.215 1.00 0.00 H new ATOM 0 HG22 ILE A 763 5.234 -4.953 4.646 1.00 0.00 H new ATOM 0 HG23 ILE A 763 6.070 -5.210 3.096 1.00 0.00 H new ATOM 0 HD11 ILE A 763 4.880 -6.259 -0.191 1.00 0.00 H new ATOM 0 HD12 ILE A 763 5.823 -5.452 1.085 1.00 0.00 H new ATOM 0 HD13 ILE A 763 5.575 -7.213 1.141 1.00 0.00 H new ATOM 867 N GLU A 764 5.646 -8.042 5.751 1.00 0.00 N ATOM 868 CA GLU A 764 5.804 -8.118 7.198 1.00 0.00 C ATOM 869 C GLU A 764 6.644 -6.953 7.716 1.00 0.00 C ATOM 870 O GLU A 764 6.384 -6.416 8.793 1.00 0.00 O ATOM 871 CB GLU A 764 6.455 -9.445 7.593 1.00 0.00 C ATOM 872 CG GLU A 764 7.293 -9.359 8.857 1.00 0.00 C ATOM 873 CD GLU A 764 7.354 -10.675 9.608 1.00 0.00 C ATOM 874 OE1 GLU A 764 6.340 -11.405 9.608 1.00 0.00 O ATOM 875 OE2 GLU A 764 8.414 -10.976 10.196 1.00 0.00 O ATOM 0 H GLU A 764 6.394 -8.489 5.221 1.00 0.00 H new ATOM 0 HA GLU A 764 4.814 -8.058 7.649 1.00 0.00 H new ATOM 0 HB2 GLU A 764 5.676 -10.194 7.734 1.00 0.00 H new ATOM 0 HB3 GLU A 764 7.084 -9.790 6.773 1.00 0.00 H new ATOM 0 HG2 GLU A 764 8.304 -9.046 8.597 1.00 0.00 H new ATOM 0 HG3 GLU A 764 6.880 -8.591 9.511 1.00 0.00 H new ATOM 882 N LYS A 765 7.652 -6.568 6.941 1.00 0.00 N ATOM 883 CA LYS A 765 8.531 -5.468 7.318 1.00 0.00 C ATOM 884 C LYS A 765 7.722 -4.242 7.731 1.00 0.00 C ATOM 885 O LYS A 765 7.431 -3.373 6.910 1.00 0.00 O ATOM 886 CB LYS A 765 9.461 -5.110 6.157 1.00 0.00 C ATOM 887 CG LYS A 765 10.716 -5.963 6.098 1.00 0.00 C ATOM 888 CD LYS A 765 11.370 -5.900 4.727 1.00 0.00 C ATOM 889 CE LYS A 765 12.802 -6.409 4.769 1.00 0.00 C ATOM 890 NZ LYS A 765 13.411 -6.464 3.411 1.00 0.00 N ATOM 0 H LYS A 765 7.881 -7.002 6.047 1.00 0.00 H new ATOM 0 HA LYS A 765 9.130 -5.791 8.170 1.00 0.00 H new ATOM 0 HB2 LYS A 765 8.915 -5.216 5.219 1.00 0.00 H new ATOM 0 HB3 LYS A 765 9.748 -4.062 6.242 1.00 0.00 H new ATOM 0 HG2 LYS A 765 11.423 -5.624 6.855 1.00 0.00 H new ATOM 0 HG3 LYS A 765 10.466 -6.997 6.335 1.00 0.00 H new ATOM 0 HD2 LYS A 765 10.792 -6.494 4.019 1.00 0.00 H new ATOM 0 HD3 LYS A 765 11.359 -4.872 4.364 1.00 0.00 H new ATOM 0 HE2 LYS A 765 13.400 -5.760 5.409 1.00 0.00 H new ATOM 0 HE3 LYS A 765 12.821 -7.403 5.216 1.00 0.00 H new ATOM 0 HZ1 LYS A 765 14.387 -6.816 3.482 1.00 0.00 H new ATOM 0 HZ2 LYS A 765 12.856 -7.103 2.807 1.00 0.00 H new ATOM 0 HZ3 LYS A 765 13.416 -5.511 2.994 1.00 0.00 H new ATOM 904 N MET A 