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 X(o=0,f=0) USER MOD Single : A 729 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 733 LYS NZ :NH3+ -165:sc=-0.000628 (180deg=-0.129) USER MOD Single : A 734 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0255) USER MOD Single : A 735 MET CE :methyl -152:sc= -4.58! (180deg=-7!) USER MOD Single : A 736 MET CE :methyl -165:sc= -2.46! (180deg=-2.96) USER MOD Single : A 740 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 742 ASN : amide:sc= -1.51 X(o=-1.5,f=-1.2!) USER MOD Single : A 746 THR OG1 : rot 180:sc= -0.207 USER MOD Single : A 748 SER OG : rot 180:sc= 0 USER MOD Single : A 753 LYS NZ :NH3+ 159:sc= -0.0477 (180deg=-0.323) 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= 0.00704 USER MOD Single : A 761 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 765 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 766 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 767 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 774 ASN : amide:sc= -2.6 X(o=-2.6,f=-2.9!) USER MOD ----------------------------------------------------------------- ATOM 224 N ILE A 725 9.920 -8.931 -4.419 1.00 0.00 N ATOM 225 CA ILE A 725 9.619 -7.582 -3.958 1.00 0.00 C ATOM 226 C ILE A 725 8.396 -7.017 -4.673 1.00 0.00 C ATOM 227 O ILE A 725 7.408 -6.650 -4.039 1.00 0.00 O ATOM 228 CB ILE A 725 10.812 -6.633 -4.177 1.00 0.00 C ATOM 229 CG1 ILE A 725 12.012 -7.085 -3.343 1.00 0.00 C ATOM 230 CG2 ILE A 725 10.424 -5.204 -3.826 1.00 0.00 C ATOM 231 CD1 ILE A 725 13.323 -6.481 -3.793 1.00 0.00 C ATOM 0 HA ILE A 725 9.412 -7.652 -2.890 1.00 0.00 H new ATOM 0 HB ILE A 725 11.093 -6.664 -5.230 1.00 0.00 H new ATOM 0 HG12 ILE A 725 11.839 -6.821 -2.300 1.00 0.00 H new ATOM 0 HG13 ILE A 725 12.087 -8.171 -3.389 1.00 0.00 H new ATOM 0 HG21 ILE A 725 11.278 -4.545 -3.986 1.00 0.00 H new ATOM 0 HG22 ILE A 725 9.596 -4.886 -4.460 1.00 0.00 H new ATOM 0 HG23 ILE A 725 10.120 -5.156 -2.780 1.00 0.00 H new ATOM 0 HD11 ILE A 725 14.129 -6.846 -3.157 1.00 0.00 H new ATOM 0 HD12 ILE A 725 13.519 -6.766 -4.827 1.00 0.00 H new ATOM 0 HD13 ILE A 725 13.267 -5.395 -3.721 1.00 0.00 H new ATOM 243 N MET A 726 8.470 -6.952 -5.999 1.00 0.00 N ATOM 244 CA MET A 726 7.368 -6.435 -6.801 1.00 0.00 C ATOM 245 C MET A 726 6.095 -7.240 -6.559 1.00 0.00 C ATOM 246 O MET A 726 5.038 -6.675 -6.277 1.00 0.00 O ATOM 247 CB MET A 726 7.731 -6.468 -8.287 1.00 0.00 C ATOM 248 CG MET A 726 8.728 -5.395 -8.693 1.00 0.00 C ATOM 249 SD MET A 726 7.959 -3.779 -8.911 1.00 0.00 S ATOM 250 CE MET A 726 9.207 -2.939 -9.884 1.00 0.00 C ATOM 0 H MET A 726 9.281 -7.251 -6.540 1.00 0.00 H new ATOM 0 HA MET A 726 7.187 -5.403 -6.501 1.00 0.00 H new ATOM 0 HB2 MET A 726 8.144 -7.447 -8.530 1.00 0.00 H new ATOM 0 HB3 MET A 726 6.822 -6.350 -8.877 1.00 0.00 H new ATOM 0 HG2 MET A 726 9.507 -5.323 -7.934 1.00 0.00 H new ATOM 0 HG3 MET A 726 9.215 -5.690 -9.623 1.00 0.00 H new ATOM 0 HE1 MET A 726 8.877 -1.923 -10.101 1.00 0.00 H new ATOM 0 HE2 MET A 726 10.142 -2.905 -9.325 1.00 0.00 H new ATOM 0 HE3 MET A 726 9.363 -3.477 -10.819 1.00 0.00 H new ATOM 260 N GLN A 727 6.204 -8.560 -6.670 1.00 0.00 N ATOM 261 CA GLN A 727 5.061 -9.440 -6.464 1.00 0.00 C ATOM 262 C GLN A 727 4.294 -9.051 -5.205 1.00 0.00 C ATOM 263 O GLN A 727 3.117 -8.696 -5.268 1.00 0.00 O ATOM 264 CB GLN A 727 5.522 -10.895 -6.365 1.00 0.00 C ATOM 265 CG GLN A 727 4.421 -11.904 -6.649 1.00 0.00 C ATOM 266 CD GLN A 727 4.872 -13.336 -6.437 1.00 0.00 C ATOM 267 OE1 GLN A 727 5.649 -13.877 -7.223 1.00 0.00 O ATOM 268 NE2 GLN A 727 4.385 -13.958 -5.369 1.00 0.00 N ATOM 0 H GLN A 727 7.072 -9.043 -6.901 1.00 0.00 H new ATOM 0 HA GLN A 727 4.395 -9.335 -7.320 1.00 0.00 H new ATOM 0 HB2 GLN A 727 6.341 -11.056 -7.066 1.00 0.00 H new ATOM 0 HB3 GLN A 727 5.918 -11.074 -5.366 1.00 0.00 H new ATOM 0 HG2 GLN A 727 3.568 -11.696 -6.003 1.00 0.00 H new ATOM 0 HG3 GLN A 727 4.079 -11.783 -7.677 1.00 0.00 H new ATOM 0 HE21 GLN A 727 3.743 -13.471 -4.744 1.00 0.00 H new ATOM 0 HE22 GLN A 727 4.653 -14.923 -5.174 1.00 0.00 H new ATOM 277 N ALA A 728 4.968 -9.121 -4.062 1.00 0.00 N ATOM 278 CA ALA A 728 4.350 -8.775 -2.788 1.00 0.00 C ATOM 279 C ALA A 728 3.816 -7.346 -2.808 1.00 0.00 C ATOM 280 O ALA A 728 2.614 -7.120 -2.671 1.00 0.00 O ATOM 281 CB ALA A 728 5.348 -8.952 -1.652 1.00 0.00 C ATOM 0 H ALA A 728 5.942 -9.414 -3.992 1.00 0.00 H new ATOM 0 HA ALA A 728 3.508 -9.448 -2.625 1.00 0.00 H new ATOM 0 HB1 ALA A 728 4.873 -8.690 -0.706 1.00 0.00 H new ATOM 0 HB2 ALA A 728 5.679 -9.990 -1.617 1.00 0.00 H new ATOM 0 HB3 ALA A 728 6.208 -8.303 -1.818 1.00 0.00 H new ATOM 287 N LYS A 729 4.718 -6.385 -2.978 1.00 0.00 N ATOM 288 CA LYS A 729 4.338 -4.978 -3.016 1.00 0.00 C ATOM 289 C LYS A 729 3.082 -4.776 -3.857 1.00 0.00 C ATOM 290 O LYS A 729 2.225 -3.958 -3.522 