USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 470 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 726 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 727 GLN : amide:sc= -0.447 K(o=-0.45,f=-2.3!) USER MOD Single : A 729 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 733 LYS NZ :NH3+ -155:sc= -0.684 (180deg=-1.38!) USER MOD Single : A 734 LYS NZ :NH3+ -162:sc= -0.0127 (180deg=-0.184) USER MOD Single : A 735 MET CE :methyl -141:sc= -4.09! (180deg=-7.19!) USER MOD Single : A 736 MET CE :methyl -157:sc=-0.00715 (180deg=-1.29) USER MOD Single : A 740 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 742 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 746 THR OG1 : rot 180:sc= -0.216 USER MOD Single : A 748 SER OG : rot 180:sc= 0 USER MOD Single : A 753 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 754 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 756 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 758 SER OG : rot 180:sc= 0 USER MOD Single : A 761 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 765 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 766 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 767 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0505) USER MOD Single : A 774 ASN : amide:sc= -1.3 K(o=-1.3,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 224 N ILE A 725 10.092 -9.177 -4.414 1.00 0.00 N ATOM 225 CA ILE A 725 9.585 -7.968 -3.778 1.00 0.00 C ATOM 226 C ILE A 725 8.407 -7.391 -4.556 1.00 0.00 C ATOM 227 O ILE A 725 7.323 -7.196 -4.006 1.00 0.00 O ATOM 228 CB ILE A 725 10.682 -6.893 -3.657 1.00 0.00 C ATOM 229 CG1 ILE A 725 11.832 -7.403 -2.786 1.00 0.00 C ATOM 230 CG2 ILE A 725 10.103 -5.609 -3.082 1.00 0.00 C ATOM 231 CD1 ILE A 725 12.893 -8.150 -3.563 1.00 0.00 C ATOM 0 HA ILE A 725 9.254 -8.252 -2.779 1.00 0.00 H new ATOM 0 HB ILE A 725 11.073 -6.679 -4.652 1.00 0.00 H new ATOM 0 HG12 ILE A 725 12.294 -6.557 -2.277 1.00 0.00 H new ATOM 0 HG13 ILE A 725 11.429 -8.059 -2.014 1.00 0.00 H new ATOM 0 HG21 ILE A 725 10.890 -4.859 -3.002 1.00 0.00 H new ATOM 0 HG22 ILE A 725 9.315 -5.240 -3.738 1.00 0.00 H new ATOM 0 HG23 ILE A 725 9.689 -5.807 -2.093 1.00 0.00 H new ATOM 0 HD11 ILE A 725 13.677 -8.482 -2.882 1.00 0.00 H new ATOM 0 HD12 ILE A 725 12.445 -9.016 -4.051 1.00 0.00 H new ATOM 0 HD13 ILE A 725 13.323 -7.491 -4.317 1.00 0.00 H new ATOM 243 N MET A 726 8.627 -7.121 -5.838 1.00 0.00 N ATOM 244 CA MET A 726 7.582 -6.568 -6.693 1.00 0.00 C ATOM 245 C MET A 726 6.269 -7.320 -6.500 1.00 0.00 C ATOM 246 O MET A 726 5.274 -6.745 -6.060 1.00 0.00 O ATOM 247 CB MET A 726 8.009 -6.630 -8.161 1.00 0.00 C ATOM 248 CG MET A 726 9.048 -5.587 -8.536 1.00 0.00 C ATOM 249 SD MET A 726 9.782 -5.888 -10.155 1.00 0.00 S ATOM 250 CE MET A 726 8.853 -4.739 -11.167 1.00 0.00 C ATOM 0 H MET A 726 9.519 -7.276 -6.308 1.00 0.00 H new ATOM 0 HA MET A 726 7.428 -5.526 -6.411 1.00 0.00 H new ATOM 0 HB2 MET A 726 8.409 -7.622 -8.373 1.00 0.00 H new ATOM 0 HB3 MET A 726 7.130 -6.499 -8.792 1.00 0.00 H new ATOM 0 HG2 MET A 726 8.585 -4.600 -8.529 1.00 0.00 H new ATOM 0 HG3 MET A 726 9.834 -5.576 -7.781 1.00 0.00 H new ATOM 0 HE1 MET A 726 9.193 -4.807 -12.200 1.00 0.00 H new ATOM 0 HE2 MET A 726 7.792 -4.985 -11.117 1.00 0.00 H new ATOM 0 HE3 MET A 726 9.008 -3.724 -10.801 1.00 0.00 H new ATOM 260 N GLN A 727 6.275 -8.607 -6.834 1.00 0.00 N ATOM 261 CA GLN A 727 5.082 -9.435 -6.698 1.00 0.00 C ATOM 262 C GLN A 727 4.356 -9.134 -5.392 1.00 0.00 C ATOM 263 O GLN A 727 3.169 -8.808 -5.391 1.00 0.00 O ATOM 264 CB GLN A 727 5.457 -10.917 -6.757 1.00 0.00 C ATOM 265 CG GLN A 727 4.263 -11.851 -6.638 1.00 0.00 C ATOM 266 CD GLN A 727 3.343 -11.778 -7.841 1.00 0.00 C ATOM 267 OE1 GLN A 727 2.744 -10.738 -8.116 1.00 0.00 O ATOM 268 NE2 GLN A 727 3.226 -12.885 -8.566 1.00 0.00 N ATOM 0 H GLN A 727 7.091 -9.098 -7.200 1.00 0.00 H new ATOM 0 HA GLN A 727 4.412 -9.203 -7.526 1.00 0.00 H new ATOM 0 HB2 GLN A 727 5.971 -11.116 -7.697 1.00 0.00 H new ATOM 0 HB3 GLN A 727 6.162 -11.137 -5.955 1.00 0.00 H new ATOM 0 HG2 GLN A 727 4.618 -12.875 -6.518 1.00 0.00 H new ATOM 0 HG3 GLN A 727 3.700 -11.602 -5.739 1.00 0.00 H new ATOM 0 HE21 GLN A 727 3.741 -13.725 -8.302 1.00 0.00 H new ATOM 0 HE22 GLN A 727 2.621 -12.895 -9.387 1.00 0.00 H new ATOM 277 N ALA A 728 5.076 -9.245 -4.280 1.00 0.00 N ATOM 278 CA ALA A 728 4.499 -8.983 -2.967 1.00 0.00 C ATOM 279 C ALA A 728 3.909 -7.578 -2.897 1.00 0.00 C ATOM 280 O ALA A 728 2.719 -7.406 -2.634 1.00 0.00 O ATOM 281 CB ALA A 728 5.550 -9.171 -1.883 1.00 0.00 C ATOM 0 H ALA A 728 6.060 -9.515 -4.262 1.00 0.00 H new ATOM 0 HA ALA A 728 3.691 -9.696 -2.803 1.00 0.00 H new ATOM 0 HB1 ALA A 728 5.106 -8.972 -0.907 1.00 0.00 H new ATOM 0 HB2 ALA A 728 5.922 -10.195 -1.911 1.00 0.00 H new ATOM 0 HB3 ALA A 728 6.376 -8.480 -2.053 1.00 0.00 H new ATOM 287 N LYS A 729 4.749 -6.576 -3.134 1.00 0.00 N ATOM 288 CA LYS A 729 4.312 -5.186 -3.099 1.00 0.00 C ATOM 289 C LYS A 729 3.020 -5.002 -3.889 1.00 0.00 C ATOM 290 O LYS A 729 2.135 -4.251 -3.481 1.00 0.00 O ATOM 291 CB LYS A 729 5.402 -4.272 -3.663 1.00 0.00 C ATOM 292 CG LYS A 729 6.385 -3.779 -2.615 1.00 0.00 C ATOM 293 CD LYS A 729 7.264 -2.664 -3.156 1.00 0.00 C ATOM 294 CE LYS A 729 7.956 -1.906 -2.033 1.00 0.00 C ATOM 295 NZ LYS A 729 9.275 -2.505 -1.691 1.00 0.00 N ATOM 0 H LYS A 729 5.737 -6.701 -3.353 1.00 0.00 H new ATOM 0 HA LYS A 729 4.123 -4.917 -2.060 1.00 0.00 H new ATOM 0 HB2 LYS A 729 5.949 -4.809 -4.438 1.00 0.00 H new ATOM 0 HB3 LYS A 729 4.932 -3.413 -4.141 1.00 0.00 H new ATOM 0 HG2 LYS A 729 5.839 -3.422 -1.742 1.00 0.00 H new ATOM 0 HG3 LYS A 729 7.010 -4.608 -2.283 1.00 0.00 H new ATOM 0 HD2 LYS A 729 8.012 -3.083 -3.829 1.00 0.00 H new ATOM 0 HD3 LYS A 729 6.658 -1.974 -3.743 1.00 0.00 H new ATOM 0 HE2 LYS A 729 8.095 -0.866 -2.328 1.00 0.00 H new ATOM 0 HE3 LYS A 729 7.318 -1.904 -1.149 1.00 0.00 H new ATOM 0 HZ1 LYS A 729 9.715 -1.960 -0.922 1.00 0.00 H new ATOM 0 HZ2 LYS A 729 9.140 -3.490 -1.385 1.00 0.00 H new ATOM 0 HZ3 LYS A 729 9.893 -2.484 -2.527 1.00 0.00 H new ATOM 309 N GLU A 730 2.920 -5.693 -5.020 1.00 0.00 N ATOM 310 CA GLU A 730 1.736 -5.605 -5.866 1.00 0.00 C ATOM 311 C GLU A 730 0.493 -6.068 -5.112 1.00 0.00 C ATOM 312 O GLU A 730 -0.511 -5.358 -5.053 1.00 0.00 O ATOM 313 CB GLU A 730 1.921 -6.446 -7.131 1.00 0.00 C ATOM 314 CG GLU A 730 0.715 -6.429 -8.055 1.00 0.00 C ATOM 315 CD GLU A 730 0.789 -7.497 -9.129 1.00 0.00 C ATOM 316 OE1 GLU A 730 0.705 -8.694 -8.782 1.00 0.00 O ATOM 317 OE2 GLU A 730 0.931 -7.136 -10.316 1.00 0.00 O ATOM 0 H GLU A 730 3.644 -6.320 -5.371 1.00 0.00 H new ATOM 0 HA GLU A 730 1.601 -4.561 -6.149 1.00 0.00 H new ATOM 0 HB2 GLU A 730 2.791 -6.080 -7.676 