766 7.363 -4.179 9.009 1.00 0.00 N ATOM 905 CA MET A 766 6.589 -3.058 9.531 1.00 0.00 C ATOM 906 C MET A 766 7.006 -1.752 8.862 1.00 0.00 C ATOM 907 O MET A 766 6.163 -0.982 8.401 1.00 0.00 O ATOM 908 CB MET A 766 6.769 -2.949 11.046 1.00 0.00 C ATOM 909 CG MET A 766 5.983 -1.807 11.670 1.00 0.00 C ATOM 910 SD MET A 766 6.090 -1.792 13.470 1.00 0.00 S ATOM 911 CE MET A 766 5.770 -0.064 13.814 1.00 0.00 C ATOM 0 H MET A 766 7.595 -4.890 9.702 1.00 0.00 H new ATOM 0 HA MET A 766 5.537 -3.239 9.309 1.00 0.00 H new ATOM 0 HB2 MET A 766 6.461 -3.887 11.509 1.00 0.00 H new ATOM 0 HB3 MET A 766 7.827 -2.816 11.269 1.00 0.00 H new ATOM 0 HG2 MET A 766 6.355 -0.860 11.280 1.00 0.00 H new ATOM 0 HG3 MET A 766 4.937 -1.886 11.373 1.00 0.00 H new ATOM 0 HE1 MET A 766 5.802 0.105 14.890 1.00 0.00 H new ATOM 0 HE2 MET A 766 6.528 0.550 13.327 1.00 0.00 H new ATOM 0 HE3 MET A 766 4.785 0.206 13.434 1.00 0.00 H new ATOM 921 N LYS A 767 8.311 -1.508 8.813 1.00 0.00 N ATOM 922 CA LYS A 767 8.841 -0.296 8.200 1.00 0.00 C ATOM 923 C LYS A 767 8.238 -0.078 6.815 1.00 0.00 C ATOM 924 O LYS A 767 7.760 1.012 6.501 1.00 0.00 O ATOM 925 CB LYS A 767 10.366 -0.376 8.097 1.00 0.00 C ATOM 926 CG LYS A 767 11.033 0.973 7.890 1.00 0.00 C ATOM 927 CD LYS A 767 11.217 1.711 9.205 1.00 0.00 C ATOM 928 CE LYS A 767 12.029 2.984 9.020 1.00 0.00 C ATOM 929 NZ LYS A 767 13.493 2.717 9.050 1.00 0.00 N ATOM 0 H LYS A 767 9.022 -2.134 9.191 1.00 0.00 H new ATOM 0 HA LYS A 767 8.570 0.549 8.833 1.00 0.00 H new ATOM 0 HB2 LYS A 767 10.760 -0.831 9.006 1.00 0.00 H new ATOM 0 HB3 LYS A 767 10.632 -1.034 7.270 1.00 0.00 H new ATOM 0 HG2 LYS A 767 12.003 0.831 7.412 1.00 0.00 H new ATOM 0 HG3 LYS A 767 10.430 1.578 7.213 1.00 0.00 H new ATOM 0 HD2 LYS A 767 10.242 1.958 9.625 1.00 0.00 H new ATOM 0 HD3 LYS A 767 11.717 1.060 9.922 1.00 0.00 H new ATOM 0 HE2 LYS A 767 11.764 3.449 8.070 1.00 0.00 H new ATOM 0 HE3 LYS A 767 11.773 3.695 9.805 1.00 0.00 H new ATOM 0 HZ1 LYS A 767 14.011 3.609 8.921 1.00 0.00 H new ATOM 0 HZ2 LYS A 767 13.751 2.297 9.