USER MOD reduce.3.24.130724 H: found=0, std=0, add=470, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 470 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 726 MET CE :methyl 158:sc= -0.0902 (180deg=-0.496) USER MOD Single : A 727 GLN : amide:sc= -0.657 K(o=-0.66,f=-0.043) USER MOD Single : A 729 LYS NZ :NH3+ 157:sc= 0.312 (180deg=-0.295) USER MOD Single : A 733 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.044) USER MOD Single : A 734 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 735 MET CE :methyl -141:sc= -7.03! (180deg=-9.02!) USER MOD Single : A 736 MET CE :methyl -164:sc= -0.677 (180deg=-1.24) 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= -0.203 USER MOD Single : A 748 SER OG : rot 180:sc= 0 USER MOD Single : A 753 LYS NZ :NH3+ -168:sc=-0.000906 (180deg=-0.101) 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+ 176:sc= 0 (180deg=-0.037) 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= -1.07 K(o=-1.1,f=-2.2!) USER MOD ----------------------------------------------------------------- ATOM 224 N ILE A 725 9.982 -8.868 -3.422 1.00 0.00 N ATOM 225 CA ILE A 725 9.649 -7.476 -3.148 1.00 0.00 C ATOM 226 C ILE A 725 8.518 -6.993 -4.049 1.00 0.00 C ATOM 227 O ILE A 725 7.530 -6.432 -3.576 1.00 0.00 O ATOM 228 CB ILE A 725 10.870 -6.557 -3.339 1.00 0.00 C ATOM 229 CG1 ILE A 725 11.992 -6.957 -2.378 1.00 0.00 C ATOM 230 CG2 ILE A 725 10.477 -5.103 -3.126 1.00 0.00 C ATOM 231 CD1 ILE A 725 13.367 -6.535 -2.847 1.00 0.00 C ATOM 0 HA ILE A 725 9.327 -7.428 -2.108 1.00 0.00 H new ATOM 0 HB ILE A 725 11.234 -6.669 -4.360 1.00 0.00 H new ATOM 0 HG12 ILE A 725 11.798 -6.514 -1.401 1.00 0.00 H new ATOM 0 HG13 ILE A 725 11.978 -8.039 -2.246 1.00 0.00 H new ATOM 0 HG21 ILE A 725 11.351 -4.466 -3.264 1.00 0.00 H new ATOM 0 HG22 ILE A 725 9.707 -4.825 -3.846 1.00 0.00 H new ATOM 0 HG23 ILE A 725 10.091 -4.975 -2.115 1.00 0.00 H new ATOM 0 HD11 ILE A 725 14.113 -6.851 -2.118 1.00 0.00 H new ATOM 0 HD12 ILE A 725 13.581 -6.999 -3.810 1.00 0.00 H new ATOM 0 HD13 ILE A 725 13.399 -5.451 -2.952 1.00 0.00 H new ATOM 243 N MET A 726 8.668 -7.218 -5.350 1.00 0.00 N ATOM 244 CA MET A 726 7.657 -6.808 -6.318 1.00 0.00 C ATOM 245 C MET A 726 6.350 -7.560 -6.089 1.00 0.00 C ATOM 246 O MET A 726 5.301 -6.950 -5.883 1.00 0.00 O ATOM 247 CB MET A 726 8.157 -7.052 -7.743 1.00 0.00 C ATOM 248 CG MET A 726 9.470 -6.354 -8.055 1.00 0.00 C ATOM 249 SD MET A 726 9.841 -6.325 -9.819 1.00 0.00 S ATOM 250 CE MET A 726 8.600 -5.175 -10.407 1.00 0.00 C ATOM 0 H MET A 726 9.480 -7.682 -5.758 1.00 0.00 H new ATOM 0 HA MET A 726 7.471 -5.742 -6.184 1.00 0.00 H new ATOM 0 HB2 MET A 726 8.279 -8.124 -7.898 1.00 0.00 H new ATOM 0 HB3 MET A 726 7.398 -6.713 -8.448 1.00 0.00 H new ATOM 0 HG2 MET A 726 9.431 -5.332 -7.679 1.00 0.00 H new ATOM 0 HG3 MET A 726 10.279 -6.858 -7.526 1.00 0.00 H new ATOM 0 HE1 MET A 726 8.919 -4.751 -11.359 1.00 0.00 H new ATOM 0 HE2 MET A 726 7.653 -5.698 -10.541 1.00 0.00 H new ATOM 0 HE3 MET A 726 8.472 -4.374 -9.679 1.00 0.00 H new ATOM 260 N GLN A 727 6.421 -8.887 -6.128 1.00 0.00 N ATOM 261 CA GLN A 727 5.242 -9.720 -5.926 1.00 0.00 C ATOM 262 C GLN A 727 4.424 -9.227 -4.736 1.00 0.00 C ATOM 263 O GLN A 727 3.243 -8.908 -4.872 1.00 0.00 O ATOM 264 CB GLN A 727 5.653 -11.178 -5.708 1.00 0.00 C ATOM 265 CG GLN A 727 4.474 -12.128 -5.571 1.00 0.00 C ATOM 266 CD GLN A 727 3.833 -12.459 -6.904 1.00 0.00 C ATOM 267 OE1 GLN A 727 4.022 -13.550 -7.443 1.00 0.00 O ATOM 268 NE2 GLN A 727 3.068 -11.517 -7.443 1.00 0.00 N ATOM 0 H GLN A 727 7.282 -9.407 -6.297 1.00 0.00 H new ATOM 0 HA GLN A 727 4.624 -9.654 -6.821 1.00 0.00 H new ATOM 0 HB2 GLN A 727 6.274 -11.501 -6.544 1.00 0.00 H new ATOM 0 HB3 GLN A 727 6.268 -11.243 -4.810 1.00 0.00 H new ATOM 0 HG2 GLN A 727 4.808 -13.049 -5.094 1.00 0.00 H new ATOM 0 HG3 GLN A 727 3.727 -11.682 -4.914 1.00 0.00 H new ATOM 0 HE21 GLN A 727 2.939 -10.627 -6.961 1.00 0.00 H new ATOM 0 HE22 GLN A 727 2.609 -11.683 -8.339 1.00 0.00 H new ATOM 277 N ALA A 728 5.060 -9.169 -3.571 1.00 0.00 N ATOM 278 CA ALA A 728 4.391 -8.714 -2.358 1.00 0.00 C ATOM 279 C ALA A 728 3.803 -7.319 -2.546 1.00 0.00 C ATOM 280 O ALA A 728 2.585 -7.139 -2.521 1.00 0.00 O ATOM 281 CB ALA A 728 5.360 -8.726 -1.185 1.00 0.00 C ATOM 0 H ALA A 728 6.037 -9.431 -3.441 1.00 0.00 H new ATOM 0 HA ALA A 728 3.571 -9.400 -2.145 1.00 0.00 H new ATOM 0 HB1 ALA A 728 4.847 -8.384 -0.286 1.00 0.00 H new ATOM 0 HB2 ALA A 728 5.730 -9.739 -1.029 1.00 0.00 H new ATOM 0 HB3 ALA A 728 6.198 -8.063 -1.399 1.00 0.00 H new ATOM 287 N LYS A 729 4.675 -6.335 -2.734 1.00 0.00 N ATOM 288 CA LYS A 729 4.242 -4.956 -2.927 1.00 0.00 C ATOM 289 C LYS A 729 3.045 -4.888 -3.870 1.00 0.00 C ATOM 290 O LYS A 729 2.112 -4.117 -3.647 1.00 0.00 O ATOM 291 CB LYS A 729 5.392 -4.112 -3.484 1.00 0.00 C ATOM 292 CG LYS A 729 6.251 -3.470 -2.409 1.00 0.00 C ATOM 293 CD LYS A 729 7.338 -2.596 -3.012 1.00 0.00 C ATOM 294 CE LYS A 729 8.468 -2.351 -2.024 1.00 0.00 C ATOM 295 NZ LYS A 729 8.054 -1.439 -0.922 1.00 0.00 N ATOM 0 H LYS A 729 5.686 -6.467 -2.757 1.00 0.00 H new ATOM 0 HA LYS A 729 3.942 -4.557 -1.958 1.00 0.00 H new ATOM 0 HB2 LYS A 729 6.022 -4.741 -4.113 1.00 0.00 H new ATOM 0 HB3 LYS A 729 4.982 -3.331 -4.124 1.00 0.00 H new ATOM 0 HG2 LYS A 729 5.623 -2.869 -1.751 1.00 0.00 H new ATOM 0 HG3 LYS A 729 6.706 -4.246 -1.794 1.00 0.00 H new ATOM 0 HD2 LYS A 729 7.734 -3.073 -3.909 1.00 0.00 H new ATOM 0 HD3 LYS A 729 6.910 -1.642 -3.321 1.00 0.00 H new ATOM 0 HE2 LYS A 729 8.796 -3.302 -1.604 1.00 0.00 H new ATOM 0 HE3 LYS A 729 9.322 -1.923 -2.548 1.00 0.00 H new ATOM 0 HZ1 LYS A 729 8.666 -1.593 -0.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 729 8.141 -0.452 -1.