1.00 0.00 H new ATOM 0 HB3 GLU A 730 2.134 -7.476 -6.845 1.00 0.00 H new ATOM 0 HG2 GLU A 730 -0.191 -6.573 -7.467 1.00 0.00 H new ATOM 0 HG3 GLU A 730 0.637 -5.449 -8.527 1.00 0.00 H new ATOM 324 N ASP A 731 0.568 -7.263 -4.537 1.00 0.00 N ATOM 325 CA ASP A 731 -0.550 -7.822 -3.785 1.00 0.00 C ATOM 326 C ASP A 731 -0.995 -6.866 -2.683 1.00 0.00 C ATOM 327 O ASP A 731 -2.176 -6.805 -2.340 1.00 0.00 O ATOM 328 CB ASP A 731 -0.161 -9.172 -3.181 1.00 0.00 C ATOM 329 CG ASP A 731 0.582 -10.054 -4.165 1.00 0.00 C ATOM 330 OD1 ASP A 731 0.212 -10.055 -5.358 1.00 0.00 O ATOM 331 OD2 ASP A 731 1.533 -10.743 -3.742 1.00 0.00 O ATOM 0 H ASP A 731 1.391 -7.864 -4.577 1.00 0.00 H new ATOM 0 HA ASP A 731 -1.383 -7.967 -4.473 1.00 0.00 H new ATOM 0 HB2 ASP A 731 0.463 -9.007 -2.302 1.00 0.00 H new ATOM 0 HB3 ASP A 731 -1.060 -9.688 -2.842 1.00 0.00 H new ATOM 336 N PHE A 732 -0.042 -6.123 -2.131 1.00 0.00 N ATOM 337 CA PHE A 732 -0.336 -5.171 -1.065 1.00 0.00 C ATOM 338 C PHE A 732 -0.944 -3.891 -1.631 1.00 0.00 C ATOM 339 O PHE A 732 -2.102 -3.569 -1.365 1.00 0.00 O ATOM 340 CB PHE A 732 0.936 -4.842 -0.281 1.00 0.00 C ATOM 341 CG PHE A 732 0.697 -3.944 0.899 1.00 0.00 C ATOM 342 CD1 PHE A 732 -0.107 -4.356 1.948 1.00 0.00 C ATOM 343 CD2 PHE A 732 1.278 -2.687 0.958 1.00 0.00 C ATOM 344 CE1 PHE A 732 -0.329 -3.533 3.036 1.00 0.00 C ATOM 345 CE2 PHE A 732 1.061 -1.860 2.043 1.00 0.00 C ATOM 346 CZ PHE A 732 0.255 -2.282 3.083 1.00 0.00 C ATOM 0 H PHE A 732 0.940 -6.161 -2.404 1.00 0.00 H new ATOM 0 HA PHE A 732 -1.061 -5.630 -0.392 1.00 0.00 H new ATOM 0 HB2 PHE A 732 1.390 -5.770 0.065 1.00 0.00 H new ATOM 0 HB3 PHE A 732 1.653 -4.366 -0.950 1.00 0.00 H new ATOM 0 HD1 PHE A 732 -0.567 -5.333 1.916 1.00 0.00 H new ATOM 0 HD2 PHE A 732 1.907 -2.351 0.147 1.00 0.00 H new ATOM 0 HE1 PHE A 732 -0.958 -3.867 3.848 1.00 0.00 H new ATOM 0 HE2 PHE A 732 1.521 -0.884 2.078 1.00 0.00 H new ATOM 0 HZ PHE A 732 0.082 -1.635 3.931 1.00 0.00 H new ATOM 356 N LYS A 733 -0.154 -3.164 -2.414 1.00 0.00 N ATOM 357 CA LYS A 733 -0.612 -1.919 -3.019 1.00 0.00 C ATOM 358 C LYS A 733 -1.965 -2.109 -3.697 1.00 0.00 C ATOM 359 O LYS A 733 -2.823 -1.228 -3.652 1.00 0.00 O ATOM 360 CB LYS A 733 0.414 -1.416 -4.037 1.00 0.00 C ATOM 361 CG LYS A 733 0.513 -2.282 -5.281 1.00 0.00 C ATOM 362 CD LYS A 733 -0.451 -1.820 -6.361 1.00 0.00 C ATOM 363 CE LYS A 733 0.155 -0.716 -7.213 1.00 0.00 C ATOM 364 NZ LYS A 733 0.055 0.614 -6.552 1.00 0.00 N ATOM 0 H LYS A 733 0.807 -3.416 -2.645 1.00 0.00 H new ATOM 0 HA LYS A 733 -0.723 -1.178 -2.227 1.00 0.00 H new ATOM 0 HB2 LYS A 733 0.152 -0.400 -4.332 1.00 0.00 H new ATOM 0 HB3 LYS A 733 1.393 -1.367 -3.560 1.00 0.00 H new ATOM 0 HG2 LYS A 733 1.533 -2.253 -5.665 1.00 0.00 H new ATOM 0 HG3 LYS A 733 0.300 -3.319 -5.021 1.00 0.00 H new ATOM 0 HD2 LYS A 733 -0.720 -2.664 -6.995 1.00 0.00 H new ATOM 0 HD3 LYS A 733 -1.371 -1.462 -5.900 1.00 0.00 H new ATOM 0 HE2 LYS A 733 1.202 -0.945 -7.412 1.00 0.00 H new ATOM 0 HE3 LYS A 733 -0.353 -0.681 -8.177 1.00 0.00 H new ATOM 0 HZ1 LYS A 733 0.070 1.362 -7.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 733 -0.834 0.669 -6.015 1.00 0.00 H new ATOM 0 HZ3 LYS A 733 0.859 0.741 -5.905 1.00 0.00 H new ATOM 378 N LYS A 734 -2.150 -3.266 -4.325 1.00 0.00 N ATOM 379 CA LYS A 734 -3.399 -3.574 -5.010 1.00 0.00 C ATOM 380 C LYS A 734 -4.500 -3.912 -4.009 1.00 0.00 C ATOM 381 O LYS A 734 -5.642 -3.479 -4.159 1.00 0.00 O ATOM 382 CB LYS A 734 -3.200 -4.742 -5.978 1.00 0.00 C ATOM 383 CG LYS A 734 -2.370 -4.385 -7.199 1.00 0.00 C ATOM 384 CD LYS A 734 -2.762 -5.223 -8.404 1.00 0.00 C ATOM 385 CE LYS A 734 -2.419 -4.519 -9.708 1.00 0.00 C ATOM 386 NZ LYS A 734 -3.320 -3.362 -9.967 1.00 0.00 N ATOM 0 H LYS A 734 -1.450 -4.006 -4.373 1.00 0.00 H new ATOM 0 HA LYS A 734 -3.702 -2.691 -5.573 1.00 0.00 H new ATOM 0 HB2 LYS A 734 -2.718 -5.564 -5.449 1.00 0.00 H new ATOM 0 HB3 LYS A 734 -4.175 -5.102 -6.305 1.00 0.00 H new ATOM 0 HG2 LYS A 734 -2.500 -3.328 -7.432 1.00 0.00 H new ATOM 0 HG3 LYS A 734 -1.313 -4.535 -6.978 1.00 0.00 H new ATOM 0 HD2 LYS A 734 -2.249 -6.184 -8.362 1.00 0.00 H new ATOM 0 HD3 LYS A 734 -3.832 -5.431 -8.372 1.00 0.00 H new ATOM 0 HE2 LYS A 734 -1.386 -4.174 -9.674 1.00 0.00 H new ATOM 0 HE3 LYS A 734 -2.491 -5.227 -10.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 734 -3.268 -3.100 -10.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 734 -4.298 -3.623 -9.727 1.00 0.00 H new ATOM 0 HZ3 LYS A 734 -3.024 -2.554 -9.383 1.00 0.00 H new ATOM 400 N MET A 735 -4.148 -4.686 -2.988 1.00 0.00 N ATOM 401 CA MET A 735 -5.106 -5.079 -1.961 1.00 0.00 C ATOM 402 C MET A 735 -5.742 -3.853 -1.314 1.00 0.00 C ATOM 403 O MET A 735 -6.935 -3.848 -1.013 1.00 0.00 O ATOM 404 CB MET A 735 -4.420 -5.936 -0.895 1.00 0.00 C ATOM 405 CG MET A 735 -5.178 -5.988 0.422 1.00 0.00 C ATOM 406 SD MET A 735 -4.779 -4.605 1.508 1.00 0.00 S ATOM 407 CE MET A 735 -3.039 -4.902 1.809 1.00 0.00 C ATOM 0 H MET A 735 -3.207 -5.054 -2.850 1.00 0.00 H new ATOM 0 HA MET A 735 -5.892 -5.665 -2.437 1.00 0.00 H new ATOM 0 HB2 MET A 735 -4.301 -6.950 -1.277 1.00 0.00 H new ATOM 0 HB3 MET A 735 -3.419 -5.544 -0.714 1.00 0.00 H new ATOM 0 HG2 MET A 735 -6.249 -5.989 0.220 1.00 0.00 H new ATOM 0 HG3 MET A 735 -4.949 -6.924 0.932 1.00 0.00 H new ATOM 0 HE1 MET A 735 -2.806 -4.674 2.849 1.00 0.00 H new ATOM 0 HE2 MET A 735 -2.808 -5.948 1.606 1.00 0.00 H new ATOM 0 HE3 MET A 735 -2.443 -4.265 1.155 1.00 0.00 H new ATOM 417 N MET A 736 -4.938 -2.816 -1.103 1.00 0.00 N ATOM 418 CA MET A 736 -5.424 -1.585 -0.491 1.00 0.00 C ATOM 419 C MET A 736 -6.285 -0.794 -1.472 1.00 0.00 C ATOM 420 O MET A 736 -7.407 -0.406 -1.151 1.00 0.00 O ATOM 421 CB MET A 736 -4.249 -0.726 -0.020 1.00 0.00 C ATOM 422 CG MET A 736 -3.657 -1.182 1.304 1.00 0.00 C ATOM 423 SD MET A 736 -2.676 0.102 2.105 1.00 0.00 S ATOM 424 CE MET A 736 -1.352 0.308 0.916 1.00 0.00 C ATOM 0 H MET A 736 -3.948 -2.804 -1.347 1.00 0.00 H new ATOM 0 HA MET A 736 -6.037 -1.854 0.370 1.00 0.00 H new ATOM 0 HB2 MET A 736 -3.470 -0.741 -0.782 1.00 0.00 H new ATOM 0 HB3 MET A 736 -4.581 0.308 0.076 1.00 0.00 H new ATOM 0 HG2 MET A 736 -4.462 -1.488 1.972 1.00 0.00 H new ATOM 0 HG3 MET A 736 -3.032 -2.059 1.135 1.00 0.00 H new ATOM 0 HE1 MET A 736 -0.480 0.733 1.413 1.00 0.00 H new ATOM 0 HE2 MET A 736 -1.091 -0.661 0.490 1.00 0.00 H new ATOM 0 HE3 MET A 736 -1.678 0.978 0.120 1.00 0.00 H new ATOM 434 N GLU A 737 -5.750 -0.560 -2.666 1.00 0.00 N ATOM 435 CA GLU A 737 -6.471 0.185 -3.692 1.00 0.00 C ATOM 436 C GLU A 737 -7.919 -0.287 -3.791 1.00 0.00 C ATOM 437 O GLU A 737 -8.837 0.521 -3.930 1.00 0.00 O ATOM 438 CB GLU A 737 -5.778 0.030 -5.047 1.00 0.00 C ATOM 439 CG GLU A 737 -4.616 0.987 -5.250 