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 767 13.741 2.058 8.285 1.00 0.00 H new ATOM 943 N ASP A 768 8.263 -1.122 5.993 1.00 0.00 N ATOM 944 CA ASP A 768 7.716 -1.045 4.644 1.00 0.00 C ATOM 945 C ASP A 768 6.224 -0.729 4.679 1.00 0.00 C ATOM 946 O ASP A 768 5.729 0.066 3.879 1.00 0.00 O ATOM 947 CB ASP A 768 7.955 -2.359 3.899 1.00 0.00 C ATOM 948 CG ASP A 768 9.381 -2.494 3.404 1.00 0.00 C ATOM 949 OD1 ASP A 768 10.284 -2.693 4.243 1.00 0.00 O ATOM 950 OD2 ASP A 768 9.595 -2.400 2.177 1.00 0.00 O ATOM 0 H ASP A 768 8.656 -2.031 6.238 1.00 0.00 H new ATOM 0 HA ASP A 768 8.226 -0.239 4.117 1.00 0.00 H new ATOM 0 HB2 ASP A 768 7.722 -3.195 4.559 1.00 0.00 H new ATOM 0 HB3 ASP A 768 7.272 -2.422 3.052 1.00 0.00 H new ATOM 955 N ARG A 769 5.513 -1.357 5.609 1.00 0.00 N ATOM 956 CA ARG A 769 4.078 -1.144 5.747 1.00 0.00 C ATOM 957 C ARG A 769 3.767 0.331 5.983 1.00 0.00 C ATOM 958 O ARG A 769 2.987 0.936 5.247 1.00 0.00 O ATOM 959 CB ARG A 769 3.524 -1.983 6.900 1.00 0.00 C ATOM 960 CG ARG A 769 3.137 -3.396 6.494 1.00 0.00 C ATOM 961 CD ARG A 769 2.529 -4.163 7.658 1.00 0.00 C ATOM 962 NE ARG A 769 3.550 -4.695 8.557 1.00 0.00 N ATOM 963 CZ ARG A 769 3.304 -5.072 9.806 1.00 0.00 C ATOM 964 NH1 ARG A 769 2.079 -4.976 10.303 1.00 0.00 N ATOM 965 NH2 ARG A 769 4.286 -5.546 10.563 1.00 0.00 N ATOM 0 H ARG A 769 5.908 -2.018 6.278 1.00 0.00 H new ATOM 0 HA ARG A 769 3.600 -1.455 4.818 1.00 0.00 H new ATOM 0 HB2 ARG A 769 4.270 -2.033 7.693 1.00 0.00 H new ATOM 0 HB3 ARG A 769 2.650 -1.481 7.316 1.00 0.00 H new ATOM 0 HG2 ARG A 769 2.424 -3.357 5.671 1.00 0.00 H new ATOM 0 HG3 ARG A 769 4.017 -3.925 6.128 1.00 0.00 H new ATOM 0 HD2 ARG A 769 1.862 -3.506 8.216 1.00 0.00 H new ATOM 0 HD3 ARG A 769 1.922 -4.983 7.274 1.00 0.00 H new ATOM 0 HE ARG A 769 4.504 -4.782 8.206 1.00 0.00 H new ATOM 0 HH11 ARG A 769 1.321 -4.611 9.725 1.00 0.00 H new ATOM 0 HH12 ARG A 769 1.894 -5.267 11.263 1.00 0.00 H new ATOM 0 HH21 ARG A 769 5.231 -5.621 10.185 1.00 0.00 H new ATOM 0 HH22 ARG A 769 4.096 -5.835 11.522 1.00 0.00 H new ATOM 979 N GLU A 770 4.381 0.903 7.013 1.00 0.00 N ATOM 980 CA GLU A 770 4.168 2.307 7.346 1.00 0.00 C ATOM 981 C GLU A 770 4.423 3.198 6.133 1.00 0.00 C ATOM 982 O GLU A 770 3.658 4.122 5.857 1.00 0.00 O ATOM 983 CB GLU A 770 5.082 2.725 8.500 1.00 0.00 C ATOM 984 CG GLU A 770 4.651 4.013 9.182 1.00 0.00 C ATOM 985 CD GLU A 770 5.581 4.416 10.309 1.00 0.00 C ATOM 986 OE1 GLU A 770 6.805 4.213 10.170 1.00 0.00 O ATOM 987 OE2 GLU A 770 5.084 4.934 11.331 1.00 0.00 O ATOM 0 H GLU A 770 5.030 0.416 7.632 1.00 0.00 H new ATOM 0 HA GLU A 770 3.129 2.428 7.653 1.00 0.00 H new ATOM 0 HB2 GLU A 770 5.110 1.924 