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 729 7.066 -1.634 -0.663 1.00 0.00 H new ATOM 309 N GLU A 730 3.079 -5.700 -4.922 1.00 0.00 N ATOM 310 CA GLU A 730 1.995 -5.731 -5.897 1.00 0.00 C ATOM 311 C GLU A 730 0.665 -6.054 -5.222 1.00 0.00 C ATOM 312 O GLU A 730 -0.296 -5.291 -5.323 1.00 0.00 O ATOM 313 CB GLU A 730 2.290 -6.763 -6.988 1.00 0.00 C ATOM 314 CG GLU A 730 1.217 -6.838 -8.061 1.00 0.00 C ATOM 315 CD GLU A 730 0.121 -7.829 -7.721 1.00 0.00 C ATOM 316 OE1 GLU A 730 -0.727 -7.503 -6.864 1.00 0.00 O ATOM 317 OE2 GLU A 730 0.111 -8.929 -8.311 1.00 0.00 O ATOM 0 H GLU A 730 3.844 -6.344 -5.121 1.00 0.00 H new ATOM 0 HA GLU A 730 1.921 -4.743 -6.352 1.00 0.00 H new ATOM 0 HB2 GLU A 730 3.244 -6.521 -7.456 1.00 0.00 H new ATOM 0 HB3 GLU A 730 2.401 -7.745 -6.527 1.00 0.00 H new ATOM 0 HG2 GLU A 730 0.778 -5.850 -8.200 1.00 0.00 H new ATOM 0 HG3 GLU A 730 1.675 -7.120 -9.009 1.00 0.00 H new ATOM 324 N ASP A 731 0.618 -7.190 -4.535 1.00 0.00 N ATOM 325 CA ASP A 731 -0.593 -7.615 -3.843 1.00 0.00 C ATOM 326 C ASP A 731 -1.025 -6.573 -2.815 1.00 0.00 C ATOM 327 O ASP A 731 -2.214 -6.290 -2.665 1.00 0.00 O ATOM 328 CB ASP A 731 -0.368 -8.963 -3.157 1.00 0.00 C ATOM 329 CG ASP A 731 -0.227 -10.101 -4.150 1.00 0.00 C ATOM 330 OD1 ASP A 731 0.651 -10.011 -5.034 1.00 0.00 O ATOM 331 OD2 ASP A 731 -0.994 -11.080 -4.044 1.00 0.00 O ATOM 0 H ASP A 731 1.404 -7.833 -4.442 1.00 0.00 H new ATOM 0 HA ASP A 731 -1.386 -7.721 -4.583 1.00 0.00 H new ATOM 0 HB2 ASP A 731 0.530 -8.909 -2.541 1.00 0.00 H new ATOM 0 HB3 ASP A 731 -1.202 -9.170 -2.487 1.00 0.00 H new ATOM 336 N PHE A 732 -0.052 -6.008 -2.108 1.00 0.00 N ATOM 337 CA PHE A 732 -0.332 -5.000 -1.092 1.00 0.00 C ATOM 338 C PHE A 732 -0.896 -3.732 -1.726 1.00 0.00 C ATOM 339 O PHE A 732 -2.066 -3.396 -1.536 1.00 0.00 O ATOM 340 CB PHE A 732 0.939 -4.669 -0.308 1.00 0.00 C ATOM 341 CG PHE A 732 0.678 -3.931 0.974 1.00 0.00 C ATOM 342 CD1 PHE A 732 -0.087 -4.506 1.976 1.00 0.00 C ATOM 343 CD2 PHE A 732 1.197 -2.663 1.177 1.00 0.00 C ATOM 344 CE1 PHE A 732 -0.329 -3.830 3.157 1.00 0.00 C ATOM 345 CE2 PHE A 732 0.959 -1.982 2.356 1.00 0.00 C ATOM 346 CZ PHE A 732 0.194 -2.566 3.347 1.00 0.00 C ATOM 0 H PHE A 732 0.937 -6.231 -2.220 1.00 0.00 H new ATOM 0 HA PHE A 732 -1.077 -5.406 -0.408 1.00 0.00 H new ATOM 0 HB2 PHE A 732 1.469 -5.595 -0.084 1.00 0.00 H new ATOM 0 HB3 PHE A 732 1.597 -4.069 -0.936 1.00 0.00 H new ATOM 0 HD1 PHE A 732 -0.499 -5.494 1.833 1.00 0.00 H new ATOM 0 HD2 PHE A 732 1.795 -2.201 0.405 1.00 0.00 H new ATOM 0 HE1 PHE A 732 -0.926 -4.290 3.930 1.00 0.00 H new ATOM 0 HE2 PHE A 732 1.371 -0.994 2.502 1.00 0.00 H new ATOM 0 HZ PHE A 732 0.005 -2.035 4.268 1.00 0.00 H new ATOM 356 N LYS A 733 -0.057 -3.030 -2.480 1.00 0.00 N ATOM 357 CA LYS A 733 -0.470 -1.799 -3.143 1.00 0.00 C ATOM 358 C LYS A 733 -1.843 -1.962 -3.787 1.00 0.00 C ATOM 359 O LYS A 733 -2.725 -1.121 -3.613 1.00 0.00 O ATOM 360 CB LYS A 733 0.558 -1.397 -4.203 1.00 0.00 C ATOM 361 CG LYS A 733 1.933 -1.092 -3.634 1.00 0.00 C ATOM 362 CD LYS A 733 1.952 0.244 -2.910 1.00 0.00 C ATOM 363 CE LYS A 733 2.223 1.393 -3.870 1.00 0.00 C ATOM 364 NZ LYS A 733 3.656 1.458 -4.267 1.00 0.00 N ATOM 0 H LYS A 733 0.914 -3.293 -2.647 1.00 0.00 H new ATOM 0 HA LYS A 733 -0.533 -1.013 -2.390 1.00 0.00 H new ATOM 0 HB2 LYS A 733 0.647 -2.201 -4.934 1.00 0.00 H new ATOM 0 HB3 LYS A 733 0.193 -0.520 -4.737 1.00 0.00 H new ATOM 0 HG2 LYS A 733 2.227 -1.884 -2.946 1.00 0.00 H new ATOM 0 HG3 LYS A 733 2.667 -1.081 -4.440 1.00 0.00 H new ATOM 0 HD2 LYS A 733 0.996 0.403 -2.411 1.00 0.00 H new ATOM 0 HD3 LYS A 733 2.717 0.228 -2.134 1.00 0.00 H new ATOM 0 HE2 LYS A 733 1.605 1.276 -4.760 1.00 0.00 H new ATOM 0 HE3 LYS A 733 1.933 2.334 -3.402 1.00 0.00 H new ATOM 0 HZ1 LYS A 733 3.838 2.352 -4.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 733 4.254 1.407 -3.418 1.00 0.00 H new ATOM 0 HZ3 LYS A 733 3.879 0.660 -4.895 1.00 0.00 H new ATOM 378 N LYS A 734 -2.018 -3.050 -4.529 1.00 0.00 N ATOM 379 CA LYS A 734 -3.285 -3.325 -5.197 1.00 0.00 C ATOM 380 C LYS A 734 -4.367 -3.686 -4.184 1.00 0.00 C ATOM 381 O LYS A 734 -5.523 -3.290 -4.330 1.00 0.00 O ATOM 382 CB LYS A 734 -3.116 -4.463 -6.206 1.00 0.00 C ATOM 383 CG LYS A 734 -2.394 -4.048 -7.476 1.00 0.00 C ATOM 384 CD LYS A 734 -2.770 -4.940 -8.648 1.00 0.00 C ATOM 385 CE LYS A 734 -2.005 -4.559 -9.906 1.00 0.00 C ATOM 386 NZ LYS A 734 -2.201 -5.553 -10.997 1.00 0.00 N ATOM 0 H LYS A 734 -1.298 -3.756 -4.683 1.00 0.00 H new ATOM 0 HA LYS A 734 -3.593 -2.422 -5.725 1.00 0.00 H new ATOM 0 HB2 LYS A 734 -2.565 -5.277 -5.734 1.00 0.00 H new ATOM 0 HB3 LYS A 734 -4.099 -4.854 -6.468 1.00 0.00 H new ATOM 0 HG2 LYS A 734 -2.638 -3.012 -7.713 1.00 0.00 H new ATOM 0 HG3 LYS A 734 -1.317 -4.093 -7.314 1.00 0.00 H new ATOM 0 HD2 LYS A 734 -2.563 -5.980 -8.396 1.00 0.00 H new ATOM 0 HD3 LYS A 734 -3.841 -4.864 -8.835 1.00 0.00 H new ATOM 0 HE2 LYS A 734 -2.332 -3.577 -10.247 1.00 0.00 H new ATOM 0 HE3 LYS A 734 -0.943 -4.478 -9.675 1.00 0.00 H new ATOM 0 HZ1 LYS A 734 -1.663 -5.257 -11.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 734 -1.865 -6.485 -10.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 734 -3.212 -5.612 -11.236 1.00 0.00 H new ATOM 400 N MET A 735 -3.983 -4.437 -3.158 1.00 0.00 N ATOM 401 CA MET A 735 -4.921 -4.848 -2.119 1.00 0.00 C ATOM 402 C MET A 735 -5.532 -3.634 -1.427 1.00 0.00 C ATOM 403 O MET A 735 -6.740 -3.582 -1.199 1.00 0.00 O ATOM 404 CB MET A 735 -4.218 -5.736 -1.090 1.00 0.00 C ATOM 405 CG MET A 735 -4.946 -5.815 0.242 1.00 0.00 C ATOM 406 SD MET A 735 -4.606 -4.398 1.304 1.00 0.00 S ATOM 407 CE MET A 735 -2.948 -4.782 1.861 1.00 0.00 C ATOM 0 H MET A 735 -3.030 -4.774 -3.023 1.00 0.00 H new ATOM 0 HA MET A 735 -5.722 -5.416 -2.592 1.00 0.00 H new ATOM 0 HB2 MET A 735 -4.116 -6.741 -1.499 1.00 0.00 H new ATOM 0 HB3 MET A 735 -3.210 -5.356 -0.922 1.00 0.00 H new ATOM 0 HG2 MET A 735 -6.019 -5.880 0.062 1.00 0.00 H new ATOM 0 HG3 MET A 735 -4.653 -6.729 0.758 1.00 0.00 H new ATOM 0 HE1 MET A 735 -2.844 -4.509 2.911 1.00 0.00 H new ATOM 0 HE2 MET A 735 -2.763 -5.850 1.744 1.00 0.00 H new ATOM 0 HE3 MET A 735 -2.226 -4.222 1.267 1.00 0.00 H new ATOM 417 N MET A 736 -4.690 -2.661 -1.097 1.00 0.00 N ATOM 418 CA MET A 736 -5.149 -1.447 -0.432 1.00 0.00 C ATOM 419 C MET A 736 -5.982 -0.589 -1.380 1.00 0.00 C ATOM 420 O MET A 736 -7.054 -0.108 -1.015 1.00 0.00 O ATOM 421 CB MET A 736 -3.957 -0.642 0.088 1.00 0.00 C ATOM 422 CG MET A 736 -3.376 -1.184 1.384 1.00 0.00 C ATOM 423 SD MET A 736 -2.385 0.038 2.265 1.00 0.00 S ATOM 424 CE MET A 736 -1.126 0.398 1.044 1.00 0.00 C ATOM 0 H MET A 736 -3.687 -2.689 -1.279 1.00 0.00 H new ATOM 0 HA MET A 736 -5.776 -1.740 0.411 1.00 0.00 H new ATOM 0 HB2 MET A 736 -3.177 -0.630 -0.673 1.00 0.00 H new ATOM 0 HB3 MET A 736 -4.267 0.392 0.243 1.00 0.00 H new ATOM 0 HG2 MET A 736 -4.188 -1.521 2.029 1.00 0.00 H new ATOM 0 HG3 MET A 736 -2.760 -2.056 1.165 1.00 0.00 H new ATOM 0 HE1 MET A 736 -0.290 0.907 1.523 1.00 0.00 H new ATOM 0 HE2 MET A 736 -0.776 -0.532 0.597 1.00 0.00 H new ATOM 0 HE3 MET A 736 -1.545 1.039 0.268 1.00 0.00 H new ATOM 434 N GLU A 737 -5.481 -0.403 -2.597 1.00 0.00 N ATOM 435 CA GLU A 737 -6.180 0.397 -3.596 1.00 0.00 C ATOM 436 C GLU A 737 -7.646 -0.014 -3.694 1.00 0.00 C ATOM 437 O GLU A 737 -8.536 0.834 -3.747 1.00 0.00 O ATOM 438 CB GLU A 737 -5.505 0.252 -4.961 1.00 0.00 C ATOM 439 CG GLU A 737 -4.362 1.228 -5.183 1.00 0.00 C ATOM 440 CD GLU A 737 -4.142 1.544 -6.650 1.00 0.00 C ATOM 441 OE1 GLU A 737 -5.138 1.806 -7.356 1.00 0.00 O ATOM 442 OE2 GLU A 737 -2.974 1.529 -7.091 1.00 0.00 O ATOM 0 H GLU A 737 -4.595 -0.795 -2.915 1.00 0.00 H new ATOM 0 HA GLU A 737 -6.134 1.441 -3.285 1.00 0.00 H new ATOM 0 HB2 GLU A 737 -5.128 -0.765 -5.064 1.00 0.00 H new ATOM 0 HB3 GLU A 737 -6.251 0.396 -5.743 1.00 0.00 H new ATOM 0 HG2 GLU A 737 -4.568 2.152 -4.643 1.00 0.00 H new ATOM 0 HG3 GLU A 737 -3.446 0.811 -4.764 1.00 0.00 H new ATOM 449 N GLU A 738 -7.888 -1.321 -3.718 1.00 0.00 N ATOM 450 CA GLU A 738 -9.246 -1.844 -3.811 1.00 0.00 C ATOM 451 C GLU A 738 -10.026 -1.564 -2.530 1.00 0.00 C ATOM 452 O GLU A 738 -11.121 -1.003 -2.567 1.00 0.00 O ATOM 453 CB GLU A 738 -9.218 -3.349 -4.086 1.00 0.00 C ATOM 454 CG GLU A 738 -8.778 -3.702 -5.497 1.00 0.00 C ATOM 455 CD GLU A 738 -9.899 -3.567 -6.509 1.00 0.00 C ATOM 456 OE1 GLU A 738 -11.044 -3.943 -6.179 1.00 0.00 O ATOM 457 OE2 GLU A 738 -9.633 -3.085 -7.629 1.00 0.00 O ATOM 0 H GLU A 738 -7.162 -2.036 -3.674 1.00 0.00 H new ATOM 0 HA GLU A 738 -9.747 -1.340 -4.638 1.00 0.00 H new ATOM 0 HB2 GLU A 738 -8.545 -3.827 -3.374 1.00 0.00 H new ATOM 0 HB3 GLU A 738 -10.212 -3.760 -3.911 1.00 0.00 H new ATOM 0 HG2 GLU A 738 -7.951 -3.055 -5.788 1.00 0.00 H new ATOM 0 HG3 GLU A 738 -8.402 -4.725 -5.511 1.00 0.00 H new ATOM 464 N ALA A 739 -9.454 -1.959 -1.397 1.00 0.00 N ATOM 465 CA ALA A 739 -10.094 -1.750 -0.105 1.00 0.00 C ATOM 466 C ALA A 739 -10.787 -0.393 -0.048 1.00 0.00 C ATOM 467 O ALA A 739 -11.918 -0.280 0.425 1.00 0.00 O ATOM 468 CB ALA A 739 -9.072 -1.870 1.016 1.00 0.00 C ATOM 0 H ALA A 739 -8.548 -2.426 -1.348 1.00 0.00 H new ATOM 0 HA ALA A 739 -10.853 -2.522 0.025 1.00 0.00 H new ATOM 0 HB1 ALA A 739 -9.564 -1.712 1.976 1.00 0.00 H new ATOM 0 HB2 ALA A 739 -8.626 -2.864 0.997 1.00 0.00 H new ATOM 0 HB3 ALA A 739 -8.293 -1.120 0.880 1.00 0.00 H new ATOM 474 N LYS A 740 -10.101 0.637 -0.533 1.00 0.00 N ATOM 475 CA LYS A 740 -10.650 1.988 -0.539 1.00 0.00 C ATOM 476 C LYS A 740 -11.059 2.415 0.867 1.00 0.00 C ATOM 477 O LYS A 740 -12.110 3.027 1.059 1.00 0.00 O ATOM 478 CB LYS A 740 -11.856 2.066 -1.479 1.00 0.00 C ATOM 479 CG LYS A 740 -11.491 2.436 -2.906 1.00 0.00 C ATOM 480 CD LYS A 740 -12.693 2.340 -3.831 1.00 0.00 C ATOM 481 CE LYS A 740 -12.395 2.942 -5.196 1.00 0.00 C ATOM 482 NZ LYS A 740 -13.634 3.406 -5.880 1.00 0.00 N ATOM 0 H LYS A 740 -9.163 0.562 -0.927 1.00 0.00 H new ATOM 0 HA LYS A 740 -9.875 2.667 -0.895 1.00 0.00 H new ATOM 0 HB2 LYS A 740 -12.367 1.103 -1.481 1.00 0.00 H new ATOM 0 HB3 LYS A 740 -12.562 2.801 -1.091 1.00 0.00 H new ATOM 0 HG2 LYS A 740 -11.093 3.450 -2.929 1.00 0.00 H new ATOM 0 HG3 LYS A 740 -10.702 1.775 -3.264 1.00 0.00 H new ATOM 0 HD2 LYS A 740 -12.981 1.295 -3.948 1.00 0.00 H new ATOM 0 HD3 LYS A 740 -13.541 2.856 -3.382 1.00 0.00 H new ATOM 0 HE2 LYS A 740 -11.708 3.780 -5.081 1.00 0.00 H new ATOM 0 HE3 LYS A 740 -11.893 2.201 -5.818 1.00 0.00 H new ATOM 0 HZ1 LYS A 740 -13.389 3.810 -6.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 740 -14.279 2.601 -6.013 1.00 0.00 H new ATOM 0 HZ3 LYS A 740 -14.100 4.132 -5.299 1.00 0.00 H new ATOM 496 N PHE A 741 -10.222 2.089 1.846 1.00 0.00 N ATOM 497 CA PHE A 741 -10.497 2.440 3.235 1.00 0.00 C ATOM 498 C PHE A 741 -10.397 3.948 3.445 1.00 0.00 C ATOM 499 O PHE A 741 -10.048 4.691 2.529 1.00 0.00 O ATOM 500 CB PHE A 741 -9.523 1.717 4.168 1.00 0.00 C ATOM 501 CG PHE A 741 -8.083 2.064 3.916 1.00 0.00 C ATOM 502 CD1 PHE A 741 -7.609 3.340 4.175 1.00 0.00 C ATOM 503 CD2 PHE A 741 -7.204 1.114 3.422 1.00 0.00 C ATOM 504 CE1 PHE A 741 -6.285 3.662 3.943 1.00 0.00 C ATOM 505 CE2 PHE A 741 -5.879 1.430 3.190 1.00 0.00 C ATOM 506 CZ PHE A 741 -5.419 2.705 3.452 1.00 0.00 C ATOM 0 H PHE A 741 -9.348 1.583 1.704 1.00 0.00 H new ATOM 0 HA PHE A 741 -11.514 2.126 3.469 1.00 0.00 H new ATOM 0 HB2 PHE A 741 -9.772 1.961 5.201 1.00 0.00 H new ATOM 0 HB3 PHE A 741 -9.655 0.641 4.055 1.00 0.00 H new ATOM 0 HD1 PHE A 741 -8.281 4.091 4.562 1.00 0.00 H new ATOM 0 HD2 PHE A 741 -7.558 0.115 3.216 1.00 0.00 H new ATOM 0 HE1 PHE A 741 -5.928 4.661 4.146 1.00 0.00 H new ATOM 0 HE2 PHE A 741 -5.204 0.680 2.804 1.00 0.00 H new ATOM 0 HZ PHE A 741 -4.383 2.954 3.273 1.00 0.00 H new ATOM 516 N ASN A 742 -10.706 4.392 4.659 1.00 0.00 N ATOM 517 CA ASN A 742 -10.652 5.811 4.990 1.00 0.00 C ATOM 518 C ASN A 742 -9.286 6.186 5.557 1.00 0.00 C ATOM 519 O ASN A 742 -8.654 5.416 6.282 1.00 0.00 O ATOM 520 CB ASN A 742 -11.748 6.163 5.998 1.00 0.00 C ATOM 521 CG ASN A 742 -13.134 5.821 5.487 1.00 0.00 C ATOM 522 OD1 ASN A 742 -13.730 6.579 4.720 1.00 0.00 O ATOM 523 ND2 ASN A 742 -13.655 4.676 5.910 1.00 0.00 N ATOM 0 H ASN A 742 -10.996 3.790 5.429 1.00 0.00 H new ATOM 0 HA ASN A 742 -10.814 6.378 4.074 1.00 0.00 H new ATOM 0 HB2 ASN A 742 -11.565 5.629 6.931 1.00 0.00 H new ATOM 0 HB3 ASN A 742 -11.700 7.228 6.226 1.00 0.00 H new ATOM 0 HD21 ASN A 742 -14.585 4.393 5.600 1.00 0.00 H new ATOM 0 HD22 ASN A 742 -13.126 4.079 6.545 1.00 0.00 H new ATOM 530 N PRO A 743 -8.818 7.397 5.221 1.00 0.00 N ATOM 531 CA PRO A 743 -7.523 7.902 5.686 1.00 0.00 C ATOM 532 C PRO A 743 -7.523 8.209 7.180 1.00 0.00 C ATOM 533 O PRO A 743 -6.479 8.168 7.832 1.00 0.00 O ATOM 534 CB PRO A 743 -7.332 9.187 4.877 1.00 0.00 C ATOM 535 CG PRO A 743 -8.713 9.626 4.531 1.00 0.00 C ATOM 536 CD PRO A 743 -9.517 8.367 4.361 1.00 0.00 C ATOM 0 HA PRO A 743 -6.727 7.171 5.546 1.00 0.00 H new ATOM 0 HB2 PRO A 743 -6.809 9.947 5.458 1.00 0.00 H new ATOM 0 HB3 PRO A 743 -6.738 9.006 3.981 1.00 0.00 H new ATOM 0 HG2 PRO A 743 -9.132 10.253 5.318 1.00 0.00 H new ATOM 0 HG3 PRO A 743 -8.717 10.218 3.616 1.00 0.00 H new ATOM 0 HD2 PRO A 743 -10.552 8.506 4.672 1.00 0.00 H new ATOM 0 HD3 PRO A 743 -9.537 8.041 3.321 1.00 0.00 H new ATOM 544 N ARG A 744 -8.699 8.515 7.717 1.00 0.00 N ATOM 545 CA ARG A 744 -8.834 8.829 9.134 1.00 0.00 C ATOM 546 C ARG A 744 -8.263 7.707 9.996 1.00 0.00 C ATOM 547 O ARG A 744 -7.632 7.959 11.022 1.00 0.00 O ATOM 548 CB ARG A 744 -10.304 9.061 9.489 1.00 0.00 C ATOM 549 CG ARG A 744 -10.846 10.393 8.997 1.00 0.00 C ATOM 550 CD ARG A 744 -10.422 11.537 9.903 1.00 0.00 C ATOM 551 NE ARG A 744 -10.588 12.837 9.259 1.00 0.00 N ATOM 552 CZ ARG A 744 -10.547 13.992 9.913 1.00 0.00 C ATOM 553 NH1 ARG A 744 -10.346 14.009 11.224 1.00 0.00 N ATOM 554 NH2 ARG A 744 -10.707 15.134 9.256 1.00 0.00 N ATOM 0 H ARG A 744 -9.573 8.552 7.192 1.00 0.00 H new ATOM 0 HA ARG A 744 -8.271 9.740 9.334 1.00 0.00 H new ATOM 0 HB2 ARG A 744 -10.903 8.255 9.065 1.00 0.00 H new ATOM 0 HB3 ARG A 744 -10.420 9.008 10.571 1.00 0.00 H new ATOM 0 HG2 ARG A 744 -10.491 10.579 7.984 1.00 0.00 H new ATOM 0 HG3 ARG A 744 -11.934 10.349 8.950 1.00 0.00 H new ATOM 0 HD2 ARG A 744 -11.010 11.510 10.820 1.00 0.00 H new ATOM 0 HD3 ARG A 744 -9.379 11.405 10.189 1.00 