1.00 0.00 C ATOM 440 CD GLU A 737 -4.151 1.044 -6.692 1.00 0.00 C ATOM 441 OE1 GLU A 737 -5.007 1.223 -7.584 1.00 0.00 O ATOM 442 OE2 GLU A 737 -2.932 0.910 -6.929 1.00 0.00 O ATOM 0 H GLU A 737 -4.821 -0.875 -2.947 1.00 0.00 H new ATOM 0 HA GLU A 737 -6.469 1.238 -3.410 1.00 0.00 H new ATOM 0 HB2 GLU A 737 -5.416 -0.993 -5.145 1.00 0.00 H new ATOM 0 HB3 GLU A 737 -6.510 0.187 -5.840 1.00 0.00 H new ATOM 0 HG2 GLU A 737 -4.912 1.985 -4.928 1.00 0.00 H new ATOM 0 HG3 GLU A 737 -3.784 0.682 -4.616 1.00 0.00 H new ATOM 449 N GLU A 738 -8.113 -1.600 -3.719 1.00 0.00 N ATOM 450 CA GLU A 738 -9.449 -2.179 -3.802 1.00 0.00 C ATOM 451 C GLU A 738 -10.204 -1.996 -2.489 1.00 0.00 C ATOM 452 O GLU A 738 -11.398 -1.695 -2.484 1.00 0.00 O ATOM 453 CB GLU A 738 -9.363 -3.667 -4.150 1.00 0.00 C ATOM 454 CG GLU A 738 -8.966 -3.932 -5.592 1.00 0.00 C ATOM 455 CD GLU A 738 -10.001 -3.437 -6.583 1.00 0.00 C ATOM 456 OE1 GLU A 738 -11.083 -4.056 -6.670 1.00 0.00 O ATOM 457 OE2 GLU A 738 -9.731 -2.431 -7.272 1.00 0.00 O ATOM 0 H GLU A 738 -7.363 -2.282 -3.604 1.00 0.00 H new ATOM 0 HA GLU A 738 -9.994 -1.659 -4.590 1.00 0.00 H new ATOM 0 HB2 GLU A 738 -8.640 -4.145 -3.489 1.00 0.00 H new ATOM 0 HB3 GLU A 738 -10.329 -4.133 -3.956 1.00 0.00 H new ATOM 0 HG2 GLU A 738 -8.011 -3.447 -5.797 1.00 0.00 H new ATOM 0 HG3 GLU A 738 -8.817 -5.002 -5.733 1.00 0.00 H new ATOM 464 N ALA A 739 -9.500 -2.180 -1.377 1.00 0.00 N ATOM 465 CA ALA A 739 -10.102 -2.033 -0.058 1.00 0.00 C ATOM 466 C ALA A 739 -10.857 -0.713 0.057 1.00 0.00 C ATOM 467 O ALA A 739 -11.915 -0.644 0.684 1.00 0.00 O ATOM 468 CB ALA A 739 -9.036 -2.130 1.023 1.00 0.00 C ATOM 0 H ALA A 739 -8.512 -2.431 -1.364 1.00 0.00 H new ATOM 0 HA ALA A 739 -10.818 -2.844 0.080 1.00 0.00 H new ATOM 0 HB1 ALA A 739 -9.500 -2.018 2.003 1.00 0.00 H new ATOM 0 HB2 ALA A 739 -8.544 -3.101 0.963 1.00 0.00 H new ATOM 0 HB3 ALA A 739 -8.299 -1.340 0.879 1.00 0.00 H new ATOM 474 N LYS A 740 -10.307 0.332 -0.550 1.00 0.00 N ATOM 475 CA LYS A 740 -10.929 1.651 -0.517 1.00 0.00 C ATOM 476 C LYS A 740 -11.226 2.076 0.917 1.00 0.00 C ATOM 477 O LYS A 740 -12.316 2.565 1.217 1.00 0.00 O ATOM 478 CB LYS A 740 -12.220 1.650 -1.338 1.00 0.00 C ATOM 479 CG LYS A 740 -12.001 1.377 -2.816 1.00 0.00 C ATOM 480 CD LYS A 740 -11.589 2.636 -3.561 1.00 0.00 C ATOM 481 CE LYS A 740 -12.767 3.577 -3.758 1.00 0.00 C ATOM 482 NZ LYS A 740 -12.335 5.002 -3.810 1.00 0.00 N ATOM 0 H LYS A 740 -9.431 0.292 -1.071 1.00 0.00 H new ATOM 0 HA LYS A 740 -10.230 2.366 -0.952 1.00 0.00 H new ATOM 0 HB2 LYS A 740 -12.897 0.897 -0.934 1.00 0.00 H new ATOM 0 HB3 LYS A 740 -12.713 2.615 -1.225 1.00 0.00 H new ATOM 0 HG2 LYS A 740 -11.232 0.614 -2.936 1.00 0.00 H new ATOM 0 HG3 LYS A 740 -12.916 0.978 -3.253 1.00 0.00 H new ATOM 0 HD2 LYS A 740 -10.802 3.147 -3.006 1.00 0.00 H new ATOM 0 HD3 LYS A 740 -11.171 2.366 -4.531 1.00 0.00 H new ATOM 0 HE2 LYS A 740 -13.286 3.321 -4.682 1.00 0.00 H new ATOM 0 HE3 LYS A 740 -13.479 3.443 -2.944 1.00 0.00 H new ATOM 0 HZ1 LYS A 740 -13.166 5.612 -3.945 1.00 0.00 H new ATOM 0 HZ2 LYS A 740 -11.862 5.254 -2.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 740 -11.675 5.136 -4.602 1.00 0.00 H new ATOM 496 N PHE A 741 -10.251 1.888 1.800 1.00 0.00 N ATOM 497 CA PHE A 741 -10.408 2.253 3.203 1.00 0.00 C ATOM 498 C PHE A 741 -10.317 3.765 3.386 1.00 0.00 C ATOM 499 O PHE A 741 -10.128 4.506 2.423 1.00 0.00 O ATOM 500 CB PHE A 741 -9.343 1.559 4.055 1.00 0.00 C ATOM 501 CG PHE A 741 -7.938 1.951 3.694 1.00 0.00 C ATOM 502 CD1 PHE A 741 -7.380 3.117 4.192 1.00 0.00 C ATOM 503 CD2 PHE A 741 -7.176 1.153 2.856 1.00 0.00 C ATOM 504 CE1 PHE A 741 -6.088 3.480 3.861 1.00 0.00 C ATOM 505 CE2 PHE A 741 -5.884 1.510 2.521 1.00 0.00 C ATOM 506 CZ PHE A 741 -5.339 2.675 3.025 1.00 0.00 C ATOM 0 H PHE A 741 -9.343 1.485 1.569 1.00 0.00 H new ATOM 0 HA PHE A 741 -11.395 1.925 3.529 1.00 0.00 H new ATOM 0 HB2 PHE A 741 -9.519 1.794 5.105 1.00 0.00 H new ATOM 0 HB3 PHE A 741 -9.450 0.480 3.948 1.00 0.00 H new ATOM 0 HD1 PHE A 741 -7.961 3.750 4.846 1.00 0.00 H new ATOM 0 HD2 PHE A 741 -7.597 0.241 2.460 1.00 0.00 H new ATOM 0 HE1 PHE A 741 -5.665 4.392 4.256 1.00 0.00 H new ATOM 0 HE2 PHE A 741 -5.301 0.879 1.866 1.00 0.00 H new ATOM 0 HZ PHE A 741 -4.329 2.956 2.766 1.00 0.00 H new ATOM 516 N ASN A 742 -10.453 4.214 4.629 1.00 0.00 N ATOM 517 CA ASN A 742 -10.387 5.637 4.939 1.00 0.00 C ATOM 518 C ASN A 742 -9.048 5.994 5.578 1.00 0.00 C ATOM 519 O ASN A 742 -8.491 5.238 6.374 1.00 0.00 O ATOM 520 CB ASN A 742 -11.532 6.030 5.875 1.00 0.00 C ATOM 521 CG ASN A 742 -12.892 5.879 5.221 1.00 0.00 C ATOM 522 OD1 ASN A 742 -13.185 6.527 4.216 1.00 0.00 O ATOM 523 ND2 ASN A 742 -13.729 5.020 5.789 1.00 0.00 N ATOM 0 H ASN A 742 -10.610 3.613 5.438 1.00 0.00 H new ATOM 0 HA ASN A 742 -10.483 6.191 4.005 1.00 0.00 H new ATOM 0 HB2 ASN A 742 -11.493 5.412 6.772 1.00 0.00 H new ATOM 0 HB3 ASN A 742 -11.398 7.064 6.194 1.00 0.00 H new ATOM 0 HD21 ASN A 742 -14.658 4.875 5.393 1.00 0.00 H new ATOM 0 HD22 ASN A 742 -13.443 4.504 6.621 1.00 0.00 H new ATOM 530 N PRO A 743 -8.518 7.173 5.221 1.00 0.00 N ATOM 531 CA PRO A 743 -7.239 7.658 5.748 1.00 0.00 C ATOM 532 C PRO A 743 -7.324 8.031 7.224 1.00 0.00 C ATOM 533 O PRO A 743 -6.304 8.231 7.884 1.00 0.00 O ATOM 534 CB PRO A 743 -6.952 8.898 4.899 1.00 0.00 C ATOM 535 CG PRO A 743 -8.292 9.364 4.445 1.00 0.00 C ATOM 536 CD PRO A 743 -9.126 8.125 4.277 1.00 0.00 C ATOM 0 HA PRO A 743 -6.461 6.897 5.692 1.00 0.00 H new ATOM 0 HB2 PRO A 743 -6.442 9.666 5.480 1.00 0.00 H new ATOM 0 HB3 PRO A 743 -6.308 8.658 4.053 1.00 0.00 H new ATOM 0 HG2 PRO A 743 -8.738 10.039 5.175 1.00 0.00 H new ATOM 0 HG3 PRO A 743 -8.217 9.914 3.507 1.00 0.00 H new ATOM 0 HD2 PRO A 743 -10.174 8.311 4.513 1.00 0.00 H new ATOM 0 HD3 PRO A 743 -9.091 7.753 3.253 1.00 0.00 H new ATOM 544 N ARG A 744 -8.547 8.123 7.737 1.00 0.00 N ATOM 545 CA ARG A 744 -8.765 8.473 9.135 1.00 0.00 C ATOM 546 C ARG A 744 -8.219 7.388 10.059 1.00 0.00 C ATOM 547 O ARG A 744 -7.631 7.683 11.100 1.00 0.00 O ATOM 548 CB ARG A 744 -10.256 8.683 9.404 1.00 0.00 C ATOM 549 CG ARG A 744 -10.872 9.800 8.577 1.00 0.00 C ATOM 550 CD ARG A 744 -12.241 10.196 9.108 1.00 0.00 C ATOM 551 NE ARG A 744 -12.745 11.410 8.472 1.00 0.00 N ATOM 552 CZ ARG A 744 -13.909 11.972 8.779 1.00 0.00 C ATOM 553 NH1 ARG A 744 -14.686 11.431 9.707 1.00 0.00 N ATOM 554 NH2 ARG A 744 -14.298 13.077 8.156 1.00 0.00 N ATOM 0 H ARG A 744 -9.402 7.960 7.205 1.00 0.00 H new ATOM 0 HA ARG A 744 -8.232 9.402 9.338 1.00 0.00 H new ATOM 0 HB2 ARG A 744 -10.788 7.754 9.198 1.00 0.00 H new ATOM 0 HB3 ARG A 744 -10.398 8.904 10.462 1.00 0.00 H new ATOM 0 HG2 ARG A 744 -10.212 10.667 8.586 1.00 0.00 H new ATOM 0 HG3 