1.00 0.00 O ATOM 291 CB LYS A 729 5.483 -4.134 -3.580 1.00 0.00 C ATOM 292 CG LYS A 729 6.446 -3.629 -2.520 1.00 0.00 C ATOM 293 CD LYS A 729 7.293 -2.479 -3.038 1.00 0.00 C ATOM 294 CE LYS A 729 7.967 -1.727 -1.901 1.00 0.00 C ATOM 295 NZ LYS A 729 9.051 -0.831 -2.394 1.00 0.00 N ATOM 0 H LYS A 729 5.717 -6.555 -3.092 1.00 0.00 H new ATOM 0 HA LYS A 729 4.127 -4.657 -1.996 1.00 0.00 H new ATOM 0 HB2 LYS A 729 6.036 -4.727 -4.308 1.00 0.00 H new ATOM 0 HB3 LYS A 729 5.065 -3.281 -4.115 1.00 0.00 H new ATOM 0 HG2 LYS A 729 5.886 -3.303 -1.644 1.00 0.00 H new ATOM 0 HG3 LYS A 729 7.095 -4.444 -2.199 1.00 0.00 H new ATOM 0 HD2 LYS A 729 8.051 -2.863 -3.721 1.00 0.00 H new ATOM 0 HD3 LYS A 729 6.667 -1.793 -3.609 1.00 0.00 H new ATOM 0 HE2 LYS A 729 7.224 -1.137 -1.365 1.00 0.00 H new ATOM 0 HE3 LYS A 729 8.381 -2.441 -1.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 729 9.486 -0.336 -1.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 729 9.773 -1.397 -2.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 729 8.652 -0.134 -3.054 1.00 0.00 H new ATOM 309 N GLU A 730 2.979 -5.527 -4.949 1.00 0.00 N ATOM 310 CA GLU A 730 1.826 -5.429 -5.836 1.00 0.00 C ATOM 311 C GLU A 730 0.545 -5.832 -5.111 1.00 0.00 C ATOM 312 O GLU A 730 -0.435 -5.087 -5.099 1.00 0.00 O ATOM 313 CB GLU A 730 2.027 -6.314 -7.068 1.00 0.00 C ATOM 314 CG GLU A 730 2.713 -5.604 -8.223 1.00 0.00 C ATOM 315 CD GLU A 730 2.684 -6.412 -9.506 1.00 0.00 C ATOM 316 OE1 GLU A 730 1.631 -7.015 -9.802 1.00 0.00 O ATOM 317 OE2 GLU A 730 3.713 -6.441 -10.212 1.00 0.00 O ATOM 0 H GLU A 730 3.679 -6.209 -5.240 1.00 0.00 H new ATOM 0 HA GLU A 730 1.732 -4.391 -6.154 1.00 0.00 H new ATOM 0 HB2 GLU A 730 2.618 -7.186 -6.786 1.00 0.00 H new ATOM 0 HB3 GLU A 730 1.057 -6.681 -7.403 1.00 0.00 H new ATOM 0 HG2 GLU A 730 2.228 -4.643 -8.393 1.00 0.00 H new ATOM 0 HG3 GLU A 730 3.748 -5.396 -7.953 1.00 0.00 H new ATOM 324 N ASP A 731 0.561 -7.015 -4.507 1.00 0.00 N ATOM 325 CA ASP A 731 -0.598 -7.518 -3.779 1.00 0.00 C ATOM 326 C ASP A 731 -1.050 -6.517 -2.720 1.00 0.00 C ATOM 327 O ASP A 731 -2.246 -6.308 -2.519 1.00 0.00 O ATOM 328 CB ASP A 731 -0.273 -8.861 -3.124 1.00 0.00 C ATOM 329 CG ASP A 731 0.086 -9.928 -4.139 1.00 0.00 C ATOM 330 OD1 ASP A 731 -0.450 -9.880 -5.266 1.00 0.00 O ATOM 331 OD2 ASP A 731 0.903 -10.812 -3.806 1.00 0.00 O ATOM 0 H ASP A 731 1.364 -7.644 -4.507 1.00 0.00 H new ATOM 0 HA ASP