0.00 H new ATOM 0 HE ARG A 744 -10.744 12.859 8.251 1.00 0.00 H new ATOM 0 HH11 ARG A 744 -10.222 13.133 11.732 1.00 0.00 H new ATOM 0 HH12 ARG A 744 -10.315 14.898 11.724 1.00 0.00 H new ATOM 0 HH21 ARG A 744 -10.862 15.125 8.248 1.00 0.00 H new ATOM 0 HH22 ARG A 744 -10.675 16.021 9.759 1.00 0.00 H new ATOM 568 N ALA A 745 -8.489 6.468 9.572 1.00 0.00 N ATOM 569 CA ALA A 745 -7.995 5.308 10.304 1.00 0.00 C ATOM 570 C ALA A 745 -6.481 5.368 10.472 1.00 0.00 C ATOM 571 O ALA A 745 -5.780 5.981 9.666 1.00 0.00 O ATOM 572 CB ALA A 745 -8.399 4.025 9.593 1.00 0.00 C ATOM 0 H ALA A 745 -9.011 6.242 8.725 1.00 0.00 H new ATOM 0 HA ALA A 745 -8.444 5.318 11.297 1.00 0.00 H new ATOM 0 HB1 ALA A 745 -8.024 3.167 10.150 1.00 0.00 H new ATOM 0 HB2 ALA A 745 -9.486 3.970 9.531 1.00 0.00 H new ATOM 0 HB3 ALA A 745 -7.977 4.018 8.588 1.00 0.00 H new ATOM 578 N THR A 746 -5.981 4.730 11.526 1.00 0.00 N ATOM 579 CA THR A 746 -4.550 4.712 11.801 1.00 0.00 C ATOM 580 C THR A 746 -3.894 3.463 11.223 1.00 0.00 C ATOM 581 O THR A 746 -4.576 2.509 10.850 1.00 0.00 O ATOM 582 CB THR A 746 -4.268 4.774 13.314 1.00 0.00 C ATOM 583 OG1 THR A 746 -2.858 4.874 13.545 1.00 0.00 O ATOM 584 CG2 THR A 746 -4.816 3.542 14.017 1.00 0.00 C ATOM 0 H THR A 746 -6.547 4.219 12.203 1.00 0.00 H new ATOM 0 HA THR A 746 -4.125 5.595 11.324 1.00 0.00 H new ATOM 0 HB THR A 746 -4.766 5.655 13.719 1.00 0.00 H new ATOM 0 HG1 THR A 746 -2.687 4.915 14.509 1.00 0.00 H new ATOM 0 HG21 THR A 746 -4.605 3.608 15.084 1.00 0.00 H new ATOM 0 HG22 THR A 746 -5.894 3.484 13.863 1.00 0.00 H new ATOM 0 HG23 THR A 746 -4.343 2.649 13.608 1.00 0.00 H new ATOM 592 N PHE A 747 -2.567 3.476 11.154 1.00 0.00 N ATOM 593 CA PHE A 747 -1.819 2.343 10.621 1.00 0.00 C ATOM 594 C PHE A 747 -2.077 1.085 11.445 1.00 0.00 C ATOM 595 O PHE A 747 -2.262 -0.002 10.898 1.00 0.00 O ATOM 596 CB PHE A 747 -0.321 2.656 10.604 1.00 0.00 C ATOM 597 CG PHE A 747 0.542 1.445 10.394 1.00 0.00 C ATOM 598 CD1 PHE A 747 0.400 0.666 9.258 1.00 0.00 C ATOM 599 CD2 PHE A 747 1.496 1.087 11.333 1.00 0.00 C ATOM 600 CE1 PHE A 747 1.193 -0.449 9.061 1.00 0.00 C ATOM 601 CE2 PHE A 747 2.292 -0.026 11.142 1.00 0.00 C ATOM 602 CZ PHE A 747 2.140 -0.796 10.005 1.00 0.00 C ATOM 0 H PHE A 747 -1.988 4.258 11.460 1.00 0.00 H new ATOM 0 HA PHE A 747 -2.158 2.164 9.601 1.00 0.00 H new ATOM 0 HB2 PHE A 747 -0.118 3.379 9.814 1.00 0.00 H new ATOM 0 HB3 PHE A 747 -0.046 3.129 11.547 1.00 0.00 H new ATOM 0 HD1 PHE A 747 -0.339 0.933 8.517 1.00 0.00 H new ATOM 0 HD2 PHE A 747 1.619 1.685 12.224 1.00 0.00 H new ATOM 0 HE1 PHE A 747 1.072 -1.048 8.170 1.00 0.00 H new ATOM 0 HE2 PHE A 747 3.033 -0.294 11.881 1.00 0.00 H new ATOM 0 HZ PHE A 747 2.760 -1.667 9.855 1.00 0.00 H new ATOM 612 N SER A 748 -2.088 1.241 12.765 1.00 0.00 N ATOM 613 CA SER A 748 -2.319 0.118 13.666 1.00 0.00 C ATOM 614 C SER A 748 -3.638 -0.576 13.342 1.00 0.00 C ATOM 615 O SER A 748 -3.676 -1.784 13.113 1.00 0.00 O ATOM 616 CB SER A 748 -2.325 0.595 15.120 1.00 0.00 C ATOM 617 OG SER A 748 -2.054 -0.474 16.009 1.00 0.00 O ATOM 0 H SER A 748 -1.940 2.134 13.234 1.00 0.00 H new ATOM 0 HA SER A 748 -1.508 -0.598 13.529 1.00 0.00 H new ATOM 0 HB2 SER A 748 -1.580 1.379 15.252 1.00 0.00 H new ATOM 0 HB3 SER A 748 -3.294 1.033 15.358 1.00 0.00 H new ATOM 0 HG SER A 748 -2.062 -0.143 16.931 1.00 0.00 H new ATOM 623 N GLU A 749 -4.719 0.198 13.324 1.00 0.00 N ATOM 624 CA GLU A 749 -6.041 -0.342 13.029 1.00 0.00 C ATOM 625 C GLU A 749 -6.043 -1.073 11.689 1.00 0.00 C ATOM 626 O GLU A 749 -6.589 -2.169 11.569 1.00 0.00 O ATOM 627 CB GLU A 749 -7.082 0.779 13.012 1.00 0.00 C ATOM 628 CG GLU A 749 -7.490 1.251 14.398 1.00 0.00 C ATOM 629 CD GLU A 749 -8.488 0.322 15.061 1.00 0.00 C ATOM 630 OE1 GLU A 749 -8.321 -0.910 14.941 1.00 0.00 O ATOM 631 OE2 GLU A 749 -9.436 0.826 15.698 1.00 0.00 O ATOM 0 H GLU A 749 -4.705 1.201 13.510 1.00 0.00 H new ATOM 0 HA GLU A 749 -6.298 -1.055 13.813 1.00 0.00 H new ATOM 0 HB2 GLU A 749 -6.684 1.625 12.452 1.00 0.00 H new ATOM 0 HB3 GLU A 749 -7.968 0.433 12.480 1.00 0.00 H new ATOM 0 HG2 GLU A 749 -6.603 1.332 15.026 1.00 0.00 H new ATOM 0 HG3 GLU A 749 -7.922 2.249 14.325 1.00 0.00 H new ATOM 638 N PHE A 750 -5.428 -0.457 10.685 1.00 0.00 N ATOM 639 CA PHE A 750 -5.360 -1.047 9.353 1.00 0.00 C ATOM 640 C PHE A 750 -4.555 -2.344 9.374 1.00 0.00 C ATOM 641 O PHE A 750 -4.882 -3.300 8.672 1.00 0.00 O ATOM 642 CB PHE A 750 -4.733 -0.060 8.367 1.00 0.00 C ATOM 643 CG PHE A 750 -4.250 -0.705 7.099 1.00 0.00 C ATOM 644 CD1 PHE A 750 -5.126 -0.952 6.054 1.00 0.00 C ATOM 645 CD2 PHE A 750 -2.920 -1.065 6.952 1.00 0.00 C ATOM 646 CE1 PHE A 750 -4.686 -1.545 4.886 1.00 0.00 C ATOM 647 CE2 PHE A 750 -2.474 -1.658 5.786 1.00 0.00 C ATOM 648 CZ PHE A 750 -3.358 -1.899 4.752 1.00 0.00 C ATOM 0 H PHE A 750 -4.970 0.450 10.768 1.00 0.00 H new ATOM 0 HA PHE A 750 -6.376 -1.275 9.031 1.00 0.00 H new ATOM 0 HB2 PHE A 750 -5.466 0.708 8.118 1.00 0.00 H new ATOM 0 HB3 PHE A 750 -3.896 0.443 8.851 1.00 0.00 H new ATOM 0 HD1 PHE A 750 -6.166 -0.678 6.154 1.00 0.00 H new ATOM 0 HD2 PHE A 750 -2.224 -0.880 7.757 1.00 0.00 H new ATOM 0 HE1 PHE A 750 -5.380 -1.731 4.079 1.00 0.00 H new ATOM 0 HE2 PHE A 750 -1.435 -1.933 5.683 1.00 0.00 H new ATOM 0 HZ PHE A 750 -3.011 -2.363 3.841 1.00 0.00 H new ATOM 658 N ALA A 751 -3.501 -2.366 10.183 1.00 0.00 N ATOM 659 CA ALA A 751 -2.651 -3.545 10.297 1.00 0.00 C ATOM 660 C ALA A 751 -3.445 -4.750 10.789 1.00 0.00 C ATOM 661 O ALA A 751 -3.491 -5.786 10.127 1.00 0.00 O ATOM 662 CB ALA A 751 -1.482 -3.264 11.229 1.00 0.00 C ATOM 0 H ALA A 751 -3.215 -1.581 10.769 1.00 0.00 H new ATOM 0 HA ALA A 751 -2.263 -3.780 9.306 1.00 0.00 H new ATOM 0 HB1 ALA A 751 -0.856 -4.153 11.305 1.00 0.00 H new ATOM 0 HB2 ALA A 751 -0.892 -2.437 10.834 1.00 0.00 H new ATOM 0 HB3 ALA A 751 -1.860 -3.001 12.217 1.00 0.00 H new ATOM 668 N ALA A 752 -4.068 -4.606 11.954 1.00 0.00 N ATOM 669 CA ALA A 752 -4.861 -5.683 12.533 1.00 0.00 C ATOM 670 C ALA A 752 -6.152 -5.897 11.750 1.00 0.00 C ATOM 671 O ALA A 752 -6.698 -7.000 11.721 1.00 0.00 O ATOM 672 CB ALA A 752 -5.171 -5.384 13.993 1.00 0.00 C ATOM 0 H ALA A 752 -4.039 -3.755 12.515 1.00 0.00 H new ATOM 0 HA ALA A 752 -4.276 -6.601 12.477 1.00 0.00 H new ATOM 0 HB1 ALA A 752 -5.764 -6.197 14.413 1.00 0.00 H new ATOM 0 HB2 ALA A 752 -4.239 -5.289 14.551 1.00 0.00 H new ATOM 0 HB3 ALA A 752 -5.732 -4.452 14.062 1.00 0.00 H new ATOM 678 N LYS A 753 -6.637 -4.834 11.117 1.00 0.00 N ATOM 679 CA LYS A 753 -7.864 -4.905 10.332 1.00 0.00 C ATOM 680 C LYS A 753 -7.653 -5.727 9.065 1.00 0.00 C ATOM 681 O LYS A 753 -8.515 -6.516 8.674 1.00 0.00 O ATOM 682 CB LYS A 753 -8.341 -3.497 9.966 1.00 0.00 C ATOM 683 CG LYS A 753 -9.079 -2.793 11.091 1.00 0.00 C ATOM 684 CD LYS A 753 -10.566 -3.103 11.062 1.00 0.00 C ATOM 685 CE LYS A 753 -11.267 -2.366 9.931 1.00 0.00 C ATOM 686 NZ LYS A 753 -11.385 -0.908 10.207 1.00 0.00 N ATOM 0 H LYS A 753 -6.199 -3.913 11.132 1.00 0.00 H new ATOM 0 HA LYS A 753 -8.626 -5.395 10.938 1.00 0.00 H new ATOM 0 HB2 LYS A 753 -7.480 -2.895 9.675 1.00 0.00 H new ATOM 0 HB3 LYS A 753 -8.995 -3.559 9.096 1.00 0.00 H new ATOM 0 HG2 LYS A 753 -8.661 -3.100 12.050 1.00 0.00 H new ATOM 0 HG3 LYS A 753 -8.929 -1.717 11.008 1.00 0.00 H new ATOM 0 HD2 LYS A 753 -10.713 -4.177 10.944 1.00 0.00 H new ATOM 0 HD3 LYS A 753 -11.016 -2.823 12.014 1.00 0.00 H new ATOM 0 HE2 LYS A 753 -10.715 -2.516 9.003 1.00 0.00 H new ATOM 0 HE3 LYS A 753 -12.261 -2.789 9.