ARG A 744 -10.962 9.479 7.539 1.00 0.00 H new ATOM 0 HD2 ARG A 744 -12.944 9.380 8.941 1.00 0.00 H new ATOM 0 HD3 ARG A 744 -12.181 10.349 10.186 1.00 0.00 H new ATOM 0 HE ARG A 744 -12.172 11.851 7.752 1.00 0.00 H new ATOM 0 HH11 ARG A 744 -14.391 10.581 10.187 1.00 0.00 H new ATOM 0 HH12 ARG A 744 -15.579 11.865 9.941 1.00 0.00 H new ATOM 0 HH21 ARG A 744 -13.703 13.496 7.441 1.00 0.00 H new ATOM 0 HH22 ARG A 744 -15.192 13.508 8.392 1.00 0.00 H new ATOM 568 N ALA A 745 -8.417 6.133 9.671 1.00 0.00 N ATOM 569 CA ALA A 745 -7.944 5.004 10.463 1.00 0.00 C ATOM 570 C ALA A 745 -6.427 5.039 10.617 1.00 0.00 C ATOM 571 O ALA A 745 -5.708 5.444 9.702 1.00 0.00 O ATOM 572 CB ALA A 745 -8.381 3.693 9.827 1.00 0.00 C ATOM 0 H ALA A 745 -8.902 5.872 8.813 1.00 0.00 H new ATOM 0 HA ALA A 745 -8.386 5.078 11.456 1.00 0.00 H new ATOM 0 HB1 ALA A 745 -8.021 2.859 10.429 1.00 0.00 H new ATOM 0 HB2 ALA A 745 -9.469 3.659 9.774 1.00 0.00 H new ATOM 0 HB3 ALA A 745 -7.966 3.620 8.822 1.00 0.00 H new ATOM 578 N THR A 746 -5.944 4.614 11.780 1.00 0.00 N ATOM 579 CA THR A 746 -4.513 4.598 12.054 1.00 0.00 C ATOM 580 C THR A 746 -3.856 3.349 11.478 1.00 0.00 C ATOM 581 O THR A 746 -4.535 2.379 11.138 1.00 0.00 O ATOM 582 CB THR A 746 -4.230 4.662 13.567 1.00 0.00 C ATOM 583 OG1 THR A 746 -2.818 4.708 13.800 1.00 0.00 O ATOM 584 CG2 THR A 746 -4.828 3.459 14.281 1.00 0.00 C ATOM 0 H THR A 746 -6.524 4.276 12.548 1.00 0.00 H new ATOM 0 HA THR A 746 -4.090 5.481 11.575 1.00 0.00 H new ATOM 0 HB THR A 746 -4.693 5.566 13.963 1.00 0.00 H new ATOM 0 HG1 THR A 746 -2.647 4.750 14.764 1.00 0.00 H new ATOM 0 HG21 THR A 746 -4.615 3.526 15.348 1.00 0.00 H new ATOM 0 HG22 THR A 746 -5.907 3.443 14.126 1.00 0.00 H new ATOM 0 HG23 THR A 746 -4.391 2.544 13.881 1.00 0.00 H new ATOM 592 N PHE A 747 -2.532 3.378 11.372 1.00 0.00 N ATOM 593 CA PHE A 747 -1.783 2.247 10.837 1.00 0.00 C ATOM 594 C PHE A 747 -2.051 0.983 11.650 1.00 0.00 C ATOM 595 O PHE A 747 -2.220 -0.102 11.093 1.00 0.00 O ATOM 596 CB PHE A 747 -0.284 2.556 10.834 1.00 0.00 C ATOM 597 CG PHE A 747 0.579 1.336 10.686 1.00 0.00 C ATOM 598 CD1 PHE A 747 0.398 0.468 9.621 1.00 0.00 C ATOM 599 CD2 PHE A 747 1.571 1.056 11.612 1.00 0.00 C ATOM 600 CE1 PHE A 747 1.191 -0.656 9.481 1.00 0.00 C ATOM 601 CE2 PHE A 747 2.367 -0.065 11.477 1.00 0.00 C ATOM 602 CZ PHE A 747 2.176 -0.923 10.411 1.00 0.00 C ATOM 0 H PHE A 747 -1.955 4.172 11.649 1.00 0.00 H new ATOM 0 HA PHE A 747 -2.114 2.076 9.813 1.00 0.00 H new ATOM 0 HB2 PHE A 747 -0.065 3.247 10.020 1.00 0.00 H new ATOM 0 HB3 PHE A 747 -0.024 3.065 11.762 1.00 0.00 H new ATOM 0 HD1 PHE A 747 -0.372 0.672 8.891 1.00 0.00 H new ATOM 0 HD2 PHE A 747 1.724 1.722 12.449 1.00 0.00 H new ATOM 0 HE1 PHE A 747 1.040 -1.324 8.646 1.00 0.00 H new ATOM 0 HE2 PHE A 747 3.138 -0.271 12.204 1.00 0.00 H new ATOM 0 HZ PHE A 747 2.796 -1.801 10.305 1.00 0.00 H new ATOM 612 N SER A 748 -2.089 1.133 12.970 1.00 0.00 N ATOM 613 CA SER A 748 -2.332 0.004 13.861 1.00 0.00 C ATOM 614 C SER A 748 -3.653 -0.680 13.522 1.00 0.00 C ATOM 615 O SER A 748 -3.694 -1.885 13.276 1.00 0.00 O ATOM 616 CB SER A 748 -2.346 0.470 15.318 1.00 0.00 C ATOM 617 OG SER A 748 -2.626 -0.607 16.195 1.00 0.00 O ATOM 0 H SER A 748 -1.955 2.025 13.446 1.00 0.00 H new ATOM 0 HA SER A 748 -1.524 -0.715 13.725 1.00 0.00 H new ATOM 0 HB2 SER A 748 -1.381 0.909 15.572 1.00 0.00 H new ATOM 0 HB3 SER A 748 -3.095 1.252 15.446 1.00 0.00 H new ATOM 0 HG SER A 748 -2.628 -0.284 17.120 1.00 0.00 H new ATOM 623 N GLU A 749 -4.731 0.098 13.511 1.00 0.00 N ATOM 624 CA GLU A 749 -6.053 -0.433 13.204 1.00 0.00 C ATOM 625 C GLU A 749 -6.070 -1.086 11.825 1.00 0.00 C ATOM 626 O GLU A 749 -6.567 -2.200 11.659 1.00 0.00 O ATOM 627 CB GLU A 749 -7.101 0.681 13.266 1.00 0.00 C ATOM 628 CG GLU A 749 -7.560 1.006 14.677 1.00 0.00 C ATOM 629 CD GLU A 749 -8.140 -0.197 15.394 1.00 0.00 C ATOM 630 OE1 GLU A 749 -9.297 -0.563 15.101 1.00 0.00 O ATOM 631 OE2 GLU A 749 -7.435 -0.774 16.249 1.00 0.00 O ATOM 0 H GLU A 749 -4.714 1.098 13.711 1.00 0.00 H new ATOM 0 HA GLU A 749 -6.294 -1.191 13.949 1.00 0.00 H new ATOM 0 HB2 GLU A 749 -6.689 1.582 12.810 1.00 0.00 H new ATOM 0 HB3 GLU A 749 -7.965 0.389 12.670 1.00 0.00 H new ATOM 0 HG2 GLU A 749 -6.717 1.393 15.249 1.00 0.00 H new ATOM 0 HG3 GLU A 749 -8.309 1.797 14.638 1.00 0.00 H new ATOM 638 N PHE A 750 -5.524 -0.384 10.837 1.00 0.00 N ATOM 639 CA PHE A 750 -5.477 -0.894 9.472 1.00 0.00 C ATOM 640 C PHE A 750 -4.675 -2.190 9.403 1.00 0.00 C ATOM 641 O PHE A 750 -5.037 -3.118 8.680 1.00 0.00 O ATOM 642 CB PHE A 750 -4.862 0.150 8.536 1.00 0.00 C ATOM 643 CG PHE A 750 -4.372 -0.424 7.238 1.00 0.00 C ATOM 644 CD1 PHE A 750 -5.233 -0.572 6.162 1.00 0.00 C ATOM 645 CD2 PHE A 750 -3.052 -0.817 7.093 1.00 0.00 C ATOM 646 CE1 PHE A 750 -4.785 -1.099 4.965 1.00 0.00 C ATOM 647 CE2 PHE A 750 -2.598 -1.345 5.899 1.00 0.00 C ATOM 648 CZ PHE A 750 -3.466 -1.487 4.834 1.00 0.00 C ATOM 0 H PHE A 750 -5.108 0.540 10.957 1.00 0.00 H new ATOM 0 HA PHE A 750 -6.498 -1.102 9.153 1.00 0.00 H new ATOM 0 HB2 PHE A 750 -5.604 0.920 8.326 1.00 0.00 H new ATOM 0 HB3 PHE A 750 -4.031 0.638 9.045 1.00 0.00 H new ATOM 0 HD1 PHE A 750 -6.266 -0.272 6.260 1.00 0.00 H new ATOM 0 HD2 PHE A 750 -2.369 -0.710 7.923 1.00 0.00 H new ATOM 0 HE1 PHE A 750 -5.466 -1.207 4.133 1.00 0.00 H new ATOM 0 HE2 PHE A 750 -1.566 -1.646 5.799 1.00 0.00 H new ATOM 0 HZ PHE A 750 -3.114 -1.901 3.901 1.00 0.00 H new ATOM 658 N ALA A 751 -3.584 -2.245 10.159 1.00 0.00 N ATOM 659 CA ALA A 751 -2.731 -3.427 10.185 1.00 0.00 C ATOM 660 C ALA A 751 -3.510 -4.655 10.646 1.00 0.00 C ATOM 661 O ALA A 751 -3.602 -5.649 9.926 1.00 0.00 O ATOM 662 CB ALA A 751 -1.530 -3.192 11.089 1.00 0.00 C ATOM 0 H ALA A 751 -3.270 -1.485 10.762 1.00 0.00 H new ATOM 0 HA ALA A 751 -2.377 -3.612 9.171 1.00 0.00 H new ATOM 0 HB1 ALA A 751 -0.902 -4.083 11.099 1.00 0.00 H new ATOM 0 HB2 ALA A 751 -0.953 -2.346 10.715 1.00 0.00 H new ATOM 0 HB3 ALA A 751 -1.873 -2.979 12.101 1.00 0.00 H new ATOM 668 N ALA A 752 -4.067 -4.580 11.850 1.00 0.00 N ATOM 669 CA ALA A 752 -4.838 -5.685 12.406 1.00 0.00 C ATOM 670 C ALA A 752 -6.102 -5.936 11.591 1.00 0.00 C ATOM 671 O ALA A 752 -6.384 -7.068 11.196 1.00 0.00 O ATOM 672 CB ALA A 752 -5.191 -5.404 13.859 1.00 0.00 C ATOM 0 H ALA A 752 -3.999 -3.765 12.459 1.00 0.00 H new ATOM 0 HA ALA A 752 -4.223 -6.584 12.361 1.00 0.00 H new ATOM 0 HB1 ALA A 752 -5.767 -6.238 14.261 1.00 0.00 H new ATOM 0 HB2 ALA A 752 -4.276 -5.282 14.439 1.00 0.00 H new ATOM 0 HB3 ALA A 752 -5.784 -4.491 13.919 1.00 0.00 H new ATOM 678 N LYS A 753 -6.861 -4.875 11.343 1.00 0.00 N ATOM 679 CA LYS A 753 -8.096 -4.979 10.575 1.00 0.00 C ATOM 680 C LYS A 753 -7.864 -5.738 9.272 1.00 0.00 C ATOM 681 O LYS A 753 -8.678 -6.572 8.874 1.00 0.00 O ATOM 682 CB LYS A 753 -8.653 -3.586 10.274 1.00 0.00 C ATOM 683 CG LYS A 753 -9.409 -2.968 11.438 1.00 0.00 C ATOM 684 CD LYS A 753 -10.385 -1.904 10.967 1.00 0.00 C ATOM 685 CE LYS A 753 -11.671 -2.521 10.439 1.00 0.00 C ATOM 686 NZ LYS A 753 -12.480 -1.540 9.665 1.00 0.00 N ATOM 0 H LYS A 753 -6.642 -3.932 11.663 1.00 0.00 H new ATOM 0 HA LYS A 753 -8.821 -5.532 11.173 1.00 0.00 H new ATOM 0 HB2 LYS A 753 -7.830 -2.927 9.995 1.00 0.00 H new ATOM 0 HB3 LYS A 753 -9.317 -3.648 9.412 1.00 0.00 H new ATOM 0 HG2 LYS A 753 -9.950 -3.747 11.976 1.00 0.00 H new ATOM 0 HG3 LYS A 753 -8.701 -2.528 12.140 1.00 0.00 H new ATOM 0 HD2 LYS A 753 -10.616 -1.230 11.792 1.00 0.00 H new ATOM 0 HD3 LYS A 753 -9.921 -1.303 10.185 1.00 0.00 H new ATOM 0 HE2 LYS A 753 -11.431 -3.374 9.805 1.00 0.00 H new ATOM 0 HE3 LYS A 753 -12.261 -2.900 11.