9.239 1.00 0.00 H new ATOM 0 HB3 GLU A 770 6.097 2.846 8.123 1.00 0.00 H new ATOM 0 HG2 GLU A 770 4.612 4.815 8.444 1.00 0.00 H new ATOM 0 HG3 GLU A 770 3.642 3.891 9.575 1.00 0.00 H new ATOM 994 N ALA A 771 5.503 2.913 5.413 1.00 0.00 N ATOM 995 CA ALA A 771 5.858 3.686 4.230 1.00 0.00 C ATOM 996 C ALA A 771 4.789 3.560 3.150 1.00 0.00 C ATOM 997 O ALA A 771 4.212 4.557 2.713 1.00 0.00 O ATOM 998 CB ALA A 771 7.209 3.238 3.692 1.00 0.00 C ATOM 0 H ALA A 771 6.147 2.152 5.629 1.00 0.00 H new ATOM 0 HA ALA A 771 5.924 4.735 4.519 1.00 0.00 H new ATOM 0 HB1 ALA A 771 7.461 3.824 2.808 1.00 0.00 H new ATOM 0 HB2 ALA A 771 7.972 3.386 4.456 1.00 0.00 H new ATOM 0 HB3 ALA A 771 7.163 2.182 3.426 1.00 0.00 H new ATOM 1004 N LEU A 772 4.528 2.329 2.723 1.00 0.00 N ATOM 1005 CA LEU A 772 3.528 2.072 1.693 1.00 0.00 C ATOM 1006 C LEU A 772 2.189 2.699 2.066 1.00 0.00 C ATOM 1007 O LEU A 772 1.576 3.404 1.264 1.00 0.00 O ATOM 1008 CB LEU A 772 3.358 0.567 1.483 1.00 0.00 C ATOM 1009 CG LEU A 772 4.584 -0.180 0.957 1.00 0.00 C ATOM 1010 CD1 LEU A 772 4.441 -1.676 1.195 1.00 0.00 C ATOM 1011 CD2 LEU A 772 4.792 0.109 -0.522 1.00 0.00 C ATOM 0 H LEU A 772 4.995 1.493 3.074 1.00 0.00 H new ATOM 0 HA LEU A 772 3.875 2.525 0.764 1.00 0.00 H new ATOM 0 HB2 LEU A 772 3.064 0.119 2.432 1.00 0.00 H new ATOM 0 HB3 LEU A 772 2.534 0.408 0.787 1.00 0.00 H new ATOM 0 HG LEU A 772 5.460 0.172 1.502 1.00 0.00 H new ATOM 0 HD11 LEU A 772 5.323 -2.191 0.814 1.00 0.00 H new ATOM 0 HD12 LEU A 772 4.343 -1.867 2.264 1.00 0.00 H new ATOM 0 HD13 LEU A 772 3.555 -2.044 0.678 1.00 0.00 H new ATOM 0 HD21 LEU A 772 5.669 -0.431 -0.878 1.00 0.00 H new ATOM 0 HD22 LEU A 772 3.915 -0.213 -1.083 1.00 0.00 H new ATOM 0 HD23 LEU A 772 4.942 1.179 -0.666 1.00 0.00 H new ATOM 1023 N PHE A 773 1.740 2.440 3.290 1.00 0.00 N ATOM 1024 CA PHE A 773 0.474 2.980 3.771 1.00 0.00 C ATOM 1025 C PHE A 773 0.486 4.506 3.738 1.00 0.00 C ATOM 1026 O PHE A 773 -0.418 5.133 3.188 1.00 0.00 O ATOM 1027 CB PHE A 773 0.194 2.491 5.193 1.00 0.00 C ATOM 1028 CG PHE A 773 -0.998 3.148 5.829 1.00 0.00 C ATOM 1029 CD1 PHE A 773 -2.272 2.639 5.637 1.00 0.00 C ATOM 1030 CD2 PHE A 773 -0.843 4.276 6.620 1.00 0.00 C ATOM 1031 CE1 PHE A 773 -3.370 3.242 6.220 1.00 0.00 C ATOM 1032 CE2 PHE A 773 -1.938 4.883 7.206 1.00 0.00 C ATOM 1033 CZ PHE A 773 -3.202 4.365 7.007 1.00 0.00 C ATOM 