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 753 -12.038 -0.477 9.522 1.00 0.00 H new ATOM 0 HZ2 LYS A 753 -11.750 -0.765 11.170 1.00 0.00 H new ATOM 0 HZ3 LYS A 753 -10.450 -0.462 10.122 1.00 0.00 H new ATOM 700 N HIS A 754 -6.502 -5.540 8.428 1.00 0.00 N ATOM 701 CA HIS A 754 -6.177 -6.266 7.206 1.00 0.00 C ATOM 702 C HIS A 754 -5.015 -7.228 7.438 1.00 0.00 C ATOM 703 O HIS A 754 -4.229 -7.497 6.530 1.00 0.00 O ATOM 704 CB HIS A 754 -5.828 -5.289 6.083 1.00 0.00 C ATOM 705 CG HIS A 754 -7.028 -4.681 5.424 1.00 0.00 C ATOM 706 ND1 HIS A 754 -7.786 -5.345 4.483 1.00 0.00 N ATOM 707 CD2 HIS A 754 -7.600 -3.464 5.575 1.00 0.00 C ATOM 708 CE1 HIS A 754 -8.772 -4.562 4.083 1.00 0.00 C ATOM 709 NE2 HIS A 754 -8.682 -3.414 4.731 1.00 0.00 N ATOM 0 H HIS A 754 -5.778 -4.891 8.738 1.00 0.00 H new ATOM 0 HA HIS A 754 -7.053 -6.845 6.914 1.00 0.00 H new ATOM 0 HB2 HIS A 754 -5.203 -4.493 6.487 1.00 0.00 H new ATOM 0 HB3 HIS A 754 -5.235 -5.809 5.331 1.00 0.00 H new ATOM 0 HD2 HIS A 754 -7.267 -2.678 6.237 1.00 0.00 H new ATOM 0 HE1 HIS A 754 -9.524 -4.817 3.351 1.00 0.00 H new ATOM 0 HE2 HIS A 754 -9.313 -2.620 4.622 1.00 0.00 H new ATOM 717 N ALA A 755 -4.915 -7.743 8.659 1.00 0.00 N ATOM 718 CA ALA A 755 -3.851 -8.676 9.009 1.00 0.00 C ATOM 719 C ALA A 755 -4.131 -10.065 8.446 1.00 0.00 C ATOM 720 O ALA A 755 -3.288 -10.653 7.768 1.00 0.00 O ATOM 721 CB ALA A 755 -3.682 -8.740 10.520 1.00 0.00 C ATOM 0 H ALA A 755 -5.558 -7.530 9.422 1.00 0.00 H new ATOM 0 HA ALA A 755 -2.923 -8.314 8.566 1.00 0.00 H new ATOM 0 HB1 ALA A 755 -2.884 -9.440 10.768 1.00 0.00 H new ATOM 0 HB2 ALA A 755 -3.427 -7.751 10.900 1.00 0.00 H new ATOM 0 HB3 ALA A 755 -4.613 -9.075 10.976 1.00 0.00 H new ATOM 727 N LYS A 756 -5.319 -10.586 8.732 1.00 0.00 N ATOM 728 CA LYS A 756 -5.712 -11.906 8.255 1.00 0.00 C ATOM 729 C LYS A 756 -5.568 -12.001 6.739 1.00 0.00 C ATOM 730 O LYS A 756 -5.409 -13.091 6.188 1.00 0.00 O ATOM 731 CB LYS A 756 -7.156 -12.210 8.660 1.00 0.00 C ATOM 732 CG LYS A 756 -7.299 -12.667 10.102 1.00 0.00 C ATOM 733 CD LYS A 756 -6.914 -14.128 10.263 1.00 0.00 C ATOM 734 CE LYS A 756 -7.535 -14.733 11.514 1.00 0.00 C ATOM 735 NZ LYS A 756 -6.728 -15.868 12.040 1.00 0.00 N ATOM 0 H LYS A 756 -6.028 -10.113 9.293 1.00 0.00 H new ATOM 0 HA LYS A 756 -5.051 -12.641 8.713 1.00 0.00 H new ATOM 0 HB2 LYS A 756 -7.763 -11.317 8.509 1.00 0.00 H new ATOM 0 HB3 LYS A 756 -7.555 -12.982 8.002 1.00 0.00 H new ATOM 0 HG2 LYS A 756 -6.670 -12.051 10.744 1.00 0.00 H new ATOM 0 HG3 LYS A 756 -8.328 -12.522 10.430 1.00 0.00 H new ATOM 0 HD2 LYS A 756 -7.238 -14.690 9.387 1.00 0.00 H new ATOM 0 HD3 LYS A 756 -5.829 -14.216 10.315 1.00 0.00 H new ATOM 0 HE2 LYS A 756 -7.626 -13.965 12.282 1.00 0.00 H new ATOM 0 HE3 LYS A 756 -8.544 -15.079 11.288 1.00 0.00 H new ATOM 0 HZ1 LYS A 756 -7.184 -16.253 12.892 1.00 0.00 H new ATOM 0 HZ2 LYS A 756 -6.662 -16.612 11.316 1.00 0.00 H new ATOM 0 HZ3 LYS A 756 -5.773 -15.533 12.280 1.00 0.00 H new ATOM 749 N ASP A 757 -5.623 -10.854 6.071 1.00 0.00 N ATOM 750 CA ASP A 757 -5.496 -10.808 4.619 1.00 0.00 C ATOM 751 C ASP A 757 -4.152 -11.377 4.173 1.00 0.00 C ATOM 752 O ASP A 757 -3.120 -10.716 4.285 1.00 0.00 O ATOM 753 CB ASP A 757 -5.648 -9.371 4.118 1.00 0.00 C ATOM 754 CG ASP A 757 -5.992 -9.306 2.643 1.00 0.00 C ATOM 755 OD1 ASP A 757 -7.063 -9.822 2.261 1.00 0.00 O ATOM 756 OD2 ASP A 757 -5.190 -8.740 1.870 1.00 0.00 O ATOM 0 H ASP A 757 -5.755 -9.944 6.512 1.00 0.00 H new ATOM 0 HA ASP A 757 -6.289 -11.420 4.189 1.00 0.00 H new ATOM 0 HB2 ASP A 757 -6.427 -8.869 4.692 1.00 0.00 H new ATOM 0 HB3 ASP A 757 -4.720 -8.827 4.296 1.00 0.00 H new ATOM 761 N SER A 758 -4.174 -12.606 3.667 1.00 0.00 N ATOM 762 CA SER A 758 -2.957 -13.266 3.209 1.00 0.00 C ATOM 763 C SER A 758 -1.992 -12.258 2.592 1.00 0.00 C ATOM 764 O SER A 758 -0.872 -12.082 3.070 1.00 0.00 O ATOM 765 CB SER A 758 -3.296 -14.355 2.189 1.00 0.00 C ATOM 766 OG SER A 758 -2.136 -15.073 1.806 1.00 0.00 O ATOM 0 H SER A 758 -5.021 -13.165 3.564 1.00 0.00 H new ATOM 0 HA SER A 758 -2.474 -13.724 4.072 1.00 0.00 H new ATOM 0 HB2 SER A 758 -4.028 -15.041 2.615 1.00 0.00 H new ATOM 0 HB3 SER A 758 -3.755 -13.904 1.309 1.00 0.00 H new ATOM 0 HG SER A 758 -2.379 -15.764 1.155 1.00 0.00 H new ATOM 772 N ARG A 759 -2.437 -11.598 1.527 1.00 0.00 N ATOM 773 CA ARG A 759 -1.613 -10.608 0.843 1.00 0.00 C ATOM 774 C ARG A 759 -0.904 -9.704 1.847 1.00 0.00 C ATOM 775 O ARG A 759 0.315 -9.537 1.795 1.00 0.00 O ATOM 776 CB ARG A 759 -2.471 -9.765 -0.102 1.00 0.00 C ATOM 777 CG ARG A 759 -3.209 -10.584 -1.149 1.00 0.00 C ATOM 778 CD ARG A 759 -4.040 -9.699 -2.064 1.00 0.00 C ATOM 779 NE ARG A 759 -4.421 -10.388 -3.294 1.00 0.00 N ATOM 780 CZ ARG A 759 -4.914 -9.769 -4.361 1.00 0.00 C ATOM 781 NH1 ARG A 759 -5.084 -8.454 -4.349 1.00 0.00 N ATOM 782 NH2 ARG A 759 -5.237 -10.465 -5.443 1.00 0.00 N ATOM 0 H ARG A 759 -3.363 -11.731 1.120 1.00 0.00 H new ATOM 0 HA ARG A 759 -0.859 -11.138 0.262 1.00 0.00 H new ATOM 0 HB2 ARG A 759 -3.197 -9.202 0.485 1.00 0.00 H new ATOM 0 HB3 ARG A 759 -1.834 -9.037 -0.605 1.00 0.00 H new ATOM 0 HG2 ARG A 759 -2.491 -11.150 -1.742 1.00 0.00 H new ATOM 0 HG3 ARG A 759 -3.857 -11.309 -0.656 1.00 0.00 H new ATOM 0 HD2 ARG A 759 -4.938 -9.375 -1.537 1.00 0.00 H new ATOM 0 HD3 ARG A 759 -3.474 -8.801 -2.312 1.00 0.00 H new ATOM 0 HE ARG A 759 -4.302 -11.400 -3.336 1.00 0.00 H new ATOM 0 HH11 ARG A 759 -4.836 -7.915 -3.519 1.00 0.00 H new ATOM 0 HH12 ARG A 759 -5.463 -7.981 -5.170 1.00 0.00 H new ATOM 0 HH21 ARG A 759 -5.107 -11.477 -5.456 1.00 0.00 H new ATOM 0 HH22 ARG A 759 -5.615 -9.989 -6.262 1.00 0.00 H new ATOM 796 N PHE A 760 -1.675 -9.122 2.759 1.00 0.00 N ATOM 797 CA PHE A 760 -1.122 -8.233 3.774 1.00 0.00 C ATOM 798 C PHE A 760 0.015 -8.914 4.531 1.00 0.00 C ATOM 799 O PHE A 760 1.063 -8.314 4.772 1.00 0.00 O ATOM 800 CB PHE A 760 -2.214 -7.799 4.753 1.00 