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 753 -13.348 -1.999 9.322 1.00 0.00 H new ATOM 0 HZ2 LYS A 753 -12.731 -0.738 10.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 753 -11.927 -1.197 8.854 1.00 0.00 H new ATOM 700 N HIS A 754 -6.747 -5.444 8.612 1.00 0.00 N ATOM 701 CA HIS A 754 -6.407 -6.100 7.355 1.00 0.00 C ATOM 702 C HIS A 754 -5.115 -6.900 7.492 1.00 0.00 C ATOM 703 O HIS A 754 -4.286 -6.917 6.583 1.00 0.00 O ATOM 704 CB HIS A 754 -6.265 -5.066 6.238 1.00 0.00 C ATOM 705 CG HIS A 754 -7.575 -4.610 5.673 1.00 0.00 C ATOM 706 ND1 HIS A 754 -7.948 -4.831 4.364 1.00 0.00 N ATOM 707 CD2 HIS A 754 -8.603 -3.943 6.249 1.00 0.00 C ATOM 708 CE1 HIS A 754 -9.148 -4.318 4.159 1.00 0.00 C ATOM 709 NE2 HIS A 754 -9.568 -3.774 5.287 1.00 0.00 N ATOM 0 H HIS A 754 -6.063 -4.756 8.927 1.00 0.00 H new ATOM 0 HA HIS A 754 -7.214 -6.788 7.102 1.00 0.00 H new ATOM 0 HB2 HIS A 754 -5.724 -4.201 6.621 1.00 0.00 H new ATOM 0 HB3 HIS A 754 -5.661 -5.490 5.436 1.00 0.00 H new ATOM 0 HD2 HIS A 754 -8.654 -3.607 7.274 1.00 0.00 H new ATOM 0 HE1 HIS A 754 -9.693 -4.340 3.227 1.00 0.00 H new ATOM 0 HE2 HIS A 754 -10.464 -3.305 5.422 1.00 0.00 H new ATOM 717 N ALA A 755 -4.951 -7.559 8.634 1.00 0.00 N ATOM 718 CA ALA A 755 -3.761 -8.361 8.889 1.00 0.00 C ATOM 719 C ALA A 755 -3.987 -9.818 8.500 1.00 0.00 C ATOM 720 O ALA A 755 -3.055 -10.516 8.100 1.00 0.00 O ATOM 721 CB ALA A 755 -3.360 -8.260 10.353 1.00 0.00 C ATOM 0 H ALA A 755 -5.627 -7.553 9.397 1.00 0.00 H new ATOM 0 HA ALA A 755 -2.951 -7.969 8.274 1.00 0.00 H new ATOM 0 HB1 ALA A 755 -2.470 -8.864 10.529 1.00 0.00 H new ATOM 0 HB2 ALA A 755 -3.148 -7.220 10.601 1.00 0.00 H new ATOM 0 HB3 ALA A 755 -4.175 -8.624 10.979 1.00 0.00 H new ATOM 727 N LYS A 756 -5.230 -10.272 8.620 1.00 0.00 N ATOM 728 CA LYS A 756 -5.579 -11.646 8.280 1.00 0.00 C ATOM 729 C LYS A 756 -5.508 -11.869 6.773 1.00 0.00 C ATOM 730 O LYS A 756 -5.439 -13.006 6.307 1.00 0.00 O ATOM 731 CB LYS A 756 -6.984 -11.977 8.790 1.00 0.00 C ATOM 732 CG LYS A 756 -7.137 -11.823 10.294 1.00 0.00 C ATOM 733 CD LYS A 756 -8.599 -11.740 10.699 1.00 0.00 C ATOM 734 CE LYS A 756 -9.155 -10.339 10.497 1.00 0.00 C ATOM 735 NZ LYS A 756 -10.603 -10.262 10.836 1.00 0.00 N ATOM 0 H LYS A 756 -6.013 -9.708 8.950 1.00 0.00 H new ATOM 0 HA LYS A 756 -4.858 -12.308 8.761 1.00 0.00 H new ATOM 0 HB2 LYS A 756 -7.705 -11.329 8.292 1.00 0.00 H new ATOM 0 HB3 LYS A 756 -7.231 -13.001 8.511 1.00 0.00 H new ATOM 0 HG2 LYS A 756 -6.666 -12.668 10.797 1.00 0.00 H new ATOM 0 HG3 LYS A 756 -6.615 -10.925 10.624 1.00 0.00 H new ATOM 0 HD2 LYS A 756 -9.181 -12.451 10.113 1.00 0.00 H new ATOM 0 HD3 LYS A 756 -8.705 -12.027 11.745 1.00 0.00 H new ATOM 0 HE2 LYS A 756 -8.599 -9.635 11.116 1.00 0.00 H new ATOM 0 HE3 LYS A 756 -9.008 -10.036 9.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 756 -10.944 -9.291 10.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 756 -11.137 -10.915 10.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 756 -10.741 -10.526 11.832 1.00 0.00 H new ATOM 749 N ASP A 757 -5.525 -10.777 6.017 1.00 0.00 N ATOM 750 CA ASP A 757 -5.460 -10.853 4.562 1.00 0.00 C ATOM 751 C ASP A 757 -4.111 -11.401 4.107 1.00 0.00 C ATOM 752 O ASP A 757 -3.092 -10.715 4.186 1.00 0.00 O ATOM 753 CB ASP A 757 -5.698 -9.474 3.946 1.00 0.00 C ATOM 754 CG ASP A 757 -6.099 -9.553 2.486 1.00 0.00 C ATOM 755 OD1 ASP A 757 -5.201 -9.701 1.631 1.00 0.00 O ATOM 756 OD2 ASP A 757 -7.311 -9.467 2.199 1.00 0.00 O ATOM 0 H ASP A 757 -5.583 -9.828 6.387 1.00 0.00 H new ATOM 0 HA ASP A 757 -6.242 -11.533 4.223 1.00 0.00 H new ATOM 0 HB2 ASP A 757 -6.478 -8.959 4.507 1.00 0.00 H new ATOM 0 HB3 ASP A 757 -4.791 -8.876 4.039 1.00 0.00 H new ATOM 761 N SER A 758 -4.112 -12.642 3.630 1.00 0.00 N ATOM 762 CA SER A 758 -2.888 -13.284 3.166 1.00 0.00 C ATOM 763 C SER A 758 -1.962 -12.271 2.500 1.00 0.00 C ATOM 764 O SER A 758 -0.835 -12.056 2.947 1.00 0.00 O ATOM 765 CB SER A 758 -3.218 -14.411 2.186 1.00 0.00 C ATOM 766 OG SER A 758 -4.097 -15.355 2.772 1.00 0.00 O ATOM 0 H SER A 758 -4.947 -13.223 3.555 1.00 0.00 H new ATOM 0 HA SER A 758 -2.376 -13.703 4.032 1.00 0.00 H new ATOM 0 HB2 SER A 758 -3.673 -13.994 1.288 1.00 0.00 H new ATOM 0 HB3 SER A 758 -2.299 -14.909 1.876 1.00 0.00 H new ATOM 0 HG SER A 758 -4.294 -16.064 2.125 1.00 0.00 H new ATOM 772 N ARG A 759 -2.446 -11.651 1.429 1.00 0.00 N ATOM 773 CA ARG A 759 -1.662 -10.661 0.700 1.00 0.00 C ATOM 774 C ARG A 759 -0.984 -9.689 1.661 1.00 0.00 C ATOM 775 O ARG A 759 0.228 -9.484 1.601 1.00 0.00 O ATOM 776 CB ARG A 759 -2.554 -9.892 -0.276 1.00 0.00 C ATOM 777 CG ARG A 759 -2.834 -10.643 -1.568 1.00 0.00 C ATOM 778 CD ARG A 759 -4.075 -11.513 -1.448 1.00 0.00 C ATOM 779 NE ARG A 759 -5.269 -10.726 -1.152 1.00 0.00 N ATOM 780 CZ ARG A 759 -6.504 -11.135 -1.422 1.00 0.00 C ATOM 781 NH1 ARG A 759 -6.706 -12.316 -1.990 1.00 0.00 N ATOM 782 NH2 ARG A 759 -7.540 -10.361 -1.123 1.00 0.00 N ATOM 0 H ARG A 759 -3.377 -11.817 1.047 1.00 0.00 H new ATOM 0 HA ARG A 759 -0.890 -11.187 0.139 1.00 0.00 H new ATOM 0 HB2 ARG A 759 -3.501 -9.663 0.214 1.00 0.00 H new ATOM 0 HB3 ARG A 759 -2.080 -8.940 -0.515 1.00 0.00 H new ATOM 0 HG2 ARG A 759 -2.965 -9.931 -2.383 1.00 0.00 H new ATOM 0 HG3 ARG A 759 -1.976 -11.265 -1.822 1.00 0.00 H new ATOM 0 HD2 ARG A 759 -4.224 -12.062 -2.378 1.00 0.00 H new ATOM 0 HD3 ARG A 759 -3.924 -12.253 -0.662 1.00 0.00 H new ATOM 0 HE ARG A 759 -5.148 -9.813 -0.714 1.00 0.00 H new ATOM 0 HH11 ARG A 759 -5.912 -12.913 -2.221 1.00 0.00 H new ATOM 0 HH12 ARG A 759 -7.655 -12.627 -2.196 1.00 0.00 H new ATOM 0 HH21 ARG A 759 -7.388 -9.452 -0.686 1.00 0.00 H new ATOM 0 HH22 ARG A 759 -8.488 -10.675 -1.330 1.00 0.00 H new ATOM 796 N PHE A 760 -1.776 -9.091 2.546 1.00 0.00 N ATOM 797 CA PHE A 760 -1.253 -8.139 3.519 1.00 0.00 C ATOM 798 