0 H PHE A 773 2.235 1.859 3.967 1.00 0.00 H new ATOM 0 HA PHE A 773 -0.318 2.626 3.111 1.00 0.00 H new ATOM 0 HB2 PHE A 773 0.037 1.413 5.174 1.00 0.00 H new ATOM 0 HB3 PHE A 773 1.073 2.674 5.811 1.00 0.00 H new ATOM 0 HD1 PHE A 773 -2.409 1.760 5.024 1.00 0.00 H new ATOM 0 HD2 PHE A 773 0.144 4.685 6.780 1.00 0.00 H new ATOM 0 HE1 PHE A 773 -4.358 2.836 6.061 1.00 0.00 H new ATOM 0 HE2 PHE A 773 -1.805 5.762 7.819 1.00 0.00 H new ATOM 0 HZ PHE A 773 -4.058 4.837 7.466 1.00 0.00 H new ATOM 1043 N ASN A 774 1.517 5.096 4.334 1.00 0.00 N ATOM 1044 CA ASN A 774 1.648 6.548 4.375 1.00 0.00 C ATOM 1045 C ASN A 774 1.398 7.156 2.998 1.00 0.00 C ATOM 1046 O ASN A 774 0.542 8.025 2.839 1.00 0.00 O ATOM 1047 CB ASN A 774 3.039 6.942 4.874 1.00 0.00 C ATOM 1048 CG ASN A 774 3.096 7.075 6.384 1.00 0.00 C ATOM 1049 OD1 ASN A 774 2.105 7.425 7.025 1.00 0.00 O ATOM 1050 ND2 ASN A 774 4.260 6.795 6.959 1.00 0.00 N ATOM 0 H ASN A 774 2.274 4.591 4.795 1.00 0.00 H new ATOM 0 HA ASN A 774 0.899 6.936 5.065 1.00 0.00 H new ATOM 0 HB2 ASN A 774 3.763 6.194 4.550 1.00 0.00 H new ATOM 0 HB3 ASN A 774 3.331 7.888 4.417 1.00 0.00 H new ATOM 0 HD21 ASN A 774 4.359 6.866 7.972 1.00 0.00 H new ATOM 0 HD22 ASN A 774 5.055 6.509 6.388 1.00 0.00 H new ATOM 1057 N GLU A 775 2.151 6.691 2.006 1.00 0.00 N ATOM 1058 CA GLU A 775 2.011 7.189 0.643 1.00 0.00 C ATOM 1059 C GLU A 775 0.571 7.047 0.157 1.00 0.00 C ATOM 1060 O GLU A 775 0.019 7.960 -0.458 1.00 0.00 O ATOM 1061 CB GLU A 775 2.955 6.437 -0.298 1.00 0.00 C ATOM 1062 CG GLU A 775 2.965 6.986 -1.715 1.00 0.00 C ATOM 1063 CD GLU A 775 3.727 6.097 -2.679 1.00 0.00 C ATOM 1064 OE1 GLU A 775 3.580 4.860 -2.586 1.00 0.00 O ATOM 1065 OE2 GLU A 775 4.470 6.637 -3.525 1.00 0.00 O ATOM 0 H GLU A 775 2.864 5.971 2.121 1.00 0.00 H new ATOM 0 HA GLU A 775 2.274 8.247 0.641 1.00 0.00 H new ATOM 0 HB2 GLU A 775 3.966 6.478 0.106 1.00 0.00 H new ATOM 0 HB3 GLU A 775 2.666 5.386 -0.326 1.00 0.00 H new ATOM 0 HG2 GLU A 775 1.939 7.099 -2.064 1.00 0.00 H new ATOM 0 HG3 GLU A 775 3.412 7.980 -1.712 1.00 0.00 H new ATOM 1072 N PHE A 776 -0.031 5.896 0.438 1.00 0.00 N ATOM 1073 CA PHE A 776 -1.405 5.633 0.029 1.00 0.00 C ATOM 1074 C PHE A 776 -2.344 6.720 0.545 1.00 0.00 C ATOM 1075 O PHE A 776 -3.057 7.359 -0.229 1.00 0.00 O ATOM 1076 CB PHE A 776 -1.860 4.265 0.542 1.00 0.00 C ATOM 1077 CG PHE A 776 -3.241 