0.00 C ATOM 801 CG PHE A 760 -1.679 -7.274 6.054 1.00 0.00 C ATOM 802 CD1 PHE A 760 -1.171 -8.139 7.010 1.00 0.00 C ATOM 803 CD2 PHE A 760 -1.684 -5.914 6.323 1.00 0.00 C ATOM 804 CE1 PHE A 760 -0.676 -7.659 8.208 1.00 0.00 C ATOM 805 CE2 PHE A 760 -1.191 -5.429 7.519 1.00 0.00 C ATOM 806 CZ PHE A 760 -0.688 -6.302 8.463 1.00 0.00 C ATOM 0 H PHE A 760 -2.685 -9.250 2.816 1.00 0.00 H new ATOM 0 HA PHE A 760 -0.724 -7.351 3.272 1.00 0.00 H new ATOM 0 HB2 PHE A 760 -2.826 -7.029 4.284 1.00 0.00 H new ATOM 0 HB3 PHE A 760 -2.868 -8.647 4.954 1.00 0.00 H new ATOM 0 HD1 PHE A 760 -1.162 -9.202 6.817 1.00 0.00 H new ATOM 0 HD2 PHE A 760 -2.078 -5.226 5.589 1.00 0.00 H new ATOM 0 HE1 PHE A 760 -0.281 -8.344 8.943 1.00 0.00 H new ATOM 0 HE2 PHE A 760 -1.199 -4.367 7.716 1.00 0.00 H new ATOM 0 HZ PHE A 760 -0.305 -5.924 9.399 1.00 0.00 H new ATOM 816 N LYS A 761 -0.200 -10.170 4.904 1.00 0.00 N ATOM 817 CA LYS A 761 0.804 -10.935 5.634 1.00 0.00 C ATOM 818 C LYS A 761 2.106 -11.017 4.843 1.00 0.00 C ATOM 819 O LYS A 761 3.192 -11.057 5.420 1.00 0.00 O ATOM 820 CB LYS A 761 0.286 -12.344 5.931 1.00 0.00 C ATOM 821 CG LYS A 761 -1.038 -12.361 6.675 1.00 0.00 C ATOM 822 CD LYS A 761 -1.268 -13.691 7.374 1.00 0.00 C ATOM 823 CE LYS A 761 -2.105 -13.521 8.632 1.00 0.00 C ATOM 824 NZ LYS A 761 -1.778 -14.549 9.659 1.00 0.00 N ATOM 0 H LYS A 761 -1.062 -10.681 4.713 1.00 0.00 H new ATOM 0 HA LYS A 761 1.002 -10.422 6.575 1.00 0.00 H new ATOM 0 HB2 LYS A 761 0.172 -12.886 4.992 1.00 0.00 H new ATOM 0 HB3 LYS A 761 1.031 -12.879 6.520 1.00 0.00 H new ATOM 0 HG2 LYS A 761 -1.054 -11.556 7.409 1.00 0.00 H new ATOM 0 HG3 LYS A 761 -1.852 -12.171 5.975 1.00 0.00 H new ATOM 0 HD2 LYS A 761 -1.768 -14.380 6.693 1.00 0.00 H new ATOM 0 HD3 LYS A 761 -0.308 -14.139 7.632 1.00 0.00 H new ATOM 0 HE2 LYS A 761 -1.939 -12.527 9.047 1.00 0.00 H new ATOM 0 HE3 LYS A 761 -3.163 -13.587 8.376 1.00 0.00 H new ATOM 0 HZ1 LYS A 761 -2.370 -14.399 10.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 761 -1.961 -15.497 9.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 761 -0.775 -14.470 9.922 1.00 0.00 H new ATOM 838 N ALA A 762 1.989 -11.039 3.519 1.00 0.00 N ATOM 839 CA ALA A 762 3.156 -11.113 2.650 1.00 0.00 C ATOM 840 C ALA A 762 4.195 -10.066 3.037 1.00 0.00 C ATOM 841 O ALA A 762 5.392 -10.252 2.812 1.00 0.00 O ATOM 842 CB ALA A 762 2.744 -10.937 1.196 1.00 0.00 C ATOM 0 H ALA A 762 1.097 -11.007 3.025 1.00 0.00 H new ATOM 0 HA ALA A 762 3.607 -12.098 2.772 1.00 0.00 H new ATOM 0 HB1 ALA A 762 3.626 -10.995 0.558 1.00 0.00 H new ATOM 0 HB2 ALA A 762 2.044 -11.725 0.918 1.00 0.00 H new ATOM 0 HB3 ALA A 762 2.267 -9.965 1.068 1.00 0.00 H new ATOM 848 N ILE A 763 3.731 -8.965 3.619 1.00 0.00 N ATOM 849 CA ILE A 763 4.622 -7.890 4.038 1.00 0.00 C ATOM 850 C ILE A 763 5.176 -8.147 5.435 1.00 0.00 C ATOM 851 O ILE A 763 4.435 -8.502 6.351 1.00 0.00 O ATOM 852 CB ILE A 763 3.903 -6.528 4.026 1.00 0.00 C ATOM 853 CG1 ILE A 763 3.278 -6.268 2.653 1.00 0.00 C ATOM 854 CG2 ILE A 763 4.873 -5.414 4.391 1.00 0.00 C ATOM 855 CD1 ILE A 763 4.298 -6.063 1.555 1.00 0.00 C ATOM 0 H ILE A 763 2.744 -8.794 3.811 1.00 0.00 H new ATOM 0 HA ILE A 763 5.445 -7.865 3.323 1.00 0.00 H new ATOM 0 HB ILE A 763 3.106 -6.548 4.769 1.00 0.00 H new ATOM 0 HG12 ILE A 763 2.636 -7.109 2.390 1.00 0.00 H new ATOM 0 HG13 ILE A 763 2.640 -5.387 2.714 1.00 0.00 H new ATOM 0 HG21 ILE A 763 4.350 -4.458 4.378 1.00 0.00 H new ATOM 0 HG22 ILE A 763 5.276 -5.594 5.388 1.00 0.00 H new ATOM 0 HG23 ILE A 763 5.689 -5.391 3.669 1.00 0.00 H new ATOM 0 HD11 ILE A 763 3.785 -5.884 0.610 1.00 0.00 H new ATOM 0 HD12 ILE A 763 4.924 -5.204 1.796 1.00 0.00 H new ATOM 0 HD13 ILE A 763 4.921 -6.953 1.466 1.00 0.00 H new ATOM 867 N GLU A 764 6.483 -7.963 5.590 1.00 0.00 N ATOM 868 CA GLU A 764 7.137 -8.175 6.876 1.00 0.00 C ATOM 869 C GLU A 764 7.856 -6.910 7.336 1.00 0.00 C ATOM 870 O GLU A 764 7.531 -6.340 8.378 1.00 0.00 O ATOM 871 CB GLU A 764 8.130 -9.335 6.784 1.00 0.00 C ATOM 872 CG GLU A 764 7.565 -10.567 6.099 1.00 0.00 C ATOM 873 CD GLU A 764 6.900 -11.522 7.072 1.00 0.00 C ATOM 874 OE1 GLU A 764 5.903 -11.122 7.708 1.00 0.00 O ATOM 875 OE2 GLU A 764 7.377 -12.670 7.195 1.00 0.00 O ATOM 0 H GLU A 764 7.110 -7.668 4.841 1.00 0.00 H new ATOM 0 HA GLU A 764 6.369 -8.422 7.609 1.00 0.00 H new ATOM 0 HB2 GLU A 764 9.015 -9.002 6.242 1.00 0.00 H new ATOM 0 HB3 GLU A 764 8.454 -9.605 7.789 1.00 0.00 H new ATOM 0 HG2 GLU A 764 6.840 -10.259 5.345 1.00 0.00 H new ATOM 0 HG3 GLU A 764 8.367 -11.087 5.576 1.00 0.00 H new ATOM 882 N LYS A 765 8.836 -6.475 6.551 1.00 0.00 N ATOM 883 CA LYS A 765 9.603 -5.278 6.874 1.00 0.00 C ATOM 884 C LYS A 765 8.684 -4.151 7.333 1.00 0.00 C ATOM 885 O LYS A 765 7.906 -3.612 6.546 1.00 0.00 O ATOM 886 CB LYS A 765 10.416 -4.825 5.659 1.00 0.00 C ATOM 887 CG LYS A 765 11.353 -5.892 5.122 1.00 0.00 C ATOM 888 CD LYS A 765 12.040 -5.439 3.844 1.00 0.00 C ATOM 889 CE LYS A 765 13.127 -6.414 3.420 1.00 0.00 C ATOM 890 NZ LYS A 765 12.572 -7.760 3.103 1.00 0.00 N ATOM 0 H LYS A 765 9.118 -6.935 5.685 1.00 0.00 H new ATOM 0 HA LYS A 765 10.285 -5.522 7.689 1.00 0.00 H new ATOM 0 HB2 LYS A 765 9.731 -4.522 4.867 1.00 0.00 H new ATOM 0 HB3 LYS A 765 10.999 -3.945 5.930 1.00 0.00 H new ATOM 0 HG2 LYS A 765 12.104 -6.130 5.875 1.00 0.00 H new ATOM 0 HG3 LYS A 765 10.792 -6.807 4.930 1.00 0.00 H new ATOM 0 HD2 LYS A 765 11.303 -5.345 3.047 1.00 0.00 H new ATOM 0 HD3 LYS A 765 12.475 -4.451 3.994 1.00 0.00 H new ATOM 0 HE2 LYS A 765 13.647 -6.021 2.547 1.00 0.00 H new ATOM 0 HE3 LYS A 765 13.865 -6.504 4.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 765 13.334 -8.376 2.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 765 12.157 -8.175 3.961 1.00 0.00 H new ATOM 0 HZ3 LYS A 765 11.837 -7.669 2.372 1.00 0.00 H new ATOM 904 N MET A 766 8.780 -3.799 8.611 1.00 0.00 N ATOM 905 CA MET A 766 7.958 -2.733 9.174 1.00 0.00 C ATOM 906 C MET A 766 8.027 -1.479 8.308 1.00 0.00 C ATOM 907 O MET A 766 7.000 -0.940 7.896 1.00 0.00 O ATOM 908 CB MET A 766 8.411 -2.409 10.599 1.00 0.00 C ATOM 909 CG MET A 766 7.337 -1.738 11.440 1.00 0.00 C ATOM 910 SD MET A 766 7.666 -1.855 13.209 1.00 0.00 S ATOM 911 CE MET A 766 6.016 -1.653 13.874 1.00 0.00 C ATOM 0 H MET A 766 9.418 -4.236 9.276 1.00 0.00 H new ATOM 0 HA MET A 766 6.925 -3.079 9.199 1.00 0.00 H new ATOM 0 HB2 MET A 766 8.723 -3.330 11.091 1.00 0.00 H new ATOM 0 HB3 MET A 766 9.285 -1.759 10.555 1.00 0.00 H new ATOM 0 HG2 MET A 766 7.263 -0.688 11.157 1.00 0.00 H new ATOM 0 HG3 MET A 766 6.372 -2.196 11.223 1.00 0.00 H new ATOM 0 HE1 MET A 766 6.054 -1.702 14.962 1.00 0.00 H new ATOM 0 HE2 MET A 766 5.616 -0.686 13.568 1.00 0.00 