C PHE A 760 -0.071 -8.733 4.280 1.00 0.00 C ATOM 799 O PHE A 760 0.936 -8.063 4.508 1.00 0.00 O ATOM 800 CB PHE A 760 -2.351 -7.726 4.501 1.00 0.00 C ATOM 801 CG PHE A 760 -1.823 -7.150 5.783 1.00 0.00 C ATOM 802 CD1 PHE A 760 -1.187 -7.958 6.711 1.00 0.00 C ATOM 803 CD2 PHE A 760 -1.963 -5.799 6.061 1.00 0.00 C ATOM 804 CE1 PHE A 760 -0.699 -7.431 7.892 1.00 0.00 C ATOM 805 CE2 PHE A 760 -1.477 -5.266 7.240 1.00 0.00 C ATOM 806 CZ PHE A 760 -0.846 -6.083 8.157 1.00 0.00 C ATOM 0 H PHE A 760 -2.782 -9.249 2.609 1.00 0.00 H new ATOM 0 HA PHE A 760 -0.908 -7.257 2.979 1.00 0.00 H new ATOM 0 HB2 PHE A 760 -2.999 -6.992 4.022 1.00 0.00 H new ATOM 0 HB3 PHE A 760 -2.968 -8.595 4.729 1.00 0.00 H new ATOM 0 HD1 PHE A 760 -1.071 -9.013 6.509 1.00 0.00 H new ATOM 0 HD2 PHE A 760 -2.457 -5.156 5.348 1.00 0.00 H new ATOM 0 HE1 PHE A 760 -0.204 -8.072 8.606 1.00 0.00 H new ATOM 0 HE2 PHE A 760 -1.591 -4.212 7.444 1.00 0.00 H new ATOM 0 HZ PHE A 760 -0.468 -5.669 9.080 1.00 0.00 H new ATOM 816 N LYS A 761 -0.203 -9.996 4.672 1.00 0.00 N ATOM 817 CA LYS A 761 0.853 -10.683 5.408 1.00 0.00 C ATOM 818 C LYS A 761 2.177 -10.611 4.654 1.00 0.00 C ATOM 819 O LYS A 761 3.247 -10.589 5.261 1.00 0.00 O ATOM 820 CB LYS A 761 0.468 -12.145 5.646 1.00 0.00 C ATOM 821 CG LYS A 761 -0.839 -12.315 6.400 1.00 0.00 C ATOM 822 CD LYS A 761 -0.841 -13.586 7.232 1.00 0.00 C ATOM 823 CE LYS A 761 -1.091 -14.815 6.371 1.00 0.00 C ATOM 824 NZ LYS A 761 -1.343 -16.029 7.197 1.00 0.00 N ATOM 0 H LYS A 761 -1.030 -10.565 4.493 1.00 0.00 H new ATOM 0 HA LYS A 761 0.975 -10.184 6.370 1.00 0.00 H new ATOM 0 HB2 LYS A 761 0.392 -12.653 4.685 1.00 0.00 H new ATOM 0 HB3 LYS A 761 1.266 -12.636 6.203 1.00 0.00 H new ATOM 0 HG2 LYS A 761 -1.001 -11.454 7.049 1.00 0.00 H new ATOM 0 HG3 LYS A 761 -1.668 -12.341 5.692 1.00 0.00 H new ATOM 0 HD2 LYS A 761 0.115 -13.688 7.745 1.00 0.00 H new ATOM 0 HD3 LYS A 761 -1.610 -13.517 8.002 1.00 0.00 H new ATOM 0 HE2 LYS A 761 -1.947 -14.635 5.720 1.00 0.00 H new ATOM 0 HE3 LYS A 761 -0.230 -14.987 5.725 1.00 0.00 H new ATOM 0 HZ1 LYS A 761 -1.509 -16.845 6.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 761 -0.517 -16.216 7.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 761 -2.180 -15.875 7.795 1.00 0.00 H new ATOM 838 N ALA A 762 2.096 -10.572 3.328 1.00 0.00 N ATOM 839 CA ALA A 762 3.288 -10.498 2.492 1.00 0.00 C ATOM 840 C ALA A 762 4.292 -9.497 3.054 1.00 0.00 C ATOM 841 O ALA A 762 5.491 -9.772 3.111 1.00 0.00 O ATOM 842 CB ALA A 762 2.910 -10.126 1.066 1.00 0.00 C ATOM 0 H ALA A 762 1.218 -10.590 2.810 1.00 0.00 H new ATOM 0 HA ALA A 762 3.759 -11.481 2.487 1.00 0.00 H new ATOM 0 HB1 ALA A 762 3.810 -10.074 0.453 1.00 0.00 H new ATOM 0 HB2 ALA A 762 2.237 -10.881 0.659 1.00 0.00 H new ATOM 0 HB3 ALA A 762 2.412 -9.156 1.063 1.00 0.00 H new ATOM 848 N ILE A 763 3.795 -8.337 3.467 1.00 0.00 N ATOM 849 CA ILE A 763 4.649 -7.295 4.025 1.00 0.00 C ATOM 850 C ILE A 763 4.990 -7.586 5.483 1.00 0.00 C ATOM 851 O ILE A 763 4.110 -7.613 6.342 1.00 0.00 O ATOM 852 CB ILE A 763 3.981 -5.910 3.933 1.00 0.00 C ATOM 853 CG1 ILE A 763 3.597 -5.601 2.484 1.00 0.00 C ATOM 854 CG2 ILE A 763 4.911 -4.837 4.480 1.00 0.00 C ATOM 855 CD1 ILE A 763 4.787 -5.406 1.571 1.00 0.00 C ATOM 0 H ILE A 763 2.805 -8.094 3.426 1.00 0.00 H new ATOM 0 HA ILE A 763 5.565 -7.288 3.434 1.00 0.00 H new ATOM 0 HB ILE A 763 3.073 -5.919 4.536 1.00 0.00 H new ATOM 0 HG12 ILE A 763 2.983 -6.415 2.098 1.00 0.00 H new ATOM 0 HG13 ILE A 763 2.983 -4.701 2.464 1.00 0.00 H new ATOM 0 HG21 ILE A 763 4.425 -3.864 4.408 1.00 0.00 H new ATOM 0 HG22 ILE A 763 5.141 -5.052 5.524 1.00 0.00 H new ATOM 0 HG23 ILE A 763 5.834 -4.825 3.900 1.00 0.00 H new ATOM 0 HD11 ILE A 763 4.439 -5.191 0.561 1.00 0.00 H new ATOM 0 HD12 ILE A 763 5.390 -4.573 1.932 1.00 0.00 H new ATOM 0 HD13 ILE A 763 5.391 -6.314 1.561 1.00 0.00 H new ATOM 867 N GLU A 764 6.274 -7.802 5.753 1.00 0.00 N ATOM 868 CA GLU A 764 6.731 -8.090 7.107 1.00 0.00 C ATOM 869 C GLU A 764 7.441 -6.882 7.710 1.00 0.00 C ATOM 870 O GLU A 764 7.015 -6.343 8.732 1.00 0.00 O ATOM 871 CB GLU A 764 7.669 -9.299 7.106 1.00 0.00 C ATOM 872 CG GLU A 764 7.146 -10.475 6.298 1.00 0.00 C ATOM 873 CD GLU A 764 6.293 -11.417 7.125 1.00 0.00 C ATOM 874 OE1 GLU A 764 6.869 -12.244 7.864 1.00 0.00 O ATOM 875 OE2 GLU A 764 5.051 -11.329 7.034 1.00 0.00 O ATOM 0 H GLU A 764 7.015 -7.783 5.052 1.00 0.00 H new ATOM 0 HA GLU A 764 5.857 -8.318 7.717 1.00 0.00 H new ATOM 0 HB2 GLU A 764 8.637 -8.997 6.707 1.00 0.00 H new ATOM 0 HB3 GLU A 764 7.835 -9.621 8.134 1.00 0.00 H new ATOM 0 HG2 GLU A 764 6.559 -10.102 5.458 1.00 0.00 H new ATOM 0 HG3 GLU A 764 7.988 -11.026 5.879 1.00 0.00 H new ATOM 882 N LYS A 765 8.526 -6.460 7.070 1.00 0.00 N ATOM 883 CA LYS A 765 9.296 -5.315 7.541 1.00 0.00 C ATOM 884 C LYS A 765 8.377 -4.156 7.910 1.00 0.00 C ATOM 885 O LYS A 765 7.615 -3.666 7.077 1.00 0.00 O ATOM 886 CB LYS A 765 10.292 -4.869 6.468 1.00 0.00 C ATOM 887 CG LYS A 765 11.240 -5.969 6.022 1.00 0.00 C ATOM 888 CD LYS A 765 12.071 -5.538 4.825 1.00 0.00 C ATOM 889 CE LYS A 765 13.349 -6.355 4.711 1.00 0.00 C ATOM 890 NZ LYS A 765 13.886 -6.352 3.322 1.00 0.00 N ATOM 0 H LYS A 765 8.892 -6.894 6.223 1.00 0.00 H new ATOM 0 HA LYS A 765 9.844 -5.619 8.433 1.00 0.00 H new ATOM 0 HB2 LYS A 765 9.740 -4.503 5.602 1.00 0.00 H new ATOM 0 HB3 LYS A 765 10.875 -4.032 6.851 1.00 0.00 H new ATOM 0 HG2 LYS A 765 11.900 -6.238 6.847 1.00 0.00 H new ATOM 0 HG3 LYS A 765 10.669 -6.862 5.767 1.00 0.00 H new ATOM 0 HD2 LYS A 765 11.484 -5.650 3.914 1.00 0.00 H new ATOM 0 HD3 LYS A 765 12.320 -4.481 4.916 1.00 0.00 H new ATOM 0 HE2 LYS A 765 14.099 -5.953 5.392 1.00 0.00 H new ATOM 0 HE3 LYS A 765 13.153 -7.381 5.023 1.00 0.00 H new ATOM 0 HZ1 LYS A 765 14.757 -6.919 3.