3.884 0.091 1.00 0.00 C ATOM 1078 CD1 PHE A 776 -4.357 4.493 0.644 1.00 0.00 C ATOM 1079 CD2 PHE A 776 -3.424 2.919 -0.885 1.00 0.00 C ATOM 1080 CE1 PHE A 776 -5.629 4.143 0.232 1.00 0.00 C ATOM 1081 CE2 PHE A 776 -4.694 2.566 -1.302 1.00 0.00 C ATOM 1082 CZ PHE A 776 -5.797 3.180 -0.744 1.00 0.00 C ATOM 0 H PHE A 776 0.411 5.131 0.947 1.00 0.00 H new ATOM 0 HA PHE A 776 -1.439 5.635 -1.060 1.00 0.00 H new ATOM 0 HB2 PHE A 776 -1.154 3.506 0.204 1.00 0.00 H new ATOM 0 HB3 PHE A 776 -1.830 4.266 1.632 1.00 0.00 H new ATOM 0 HD1 PHE A 776 -4.231 5.249 1.405 1.00 0.00 H new ATOM 0 HD2 PHE A 776 -2.564 2.436 -1.326 1.00 0.00 H new ATOM 0 HE1 PHE A 776 -6.491 4.622 0.673 1.00 0.00 H new ATOM 0 HE2 PHE A 776 -4.823 1.811 -2.063 1.00 0.00 H new ATOM 0 HZ PHE A 776 -6.790 2.908 -1.070 1.00 0.00 H new ATOM 1092 N VAL A 777 -2.339 6.923 1.858 1.00 0.00 N ATOM 1093 CA VAL A 777 -3.189 7.932 2.479 1.00 0.00 C ATOM 1094 C VAL A 777 -2.779 9.336 2.049 1.00 0.00 C ATOM 1095 O VAL A 777 -3.620 10.223 1.907 1.00 0.00 O ATOM 1096 CB VAL A 777 -3.136 7.842 4.016 1.00 0.00 C ATOM 1097 CG1 VAL A 777 -3.645 6.489 4.489 1.00 0.00 C ATOM 1098 CG2 VAL A 777 -1.722 8.094 4.516 1.00 0.00 C ATOM 0 H VAL A 777 -1.756 6.402 2.513 1.00 0.00 H new ATOM 0 HA VAL A 777 -4.208 7.736 2.146 1.00 0.00 H new ATOM 0 HB VAL A 777 -3.786 8.613 4.431 1.00 0.00 H new ATOM 0 HG11 VAL A 777 -3.600 6.444 5.577 1.00 0.00 H new ATOM 0 HG12 VAL A 777 -4.676 6.354 4.162 1.00 0.00 H new ATOM 0 HG13 VAL A 777 -3.024 5.699 4.067 1.00 0.00 H new ATOM 0 HG21 VAL A 777 -1.703 8.027 5.604 1.00 0.00 H new ATOM 0 HG22 VAL A 777 -1.049 7.348 4.095 1.00 0.00 H new ATOM 0 HG23 VAL A 777 -1.399 9.089 4.209 1.00 0.00 H new ATOM 1108 N ALA A 778 -1.480 9.530 1.842 1.00 0.00 N ATOM 1109 CA ALA A 778 -0.958 10.826 1.426 1.00 0.00 C ATOM 1110 C ALA A 778 -1.646 11.312 0.154 1.00 0.00 C ATOM 1111 O ALA A 778 -1.995 12.486 0.036 1.00 0.00 O ATOM 1112 CB ALA A 778 0.547 10.746 1.216 1.00 0.00 C ATOM 0 H ALA A 778 -0.770 8.806 1.956 1.00 0.00 H new ATOM 0 HA ALA A 778 -1.166 11.545 2.218 1.00 0.00 H new ATOM 0 HB1 ALA A 778 0.923 11.721 0.906 1.00 0.00 H new ATOM 0 HB2 ALA A 778 1.029 10.451 2.148 1.00 0.00 H new ATOM 0 HB3 ALA A 778 0.768 10.009 0.444 1.00 0.00 H new ATOM 1118 N ALA A 779 -1.837 10.401 -0.794 1.00 0.00 N ATOM 1119 CA ALA A 779 -2.485 10.737 -2.057 1.00 0.00 C