H new ATOM 0 HE3 MET A 766 5.372 -2.448 13.497 1.00 0.00 H new ATOM 921 N LYS A 767 9.243 -1.019 8.036 1.00 0.00 N ATOM 922 CA LYS A 767 9.447 0.171 7.219 1.00 0.00 C ATOM 923 C LYS A 767 8.524 0.161 6.005 1.00 0.00 C ATOM 924 O LYS A 767 7.945 1.187 5.646 1.00 0.00 O ATOM 925 CB LYS A 767 10.905 0.258 6.763 1.00 0.00 C ATOM 926 CG LYS A 767 11.226 1.526 5.991 1.00 0.00 C ATOM 927 CD LYS A 767 12.659 1.524 5.486 1.00 0.00 C ATOM 928 CE LYS A 767 13.084 2.904 5.008 1.00 0.00 C ATOM 929 NZ LYS A 767 13.539 3.765 6.135 1.00 0.00 N ATOM 0 H LYS A 767 10.104 -1.453 8.370 1.00 0.00 H new ATOM 0 HA LYS A 767 9.210 1.044 7.827 1.00 0.00 H new ATOM 0 HB2 LYS A 767 11.554 0.200 7.637 1.00 0.00 H new ATOM 0 HB3 LYS A 767 11.134 -0.605 6.138 1.00 0.00 H new ATOM 0 HG2 LYS A 767 10.542 1.622 5.148 1.00 0.00 H new ATOM 0 HG3 LYS A 767 11.066 2.393 6.632 1.00 0.00 H new ATOM 0 HD2 LYS A 767 13.326 1.192 6.282 1.00 0.00 H new ATOM 0 HD3 LYS A 767 12.757 0.809 4.669 1.00 0.00 H new ATOM 0 HE2 LYS A 767 13.888 2.804 4.279 1.00 0.00 H new ATOM 0 HE3 LYS A 767 12.249 3.385 4.498 1.00 0.00 H new ATOM 0 HZ1 LYS A 767 13.820 4.697 5.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 767 12.763 3.881 6.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 767 14.352 3.319 6.606 1.00 0.00 H new ATOM 943 N ASP A 768 8.390 -1.002 5.378 1.00 0.00 N ATOM 944 CA ASP A 768 7.535 -1.145 4.205 1.00 0.00 C ATOM 945 C ASP A 768 6.067 -0.962 4.578 1.00 0.00 C ATOM 946 O ASP A 768 5.334 -0.231 3.911 1.00 0.00 O ATOM 947 CB ASP A 768 7.743 -2.516 3.560 1.00 0.00 C ATOM 948 CG ASP A 768 8.951 -2.548 2.644 1.00 0.00 C ATOM 949 OD1 ASP A 768 10.086 -2.599 3.162 1.00 0.00 O ATOM 950 OD2 ASP A 768 8.761 -2.520 1.410 1.00 0.00 O ATOM 0 H ASP A 768 8.863 -1.860 5.662 1.00 0.00 H new ATOM 0 HA ASP A 768 7.809 -0.370 3.489 1.00 0.00 H new ATOM 0 HB2 ASP A 768 7.863 -3.267 4.341 1.00 0.00 H new ATOM 0 HB3 ASP A 768 6.853 -2.786 2.992 1.00 0.00 H new ATOM 955 N ARG A 769 5.645 -1.631 5.646 1.00 0.00 N ATOM 956 CA ARG A 769 4.264 -1.543 6.105 1.00 0.00 C ATOM 957 C ARG A 769 3.855 -0.090 6.324 1.00 0.00 C ATOM 958 O ARG A 769 2.797 0.342 5.867 1.00 0.00 O ATOM 959 CB ARG A 769 4.085 -2.335 7.402 1.00 0.00 C ATOM 960 CG ARG A 769 4.040 -3.840 7.196 1.00 0.00 C ATOM 961 CD ARG A 769 4.184 -4.588 8.512 1.00 0.00 C ATOM 962 NE ARG A 769 2.915 -4.684 9.228 1.00 0.00 N ATOM 963 CZ ARG A 769 2.804 -5.153 10.466 1.00 0.00 C ATOM 964 NH1 ARG A 769 3.880 -5.566 11.121 1.00 0.00 N ATOM 965 NH2 ARG A 769 1.614 -5.210 11.051 1.00 0.00 N ATOM 0 H ARG A 769 6.239 -2.239 6.209 1.00 0.00 H new ATOM 0 HA ARG A 769 3.623 -1.970 5.334 1.00 0.00 H new ATOM 0 HB2 ARG A 769 4.903 -2.094 8.081 1.00 0.00 H new ATOM 0 HB3 ARG A 769 3.163 -2.016 7.888 1.00 0.00 H new ATOM 0 HG2 ARG A 769 3.098 -4.115 6.721 1.00 0.00 H new ATOM 0 HG3 ARG A 769 4.839 -4.139 6.517 1.00 0.00 H new ATOM 0 HD2 ARG A 769 4.568 -5.590 8.320 1.00 0.00 H new ATOM 0 HD3 ARG A 769 4.917 -4.080 9.139 1.00 0.00 H new ATOM 0 HE ARG A 769 2.068 -4.374 8.752 1.00 0.00 H new ATOM 0 HH11 ARG A 769 4.796 -5.524 10.675 1.00 0.00 H new ATOM 0 HH12 ARG A 769 3.792 -5.926 12.071 1.00 0.00 H new ATOM 0 HH21 ARG A 769 0.784 -4.894 10.550 1.00 0.00 H new ATOM 0 HH22 ARG A 769 1.530 -5.570 12.002 1.00 0.00 H new ATOM 979 N GLU A 770 4.700 0.659 7.025 1.00 0.00 N ATOM 980 CA GLU A 770 4.425 2.064 7.304 1.00 0.00 C ATOM 981 C GLU A 770 4.550 2.905 6.038 1.00 0.00 C ATOM 982 O GLU A 770 3.590 3.541 5.604 1.00 0.00 O ATOM 983 CB GLU A 770 5.380 2.590 8.377 1.00 0.00 C ATOM 984 CG GLU A 770 4.795 3.714 9.216 1.00 0.00 C ATOM 985 CD GLU A 770 5.823 4.362 10.123 1.00 0.00 C ATOM 986 OE1 GLU A 770 6.247 3.709 11.099 1.00 0.00 O ATOM 987 OE2 GLU A 770 6.203 5.521 9.857 1.00 0.00 O ATOM 0 H GLU A 770 5.580 0.317 7.410 1.00 0.00 H new ATOM 0 HA GLU A 770 3.401 2.142 7.670 1.00 0.00 H new ATOM 0 HB2 GLU A 770 5.663 1.768 9.034 1.00 0.00 H new ATOM 0 HB3 GLU A 770 6.293 2.944 7.897 1.00 0.00 H new ATOM 0 HG2 GLU A 770 4.370 4.471 8.557 1.00 0.00 H new ATOM 0 HG3 GLU A 770 3.977 3.323 9.821 1.00 0.00 H new ATOM 994 N ALA A 771 5.742 2.904 5.449 1.00 0.00 N ATOM 995 CA ALA A 771 5.994 3.665 4.232 1.00 0.00 C ATOM 996 C ALA A 771 4.881 3.453 3.212 1.00 0.00 C ATOM 997 O ALA A 771 4.317 4.413 2.684 1.00 0.00 O ATOM 998 CB ALA A 771 7.339 3.278 3.637 1.00 0.00 C ATOM 0 H ALA A 771 6.548 2.384 5.796 1.00 0.00 H new ATOM 0 HA ALA A 771 6.015 4.723 4.492 1.00 0.00 H new ATOM 0 HB1 ALA A 771 7.514 3.854 2.728 1.00 0.00 H new ATOM 0 HB2 ALA A 771 8.129 3.488 4.358 1.00 0.00 H new ATOM 0 HB3 ALA A 771 7.339 2.215 3.398 1.00 0.00 H new ATOM 1004 N LEU A 772 4.570 2.191 2.937 1.00 0.00 N ATOM 1005 CA LEU A 772 3.523 1.853 1.978 1.00 0.00 C ATOM 1006 C LEU A 772 2.198 2.501 2.366 1.00 0.00 C ATOM 1007 O LEU A 772 1.623 3.271 1.597 1.00 0.00 O ATOM 1008 CB LEU A 772 3.355 0.335 1.891 1.00 0.00 C ATOM 1009 CG LEU A 772 4.534 -0.438 1.299 1.00 0.00 C ATOM 1010 CD1 LEU A 772 4.471 -1.902 1.705 1.00 0.00 C ATOM 1011 CD2 LEU A 772 4.552 -0.304 -0.217 1.00 0.00 C ATOM 0 H LEU A 772 5.027 1.385 3.364 1.00 0.00 H new ATOM 0 HA LEU A 772 3.821 2.236 1.002 1.00 0.00 H new ATOM 0 HB2 LEU A 772 3.163 -0.047 2.893 1.00 0.00 H new ATOM 0 HB3 LEU A 772 2.469 0.121 1.293 1.00 0.00 H new ATOM 0 HG LEU A 772 5.457 -0.012 1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 772 5.318 -2.436 1.274 1.00 0.00 H new ATOM 0 HD12 LEU A 772 4.507 -1.980 2.792 1.00 0.00 H new ATOM 0 HD13 LEU A 772 3.542 -2.341 1.341 1.00 0.00 H new ATOM 0 HD21 LEU A 772 5.398 -0.860 -0.621 1.00 0.00 H new ATOM 0 HD22 LEU A 772 3.625 -0.703 -0.629 1.00 0.00 H new ATOM 0 HD23 LEU A 772 4.646 0.747 -0.488 1.00 0.00 H new ATOM 1023 N PHE A 773 1.721 2.186 3.565 1.00 0.00 N ATOM 1024 CA PHE A 773 0.464 2.739 4.057 1.00 0.00 C ATOM 1025 C PHE A 773 0.490 4.264 4.023 1.00 0.00 C ATOM 1026 O PHE A 773 -0.283 4.893 3.301 1.00 0.00 O ATOM 1027 CB PHE A 773 0.192 2.254 5.482 1.00 0.00 C ATOM 1028 CG PHE A 773 -1.108 2.752 6.047 1.00 0.00 C ATOM 1029 CD1 PHE A 773 -2.312 2.203 5.638 1.00 0.00 C ATOM 1030 CD2 PHE A 773 -1.125 3.769 6.988 1.00 0.00 C ATOM 1031 CE1 PHE A 773 -3.509 2.661 6.155 1.00 0.00 C ATOM 1032 CE2 PHE A 773 -2.319 4.230 7.510 1.00 0.00 C ATOM 1033 CZ PHE A 773 -3.513 3.674 7.093 1.00 0.00 C ATOM 0 H PHE A 773 2.185 1.551 4.214 1.00 0.00 H new ATOM 0 HA PHE A 773 -0.337 2.392 3.404 1.00 0.00 H new ATOM 0 HB2 PHE A 773 0.189 1.164 5.492 1.00 0.00 H new ATOM 0 HB3 PHE A 773 1.008 2.577 6.129 1.00 0.00 H new ATOM 0 HD1 PHE A 773 -2.315 1.408 4.907 1.00 0.00 H new ATOM 0 HD2 PHE A 773 -0.194 4.207 7.317 1.00 0.00 H new ATOM 0 HE1 PHE A 773 -4.441 2.227 5.825 1.00 0.00 H new ATOM 0 HE2 PHE A 773 -2.319 5.024 8.243 1.00 0.00 H new ATOM 0 HZ PHE A 773 -4.448 4.031 7.500 1.00 0.00 H new ATOM 1043 N ASN A 774 1.385 4.852 4.809 1.00 0.00 N ATOM 1044 CA ASN A 774 1.513 6.304 4.870 1.00 0.00 C ATOM 1045 C ASN A 774 1.247 6.931 3.505 1.00 0.00 C ATOM 1046 O ASN A 774 0.274 7.663 3.327 1.00 0.00 O ATOM 1047 CB ASN A 774 2.908 6.694 5.360 1.00 0.00 C ATOM 1048 CG ASN A 774 3.032 6.624 6.870 1.00 0.00 C ATOM 1049 OD1 ASN A 774 2.031 6.642 7.587 1.00 0.00 O ATOM 1050 ND2 ASN A 774 4.263 6.545 7.360 1.00 0.00 N ATOM 0 H ASN A 774 2.033 4.346 5.413 1.00 0.00 H new ATOM 0 HA ASN A 774 0.770 6.680 5.574 1.00 0.00 H new ATOM 0 HB2 ASN A 774 3.647 6.033 4.907 1.00 0.00 H new ATOM 0 HB3 ASN A 774 3.138 7.706 5.026 1.00 0.00 H new ATOM 0 HD21 ASN A 774 4.408 6.496 8.368 1.00 0.00 H new ATOM 0 HD22 ASN A 774 5.064 6.533 6.728 1.00 0.00 H new ATOM 1057 N GLU A 775 2.119 6.638 2.545 1.00 0.00 N ATOM 1058 CA GLU A 775 1.977 7.174 1.197 1.00 0.00 C ATOM 1059 C GLU A 775 0.547 7.009 0.692 1.00 0.00 C ATOM 1060 O GLU A 775 -0.070 7.962 0.216 1.00 0.00 O ATOM 1061 CB GLU A 775 2.950 6.477 0.243 1.00 0.00 C ATOM 1062 CG GLU A 775 2.805 6.918 -1.204 1.00 0.00 C ATOM 1063 CD GLU A 775 2.776 8.427 -1.354 1.00 0.00 C ATOM 1064 OE1 GLU A 775 3.789 9.075 -1.015 1.00 0.00 O ATOM 1065 OE2 GLU A 775 1.742 8.960 -1.808 1.00 0.00 O ATOM 0 H GLU A 775 2.930 6.033 2.676 1.00 0.00 H new ATOM 0 HA GLU A 775 2.210 8.238 1.231 1.00 0.00 H new ATOM 0 HB2 GLU A 775 3.971 6.671 0.573 1.00 0.00 H new ATOM 0 HB3 GLU A 775 2.795 5.400 0.303 1.00 0.00 H new ATOM 0 HG2 GLU A 775 3.632 6.514 -1.788 1.00 0.00 H new ATOM 0 HG3 GLU A 775 1.888 6.498 -1.618 1.00 0.00 H new ATOM 1072 N PHE A 776 0.025 5.791 0.800 1.00 0.00 N ATOM 1073 CA PHE A 776 -1.333 5.499 0.354 1.00 0.00 C ATOM 1074 C PHE A 776 -2.320 6.519 0.914 1.00 0.00 C ATOM 1075 O PHE A 776 -2.962 7.255 0.164 1.00 0.00 O ATOM 1076 CB PHE A 776 -1.741 4.089 0.784 1.00 0.00 C ATOM 1077 CG PHE A 776 -3.121 3.701 0.334 1.00 0.00 C ATOM 1078 CD1 PHE A 776 -4.240 4.237 0.951 1.00 0.00 C ATOM 1079 CD2 PHE A 776 -3.298 2.801 -0.704 1.00 0.00 C ATOM 1080 CE1 PHE A 776 -5.511 3.881 0.540 1.00 0.00 C ATOM 1081 CE2 PHE A 776 -4.567 2.442 -1.120 1.00 0.00 C ATOM 1082 CZ PHE A 776 -5.674 2.984 -0.497 1.00 0.00 C ATOM 0 H PHE A 776 0.521 4.991 1.192 1.00 0.00 H new ATOM 0 HA PHE A 776 -1.353 5.560 -0.734 1.00 0.00 H new ATOM 0 HB2 PHE A 776 -1.022 3.374 0.384 1.00 0.00 H new ATOM 0 HB3 PHE A 776 -1.689 4.020 1.871 1.00 0.00 H new ATOM 0 HD1 PHE A 776 -4.118 4.940 1.761 1.00 0.00 H new ATOM 0 HD2 PHE A 776 -2.435 2.375 -1.194 1.00 0.00 H new ATOM 0 HE1 PHE A 776 -6.376 4.304 1.030 1.00 0.00 H new ATOM 0 HE2 PHE A 776 -4.692 1.739 -1.930 1.00 0.00 H new ATOM 0 HZ PHE A 776 -6.666 2.706 -0.821 1.00 0.00 H new ATOM 1092 N VAL A 777 -2.437 6.557 2.237 1.00 0.00 N ATOM 1093 CA VAL A 777 -3.345 7.486 2.899 1.00 0.00 C ATOM 1094 C VAL A 777 -3.035 8.927 2.512 1.00 0.00 C ATOM 1095 O VAL A 777 -3.920 9.782 2.499 1.00 0.00 O ATOM 1096 CB VAL A 777 -3.269 7.350 4.431 1.00 0.00 C ATOM 1097 CG1 VAL A 777 -3.603 5.929 4.858 1.00 0.00 C ATOM 1098 CG2 VAL A 777 -1.893 7.757 4.934 1.00 0.00 C ATOM 0 H VAL A 777 -1.914 5.955 2.872 1.00 0.00 H new ATOM 0 HA VAL A 777 -4.352 7.233 2.569 1.00 0.00 H new ATOM 0 HB VAL A 777 -4.006 8.020 4.875 1.00 0.00 H new ATOM 0 HG11 VAL A 777 -3.544 5.852 5.944 1.00 0.00 H new ATOM 0 HG12 VAL A 777 -4.612 5.678 4.531 1.00 0.00 H new ATOM 0 HG13 VAL A 777 -2.893 5.237 4.406 1.00 0.00 H new ATOM 0 HG21 VAL A 777 -1.857 7.655 6.019 1.00 0.00 H new ATOM 0 HG22 VAL A 777 -1.136 7.115 4.484 1.00 0.00 H new ATOM 0 HG23 VAL A 777 -1.698 8.794 4.661 1.00 0.00 H new ATOM 1108 N ALA A 778 -1.771 9.190 2.195 1.00 0.00 N ATOM 1109 CA ALA A 778 -1.344 10.528 1.805 1.00 0.00 C ATOM 1110 C ALA A 778 -2.052 10.981 0.533 1.00 0.00 C ATOM 1111 O ALA A 778 -2.479 12.130 0.425 1.00 0.00 O ATOM 1112 CB ALA A 778 0.165 10.565 1.612 1.00 0.00 C ATOM 0 H ALA A 778 -1.025 8.494 2.201 1.00 0.00 H new ATOM 0 HA ALA A 778 -1.614 11.217 2.606 1.00 0.00 H new ATOM 0 HB1 ALA A 778 0.470 11.570 1.321 1.00 0.00 H new ATOM 0 HB2 ALA A 778 0.658 10.292 2.545 1.00 0.00 H new ATOM 0 HB3 ALA A 778 0.449 9.859 0.832 1.00 0.00 H new ATOM 1118 N ALA A 779 -2.173 10.071 -0.428 1.00 0.00 N ATOM 1119 CA ALA A 779 -2.831 10.378 -1.692 1.00 0.00 C ATOM 1120 C ALA A 779 -4.335 10.141 -1.600 1.00 0.00 C ATOM 1121 O ALA A 779 -5.124 10.860 -2.210 1.00 0.00 O ATOM 1122 CB ALA A 779 -2.231 9.545 -2.815 1.00 0.00 C ATOM 0 H ALA A 779 -1.824 9.115 -0.355 1.00 0.00 H new ATOM 0 HA ALA A 779 -2.669 11.433 -1.911 1.00 0.00 H new ATOM 0 HB1 ALA A 779 -2.732 9.784 -3.753 1.00 0.00 H new ATOM 0 HB2 ALA A 779 -1.168 9.767 -2.904 1.00 0.00 H new ATOM 0 HB3 ALA A 779 -2.363 8.486 -2.593 1.00 0.00 H new ATOM 1128 N ALA A 780 -4.723 9.127 -0.833 1.00 0.00 N ATOM 1129 CA ALA A 780 -6.132 8.796 -0.661 1.00 0.00 C ATOM 1130 C ALA A 780 -6.911 9.984 -0.106 1.00 0.00 C ATOM 1131 O ALA A 780 -7.989 10.316 -0.599 1.00 0.00 O ATOM 1132 CB ALA A 780 -6.282 7.590 0.254 1.00 0.00 C ATOM 0 H ALA A 780 -4.082 8.521 -0.321 1.00 0.00 H new ATOM 0 HA ALA A 780 -6.545 8.550 -1.639 1.00 0.00 H new ATOM 0 HB1 ALA A 780 -7.339 7.354 0.374 1.00 0.00 H new ATOM 0 HB2 ALA A 780 -5.766 6.735 -0.183 1.00 0.00 H new ATOM 0 HB3 ALA A 780 -5.848 7.816 1.228 1.00 0.00 H new ATOM 1138 N ARG A 781 -6.359 10.619 0.923 1.00 0.00 N ATOM 1139 CA ARG A 781 -7.003 11.769 1.546 1.00 0.00 C ATOM 1140 C ARG A 781 -7.240 12.878 0.525 1.00 0.00 C ATOM 1141 O ARG A 781 -6.729 12.827 -0.594 1.00 0.00 O ATOM 1142 CB ARG A 781 -6.149 12.296 2.700 1.00 0.00 C ATOM 1143 CG ARG A 781 -4.797 12.833 2.261 1.00 0.00 C ATOM 1144 CD ARG A 781 -3.793 12.815 3.403 1.00 0.00 C ATOM 1145 NE ARG A 781 -4.077 13.846 4.397 1.00 0.00 N ATOM 1146 CZ ARG A 781 -3.593 13.827 5.634 1.00 0.00 C ATOM 1147 NH1 ARG A 781 -2.805 12.836 6.026 1.00 0.00 N ATOM 1148 NH2 ARG A 781 -3.897 14.802 6.482 1.00 0.00 N ATOM 0 H ARG A 781 -5.467 10.356 1.343 1.00 0.00 H new ATOM 0 HA ARG A 781 -7.968 11.446 1.936 1.00 0.00 H new ATOM 0 HB2 ARG A 781 -6.695 13.087 3.213 1.00 0.00 H new ATOM 0 HB3 ARG A 781 -5.995 11.494 3.422 1.00 0.00 H new ATOM 0 HG2 ARG A 781 -4.418 12.234 1.433 1.00 0.00 H new ATOM 0 HG3 ARG A 781 -4.912 13.852 1.892 1.00 0.00 H new ATOM 0 HD2 ARG A 781 -3.806 11.836 3.882 1.00 0.00 H new ATOM 0 HD3 ARG A 781 -2.789 12.962 3.005 1.00 0.00 H new ATOM 0 HE ARG A 781 -4.680 14.623 4.127 1.00 0.00 H new ATOM 0 HH11 ARG A 781 -2.569 12.085 5.377 1.00 0.00 H new ATOM 0 HH12 ARG A 781 -2.435 12.824 6.976 1.00 0.00 H new ATOM 0 HH21 ARG A 781 -4.503 15.567 6.184 1.00 0.00 H new ATOM 0 HH22 ARG A 781 -3.525 14.786 7.432 1.00 0.00 H new