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 765 13.180 -6.759 2.676 1.00 0.00 H new ATOM 0 HZ3 LYS A 765 14.097 -5.375 3.033 1.00 0.00 H new ATOM 904 N MET A 766 8.455 -3.721 9.163 1.00 0.00 N ATOM 905 CA MET A 766 7.631 -2.616 9.641 1.00 0.00 C ATOM 906 C MET A 766 7.828 -1.376 8.775 1.00 0.00 C ATOM 907 O MET A 766 6.870 -0.829 8.229 1.00 0.00 O ATOM 908 CB MET A 766 7.969 -2.293 11.098 1.00 0.00 C ATOM 909 CG MET A 766 6.849 -1.578 11.837 1.00 0.00 C ATOM 910 SD MET A 766 6.911 -1.846 13.619 1.00 0.00 S ATOM 911 CE MET A 766 5.338 -1.151 14.120 1.00 0.00 C ATOM 0 H MET A 766 9.080 -4.116 9.866 1.00 0.00 H new ATOM 0 HA MET A 766 6.586 -2.920 9.576 1.00 0.00 H new ATOM 0 HB2 MET A 766 8.205 -3.219 11.622 1.00 0.00 H new ATOM 0 HB3 MET A 766 8.865 -1.673 11.126 1.00 0.00 H new ATOM 0 HG2 MET A 766 6.908 -0.509 11.632 1.00 0.00 H new ATOM 0 HG3 MET A 766 5.888 -1.923 11.455 1.00 0.00 H new ATOM 0 HE1 MET A 766 5.228 -1.242 15.201 1.00 0.00 H new ATOM 0 HE2 MET A 766 5.299 -0.099 13.838 1.00 0.00 H new ATOM 0 HE3 MET A 766 4.529 -1.689 13.626 1.00 0.00 H new ATOM 921 N LYS A 767 9.076 -0.938 8.652 1.00 0.00 N ATOM 922 CA LYS A 767 9.400 0.237 7.852 1.00 0.00 C ATOM 923 C LYS A 767 8.590 0.254 6.559 1.00 0.00 C ATOM 924 O LYS A 767 8.077 1.296 6.151 1.00 0.00 O ATOM 925 CB LYS A 767 10.896 0.264 7.529 1.00 0.00 C ATOM 926 CG LYS A 767 11.760 0.730 8.688 1.00 0.00 C ATOM 927 CD LYS A 767 11.785 2.246 8.789 1.00 0.00 C ATOM 928 CE LYS A 767 12.785 2.853 7.816 1.00 0.00 C ATOM 929 NZ LYS A 767 14.188 2.680 8.284 1.00 0.00 N ATOM 0 H LYS A 767 9.881 -1.380 9.097 1.00 0.00 H new ATOM 0 HA LYS A 767 9.144 1.123 8.433 1.00 0.00 H new ATOM 0 HB2 LYS A 767 11.213 -0.735 7.229 1.00 0.00 H new ATOM 0 HB3 LYS A 767 11.063 0.921 6.675 1.00 0.00 H new ATOM 0 HG2 LYS A 767 11.380 0.308 9.619 1.00 0.00 H new ATOM 0 HG3 LYS A 767 12.776 0.356 8.560 1.00 0.00 H new ATOM 0 HD2 LYS A 767 10.790 2.642 8.584 1.00 0.00 H new ATOM 0 HD3 LYS A 767 12.042 2.540 9.807 1.00 0.00 H new ATOM 0 HE2 LYS A 767 12.668 2.387 6.837 1.00 0.00 H new ATOM 0 HE3 LYS A 767 12.572 3.915 7.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 767 14.827 3.235 7.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 767 14.269 3.010 9.267 1.00 0.00 H new ATOM 0 HZ3 LYS A 767 14.449 1.675 8.233 1.00 0.00 H new ATOM 943 N ASP A 768 8.480 -0.905 5.920 1.00 0.00 N ATOM 944 CA ASP A 768 7.730 -1.023 4.675 1.00 0.00 C ATOM 945 C ASP A 768 6.242 -0.784 4.912 1.00 0.00 C ATOM 946 O ASP A 768 5.611 0.007 4.210 1.00 0.00 O ATOM 947 CB ASP A 768 7.944 -2.405 4.055 1.00 0.00 C ATOM 948 CG ASP A 768 9.291 -2.530 3.371 1.00 0.00 C ATOM 949 OD1 ASP A 768 9.614 -1.662 2.532 1.00 0.00 O ATOM 950 OD2 ASP A 768 10.024 -3.494 3.675 1.00 0.00 O ATOM 0 H ASP A 768 8.901 -1.776 6.243 1.00 0.00 H new ATOM 0 HA ASP A 768 8.097 -0.263 3.985 1.00 0.00 H new ATOM 0 HB2 ASP A 768 7.862 -3.165 4.832 1.00 0.00 H new ATOM 0 HB3 ASP A 768 7.153 -2.602 3.332 1.00 0.00 H new ATOM 955 N ARG A 769 5.687 -1.473 5.904 1.00 0.00 N ATOM 956 CA ARG A 769 4.273 -1.337 6.231 1.00 0.00 C ATOM 957 C ARG A 769 3.892 0.132 6.394 1.00 0.00 C ATOM 958 O ARG A 769 2.970 0.619 5.742 1.00 0.00 O ATOM 959 CB ARG A 769 3.949 -2.105 7.514 1.00 0.00 C ATOM 960 CG ARG A 769 4.009 -3.615 7.352 1.00 0.00 C ATOM 961 CD ARG A 769 4.105 -4.316 8.697 1.00 0.00 C ATOM 962 NE ARG A 769 2.792 -4.510 9.308 1.00 0.00 N ATOM 963 CZ ARG A 769 2.617 -4.924 10.558 1.00 0.00 C ATOM 964 NH1 ARG A 769 3.665 -5.185 11.326 1.00 0.00 N ATOM 965 NH2 ARG A 769 1.391 -5.076 11.042 1.00 0.00 N ATOM 0 H ARG A 769 6.195 -2.131 6.495 1.00 0.00 H new ATOM 0 HA ARG A 769 3.693 -1.756 5.409 1.00 0.00 H new ATOM 0 HB2 ARG A 769 4.648 -1.804 8.294 1.00 0.00 H new ATOM 0 HB3 ARG A 769 2.952 -1.824 7.854 1.00 0.00 H new ATOM 0 HG2 ARG A 769 3.121 -3.961 6.823 1.00 0.00 H new ATOM 0 HG3 ARG A 769 4.870 -3.882 6.739 1.00 0.00 H new ATOM 0 HD2 ARG A 769 4.591 -5.283 8.568 1.00 0.00 H new ATOM 0 HD3 ARG A 769 4.734 -3.730 9.367 1.00 0.00 H new ATOM 0 HE ARG A 769 1.964 -4.317 8.744 1.00 0.00 H new ATOM 0 HH11 ARG A 769 4.609 -5.068 10.958 1.00 0.00 H new ATOM 0 HH12 ARG A 769 3.528 -5.503 12.285 1.00 0.00 H new ATOM 0 HH21 ARG A 769 0.582 -4.875 10.454 1.00 0.00 H new ATOM 0 HH22 ARG A 769 1.257 -5.394 12.002 1.00 0.00 H new ATOM 979 N GLU A 770 4.608 0.830 7.270 1.00 0.00 N ATOM 980 CA GLU A 770 4.343 2.242 7.519 1.00 0.00 C ATOM 981 C GLU A 770 4.613 3.075 6.270 1.00 0.00 C ATOM 982 O GLU A 770 3.867 4.002 5.956 1.00 0.00 O ATOM 983 CB GLU A 770 5.204 2.748 8.679 1.00 0.00 C ATOM 984 CG GLU A 770 4.564 3.882 9.462 1.00 0.00 C ATOM 985 CD GLU A 770 5.310 4.200 10.743 1.00 0.00 C ATOM 986 OE1 GLU A 770 6.547 4.360 10.686 1.00 0.00 O ATOM 987 OE2 GLU A 770 4.655 4.289 11.803 1.00 0.00 O ATOM 0 H GLU A 770 5.375 0.441 7.818 1.00 0.00 H new ATOM 0 HA GLU A 770 3.291 2.347 7.784 1.00 0.00 H new ATOM 0 HB2 GLU A 770 5.408 1.919 9.357 1.00 0.00 H new ATOM 0 HB3 GLU A 770 6.164 3.084 8.288 1.00 0.00 H new ATOM 0 HG2 GLU A 770 4.526 4.774 8.837 1.00 0.00 H new ATOM 0 HG3 GLU A 770 3.534 3.617 9.702 1.00 0.00 H new ATOM 994 N ALA A 771 5.685 2.737 5.561 1.00 0.00 N ATOM 995 CA ALA A 771 6.053 3.452 4.345 1.00 0.00 C ATOM 996 C ALA A 771 4.919 3.420 3.325 1.00 0.00 C ATOM 997 O ALA A 771 4.297 4.445 3.040 1.00 0.00 O ATOM 998 CB ALA A 771 7.320 2.859 3.747 1.00 0.00 C ATOM 0 H ALA A 771 6.314 1.973 5.808 1.00 0.00 H new ATOM 0 HA ALA A 771 6.241 4.493 4.608 1.00 0.00 H new ATOM 0 HB1 ALA A 771 7.583 3.403 2.840 1.00 0.00 H new ATOM 0 HB2 ALA A 771 8.134 2.939 4.467 1.00 0.00 H new ATOM 0 HB3 ALA A 771 7.152 1.810 3.505 1.00 0.00 H new ATOM 1004 N LEU A 772 4.656 2.239 2.777 1.00 0.00 N ATOM 1005 CA LEU A 772 3.597 2.074 1.787 1.00 0.00 C ATOM 1006 C LEU A 772 2.304 2.732 2.258 1.00 0.00 C ATOM 1007 O LEU A 772 1.744 3.586 1.570 1.00 0.00 O ATOM 1008 CB LEU A 772 3.355 0.588 1.513 1.00 0.00 C ATOM 1009 CG LEU A 772 4.464 -0.143 0.755 1.00 0.00 C ATOM 1010 CD1 LEU A 772 4.332 -1.647 0.936 1.00 0.00 C ATOM 1011 CD2 LEU A 772 4.432 0.223 -0.722 1.00 0.00 C ATOM 0 H LEU A 772 5.161 1.382 3.001 1.00 0.00 H new ATOM 0 HA LEU A 772 3.916 2.560 0.865 1.00 0.00 H new ATOM 0 HB2 LEU A 772 3.201 0.083 2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 772 2.429 0.489 0.947 1.00 0.00 H new ATOM 0 HG LEU A 772 5.424 0.169 1.165 1.00 0.00 H new ATOM 0 HD11 LEU A 772 5.129 -2.151 0.390 1.00 0.00 H new ATOM 0 HD12 LEU A 772 4.406 -1.894 1.995 1.00 0.00 H new ATOM 0 HD13 LEU A 772 3.366 -1.976 0.553 1.00 0.00 H new ATOM 0 HD21 LEU A 772 5.228 -0.306 -1.245 1.00 0.00 H new ATOM 0 HD22 LEU A 772 3.468 -0.060 -1.146 1.00 0.00 H new ATOM 0 HD23 LEU A 772 4.577 1.298 -0.834 1.00 0.00 H new ATOM 1023 N PHE A 773 1.837 2.332 3.435 1.00 0.00 N ATOM 1024 CA PHE A 773 0.610 2.884 3.999 1.00 0.00 C ATOM 1025 C PHE A 773 0.659 4.409 4.020 1.00 0.00 C ATOM 1026 O PHE A 773 -0.323 5.076 3.699 1.00 0.00 O ATOM 1027 CB PHE A 773 0.390 2.350 5.416 1.00 0.00 C ATOM 1028 CG PHE A 773 -0.854 2.880 6.070 1.00 0.00 C ATOM 1029 CD1 PHE A 773 -2.086 2.294 5.824 1.00 0.00 C ATOM 1030 CD2 PHE A 773 -0.793 3.964 6.930 1.00 0.00 C ATOM 1031 CE1 PHE A 773 -3.232 2.781 6.423 1.00 0.00 C ATOM 1032 CE2 PHE A 773 -1.936 4.455 7.533 1.00 0.00 C ATOM 1033 CZ PHE A 773 -3.157 3.862 7.280 1.00 0.00 C ATOM 0 H PHE A 773 2.289 1.627 4.018 1.00 0.00 H new ATOM 0 HA PHE A 773 -0.222 2.574 3.368 1.00 0.00 H new ATOM 0 HB2 PHE A 773 0.337 1.262 5.381 1.00 0.00 H new ATOM 0 HB3 PHE A 773 1.252 2.608 6.031 1.00 0.00 H new ATOM 0 HD1 PHE A 773 -2.151 1.447 5.157 1.00 0.00 H new ATOM 0 HD2 PHE A 773 0.159 4.431 7.132 1.00 0.00 H new ATOM 0 HE1 PHE A 773 -4.186 2.317 6.221 