ATOM 1120 C ALA A 779 -4.000 10.606 -1.948 1.00 0.00 C ATOM 1121 O ALA A 779 -4.742 11.477 -2.401 1.00 0.00 O ATOM 1122 CB ALA A 779 -1.954 9.851 -3.174 1.00 0.00 C ATOM 0 H ALA A 779 -1.553 9.425 -0.712 1.00 0.00 H new ATOM 0 HA ALA A 779 -2.253 11.776 -2.292 1.00 0.00 H new ATOM 0 HB1 ALA A 779 -2.446 10.112 -4.111 1.00 0.00 H new ATOM 0 HB2 ALA A 779 -0.879 9.998 -3.275 1.00 0.00 H new ATOM 0 HB3 ALA A 779 -2.156 8.806 -2.937 1.00 0.00 H new ATOM 1128 N ALA A 780 -4.453 9.511 -1.346 1.00 0.00 N ATOM 1129 CA ALA A 780 -5.880 9.266 -1.178 1.00 0.00 C ATOM 1130 C ALA A 780 -6.606 10.533 -0.737 1.00 0.00 C ATOM 1131 O ALA A 780 -7.714 10.815 -1.193 1.00 0.00 O ATOM 1132 CB ALA A 780 -6.109 8.148 -0.172 1.00 0.00 C ATOM 0 H ALA A 780 -3.852 8.779 -0.967 1.00 0.00 H new ATOM 0 HA ALA A 780 -6.287 8.961 -2.142 1.00 0.00 H new ATOM 0 HB1 ALA A 780 -7.179 7.976 -0.057 1.00 0.00 H new ATOM 0 HB2 ALA A 780 -5.631 7.235 -0.527 1.00 0.00 H new ATOM 0 HB3 ALA A 780 -5.681 8.431 0.790 1.00 0.00 H new ATOM 1138 N ARG A 781 -5.974 11.292 0.152 1.00 0.00 N ATOM 1139 CA ARG A 781 -6.561 12.528 0.656 1.00 0.00 C ATOM 1140 C ARG A 781 -6.506 13.627 -0.402 1.00 0.00 C ATOM 1141 O ARG A 781 -7.392 14.478 -0.475 1.00 0.00 O ATOM 1142 CB ARG A 781 -5.832 12.986 1.920 1.00 0.00 C ATOM 1143 CG ARG A 781 -4.343 13.213 1.717 1.00 0.00 C ATOM 1144 CD ARG A 781 -3.580 13.118 3.029 1.00 0.00 C ATOM 1145 NE ARG A 781 -3.817 14.278 3.884 1.00 0.00 N ATOM 1146 CZ ARG A 781 -3.068 14.578 4.939 1.00 0.00 C ATOM 1147 NH1 ARG A 781 -2.039 13.808 5.266 1.00 0.00 N ATOM 1148 NH2 ARG A 781 -3.347 15.650 5.669 1.00 0.00 N ATOM 0 H ARG A 781 -5.056 11.073 0.538 1.00 0.00 H new ATOM 0 HA ARG A 781 -7.606 12.332 0.898 1.00 0.00 H new ATOM 0 HB2 ARG A 781 -6.286 13.911 2.276 1.00 0.00 H new ATOM 0 HB3 ARG A 781 -5.974 12.239 2.701 1.00 0.00 H new ATOM 0 HG2 ARG A 781 -3.954 12.476 1.015 1.00 0.00 H new ATOM 0 HG3 ARG A 781 -4.181 14.194 1.271 1.00 0.00 H new ATOM 0 HD2 ARG A 781 -3.877 12.212 3.557 1.00 0.00 H new ATOM 0 HD3 ARG A 781 -2.513 13.031 2.823 1.00 0.00 H new ATOM 0 HE ARG A 781 -4.600 14.891 3.659 1.00 0.00 H new ATOM 0 HH11 ARG A 781 -1.821 12.983 4.707 1.00 0.00 H new ATOM 0 HH12 ARG A 781 -1.465 14.041 6.077 1.00 0.00 H new ATOM 0 HH21 ARG A 781 -4.137 16.245 5.420 1.00 0.00 H new ATOM 0 HH22 ARG A 781 -2.771 15.879 6.479 1.00 0.00 H new