1.00 0.00 H new ATOM 0 HE2 PHE A 773 -1.874 5.301 8.201 1.00 0.00 H new ATOM 0 HZ PHE A 773 -4.051 4.242 7.751 1.00 0.00 H new ATOM 1043 N ASN A 774 1.811 4.952 4.401 1.00 0.00 N ATOM 1044 CA ASN A 774 1.989 6.399 4.465 1.00 0.00 C ATOM 1045 C ASN A 774 1.752 7.037 3.100 1.00 0.00 C ATOM 1046 O ASN A 774 1.105 8.078 2.995 1.00 0.00 O ATOM 1047 CB ASN A 774 3.395 6.739 4.962 1.00 0.00 C ATOM 1048 CG ASN A 774 3.463 6.848 6.473 1.00 0.00 C ATOM 1049 OD1 ASN A 774 2.495 7.244 7.123 1.00 0.00 O ATOM 1050 ND2 ASN A 774 4.611 6.495 7.041 1.00 0.00 N ATOM 0 H ASN A 774 2.634 4.413 4.670 1.00 0.00 H new ATOM 0 HA ASN A 774 1.256 6.800 5.166 1.00 0.00 H new ATOM 0 HB2 ASN A 774 4.092 5.972 4.624 1.00 0.00 H new ATOM 0 HB3 ASN A 774 3.717 7.681 4.518 1.00 0.00 H new ATOM 0 HD21 ASN A 774 4.716 6.547 8.054 1.00 0.00 H new ATOM 0 HD22 ASN A 774 5.388 6.172 6.464 1.00 0.00 H new ATOM 1057 N GLU A 775 2.281 6.404 2.057 1.00 0.00 N ATOM 1058 CA GLU A 775 2.127 6.911 0.698 1.00 0.00 C ATOM 1059 C GLU A 775 0.664 6.869 0.264 1.00 0.00 C ATOM 1060 O GLU A 775 0.090 7.887 -0.121 1.00 0.00 O ATOM 1061 CB GLU A 775 2.982 6.095 -0.274 1.00 0.00 C ATOM 1062 CG GLU A 775 4.425 5.933 0.173 1.00 0.00 C ATOM 1063 CD GLU A 775 5.378 5.733 -0.990 1.00 0.00 C ATOM 1064 OE1 GLU A 775 5.246 4.713 -1.696 1.00 0.00 O ATOM 1065 OE2 GLU A 775 6.255 6.599 -1.193 1.00 0.00 O ATOM 0 H GLU A 775 2.819 5.540 2.127 1.00 0.00 H new ATOM 0 HA GLU A 775 2.463 7.948 0.684 1.00 0.00 H new ATOM 0 HB2 GLU A 775 2.536 5.108 -0.397 1.00 0.00 H new ATOM 0 HB3 GLU A 775 2.965 6.577 -1.252 1.00 0.00 H new ATOM 0 HG2 GLU A 775 4.727 6.815 0.738 1.00 0.00 H new ATOM 0 HG3 GLU A 775 4.499 5.081 0.849 1.00 0.00 H new ATOM 1072 N PHE A 776 0.068 5.683 0.330 1.00 0.00 N ATOM 1073 CA PHE A 776 -1.327 5.507 -0.058 1.00 0.00 C ATOM 1074 C PHE A 776 -2.211 6.564 0.598 1.00 0.00 C ATOM 1075 O PHE A 776 -2.865 7.353 -0.084 1.00 0.00 O ATOM 1076 CB PHE A 776 -1.813 4.108 0.329 1.00 0.00 C ATOM 1077 CG PHE A 776 -3.238 3.840 -0.061 1.00 0.00 C ATOM 1078 CD1 PHE A 776 -4.277 4.535 0.538 1.00 0.00 C ATOM 1079 CD2 PHE A 776 -3.540 2.893 -1.026 1.00 0.00 C ATOM 1080 CE1 PHE A 776 -5.589 4.290 0.182 1.00 0.00 C ATOM 1081 CE2 PHE A 776 -4.851 2.644 -1.387 1.00 0.00 C ATOM 1082 CZ PHE A 776 -5.877 3.344 -0.782 1.00 0.00 C ATOM 0 H PHE A 776 0.529 4.830 0.648 1.00 0.00 H new ATOM 0 HA PHE A 776 -1.395 5.622 -1.140 1.00 0.00 H new ATOM 0 HB2 PHE A 776 -1.170 3.365 -0.143 1.00 0.00 H new ATOM 0 HB3 PHE A 776 -1.710 3.981 1.407 1.00 0.00 H new ATOM 0 HD1 PHE A 776 -4.058 5.277 1.292 1.00 0.00 H new ATOM 0 HD2 PHE A 776 -2.742 2.343 -1.502 1.00 0.00 H new ATOM 0 HE1 PHE A 776 -6.389 4.838 0.657 1.00 0.00 H new ATOM 0 HE2 PHE A 776 -5.073 1.903 -2.141 1.00 0.00 H new ATOM 0 HZ PHE A 776 -6.902 3.152 -1.062 1.00 0.00 H new ATOM 1092 N VAL A 777 -2.227 6.572 1.927 1.00 0.00 N ATOM 1093 CA VAL A 777 -3.029 7.531 2.677 1.00 0.00 C ATOM 1094 C VAL A 777 -2.651 8.964 2.318 1.00 0.00 C ATOM 1095 O VAL A 777 -3.510 9.841 2.237 1.00 0.00 O ATOM 1096 CB VAL A 777 -2.867 7.334 4.195 1.00 0.00 C ATOM 1097 CG1 VAL A 777 -3.188 5.899 4.585 1.00 0.00 C ATOM 1098 CG2 VAL A 777 -1.460 7.712 4.634 1.00 0.00 C ATOM 0 H VAL A 777 -1.693 5.925 2.507 1.00 0.00 H new ATOM 0 HA VAL A 777 -4.069 7.354 2.405 1.00 0.00 H new ATOM 0 HB VAL A 777 -3.571 7.990 4.706 1.00 0.00 H new ATOM 0 HG11 VAL A 777 -3.068 5.779 5.662 1.00 0.00 H new ATOM 0 HG12 VAL A 777 -4.216 5.668 4.307 1.00 0.00 H new ATOM 0 HG13 VAL A 777 -2.510 5.221 4.067 1.00 0.00 H new ATOM 0 HG21 VAL A 777 -1.363 7.567 5.710 1.00 0.00 H new ATOM 0 HG22 VAL A 777 -0.736 7.083 4.116 1.00 0.00 H new ATOM 0 HG23 VAL A 777 -1.272 8.758 4.391 1.00 0.00 H new ATOM 1108 N ALA A 778 -1.360 9.193 2.103 1.00 0.00 N ATOM 1109 CA ALA A 778 -0.867 10.518 1.750 1.00 0.00 C ATOM 1110 C ALA A 778 -1.606 11.074 0.537 1.00 0.00 C ATOM 1111 O ALA A 778 -1.936 12.258 0.488 1.00 0.00 O ATOM 1112 CB ALA A 778 0.630 10.471 1.482 1.00 0.00 C ATOM 0 H ALA A 778 -0.636 8.477 2.167 1.00 0.00 H new ATOM 0 HA ALA A 778 -1.053 11.184 2.593 1.00 0.00 H new ATOM 0 HB1 ALA A 778 0.984 11.468 1.219 1.00 0.00 H new ATOM 0 HB2 ALA A 778 1.149 10.125 2.376 1.00 0.00 H new ATOM 0 HB3 ALA A 778 0.831 9.786 0.658 1.00 0.00 H new ATOM 1118 N ALA A 779 -1.863 10.210 -0.440 1.00 0.00 N ATOM 1119 CA ALA A 779 -2.565 10.615 -1.652 1.00 0.00 C ATOM 1120 C ALA A 779 -4.076 10.548 -1.460 1.00 0.00 C ATOM 1121 O ALA A 779 -4.792 11.500 -1.766 1.00 0.00 O ATOM 1122 CB ALA A 779 -2.141 9.741 -2.823 1.00 0.00 C ATOM 0 H ALA A 779 -1.596 9.226 -0.416 1.00 0.00 H new ATOM 0 HA ALA A 779 -2.298 11.649 -1.869 1.00 0.00 H new ATOM 0 HB1 ALA A 779 -2.673 10.054 -3.722 1.00 0.00 H new ATOM 0 HB2 ALA A 779 -1.067 9.842 -2.983 1.00 0.00 H new ATOM 0 HB3 ALA A 779 -2.379 8.700 -2.605 1.00 0.00 H new ATOM 1128 N ALA A 780 -4.554 9.417 -0.951 1.00 0.00 N ATOM 1129 CA ALA A 780 -5.980 9.228 -0.717 1.00 0.00 C ATOM 1130 C ALA A 780 -6.591 10.447 -0.034 1.00 0.00 C ATOM 1131 O ALA A 780 -7.606 10.978 -0.484 1.00 0.00 O ATOM 1132 CB ALA A 780 -6.216 7.978 0.119 1.00 0.00 C ATOM 0 H ALA A 780 -3.975 8.618 -0.693 1.00 0.00 H new ATOM 0 HA ALA A 780 -6.468 9.103 -1.683 1.00 0.00 H new ATOM 0 HB1 ALA A 780 -7.285 7.849 0.286 1.00 0.00 H new ATOM 0 HB2 ALA A 780 -5.823 7.108 -0.408 1.00 0.00 H new ATOM 0 HB3 ALA A 780 -5.708 8.081 1.078 1.00 0.00 H new ATOM 1138 N ARG A 781 -5.967 10.884 1.055 1.00 0.00 N ATOM 1139 CA ARG A 781 -6.451 12.039 1.801 1.00 0.00 C ATOM 1140 C ARG A 781 -6.591 13.255 0.890 1.00 0.00 C ATOM 1141 O ARG A 781 -5.902 13.367 -0.125 1.00 0.00 O ATOM 1142 CB ARG A 781 -5.502 12.361 2.957 1.00 0.00 C ATOM 1143 CG ARG A 781 -4.138 12.855 2.504 1.00 0.00 C ATOM 1144 CD ARG A 781 -3.081 12.629 3.574 1.00 0.00 C ATOM 1145 NE ARG A 781 -1.910 13.479 3.375 1.00 0.00 N ATOM 1146 CZ ARG A 781 -1.921 14.797 3.541 1.00 0.00 C ATOM 1147 NH1 ARG A 781 -3.037 15.412 3.908 1.00 0.00 N ATOM 1148 NH2 ARG A 781 -0.815 15.502 3.341 1.00 0.00 N ATOM 0 H ARG A 781 -5.125 10.456 1.440 1.00 0.00 H new ATOM 0 HA ARG A 781 -7.433 11.793 2.204 1.00 0.00 H new ATOM 0 HB2 ARG A 781 -5.961 13.118 3.593 1.00 0.00 H new ATOM 0 HB3 ARG A 781 -5.371 11.468 3.568 1.00 0.00 H new ATOM 0 HG2 ARG A 781 -3.848 12.338 1.589 1.00 0.00 H new ATOM 0 HG3 ARG A 781 -4.195 13.917 2.266 1.00 0.00 H new ATOM 0 HD2 ARG A 781 -3.511 12.828 4.556 1.00 0.00 H new ATOM 0 HD3 ARG A 781 -2.775 11.583 3.566 1.00 0.00 H new ATOM 0 HE ARG A 781 -1.035 13.036 3.093 1.00 0.00 H new ATOM 0 HH11 ARG A 781 -3.889 14.873 4.063 1.00 0.00 H new ATOM 0 HH12 ARG A 781 -3.044 16.424 4.035 1.00 0.00 H new ATOM 0 HH21 ARG A 781 0.045 15.032 3.059 1.00 0.00 H new ATOM 0 HH22 ARG A 781 -0.825 16.514 3.469 1.00 0.00 H new