A 731 -1.411 -7.658 -4.491 1.00 0.00 H new ATOM 0 HB2 ASP A 731 0.556 -8.732 -2.429 1.00 0.00 H new ATOM 0 HB3 ASP A 731 -1.131 -9.194 -2.539 1.00 0.00 H new ATOM 336 N PHE A 732 -0.085 -5.902 -2.044 1.00 0.00 N ATOM 337 CA PHE A 732 -0.383 -4.925 -1.004 1.00 0.00 C ATOM 338 C PHE A 732 -0.949 -3.643 -1.608 1.00 0.00 C ATOM 339 O PHE A 732 -2.098 -3.280 -1.358 1.00 0.00 O ATOM 340 CB PHE A 732 0.877 -4.609 -0.195 1.00 0.00 C ATOM 341 CG PHE A 732 0.625 -3.704 0.977 1.00 0.00 C ATOM 342 CD1 PHE A 732 -0.168 -4.123 2.034 1.00 0.00 C ATOM 343 CD2 PHE A 732 1.181 -2.436 1.023 1.00 0.00 C ATOM 344 CE1 PHE A 732 -0.401 -3.294 3.115 1.00 0.00 C ATOM 345 CE2 PHE A 732 0.951 -1.603 2.101 1.00 0.00 C ATOM 346 CZ PHE A 732 0.159 -2.031 3.148 1.00 0.00 C ATOM 0 H PHE A 732 0.910 -6.063 -2.198 1.00 0.00 H new ATOM 0 HA PHE A 732 -1.133 -5.355 -0.341 1.00 0.00 H new ATOM 0 HB2 PHE A 732 1.313 -5.542 0.163 1.00 0.00 H new ATOM 0 HB3 PHE A 732 1.613 -4.145 -0.851 1.00 0.00 H new ATOM 0 HD1 PHE A 732 -0.609 -5.109 2.013 1.00 0.00 H new ATOM 0 HD2 PHE A 732 1.801 -2.095 0.207 1.00 0.00 H new ATOM 0 HE1 PHE A 732 -1.020 -3.633 3.933 1.00 0.00 H new ATOM 0 HE2 PHE A 732 1.391 -0.617 2.125 1.00 0.00 H new ATOM 0 HZ PHE A 732 -0.022 -1.380 3.991 1.00 0.00 H new ATOM 356 N LYS A 733 -0.132 -2.961 -2.404 1.00 0.00 N ATOM 357 CA LYS A 733 -0.549 -1.719 -3.045 1.00 0.00 C ATOM 358 C LYS A 733 -1.913 -1.881 -3.709 1.00 0.00 C ATOM 359 O LYS A 733 -2.791 -1.030 -3.563 1.00 0.00 O ATOM 360 CB LYS A 733 0.488 -1.285 -4.084 1.00 0.00 C ATOM 361 CG LYS A 733 1.786 -0.783 -3.476 1.00 0.00 C ATOM 362 CD LYS A 733 1.633 0.621 -2.917 1.00 0.00 C ATOM 363 CE LYS A 733 1.805 1.674 -4.001 1.00 0.00 C ATOM 364 NZ LYS A 733 3.228 1.811 -4.420 1.00 0.00 N ATOM 0 H LYS A 733 0.823 -3.247 -2.621 1.00 0.00 H new ATOM 0 HA LYS A 733 -0.628 -0.950 -2.276 1.00 0.00 H new ATOM 0 HB2 LYS A 733 0.706 -2.127 -4.741 1.00 0.00 H new ATOM 0 HB3 LYS A 733 0.060 -0.499 -4.706 1.00 0.00 H new ATOM 0 HG2 LYS A 733 2.102 -1.459 -2.682 1.00 0.00 H new ATOM 0 HG3 LYS A 733 2.570 -0.791 -4.233 1.00 0.00 H new ATOM 0 HD2 LYS A 733 0.650 0.726 -2.459 1.00 0.00 H new ATOM 0 HD3 LYS A 733 2.370 0.783 -2.131 1.00 0.00 H new ATOM 0 HE2 LYS A 733 1.196 1.409 -4.865 1.00 0.00 H new ATOM 0 HE3 LYS A 733 1.440 2.634 -3.636 1.00 0.00 H new ATOM 0 HZ1 LYS A 733 3.348 2.692 -4.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 733 3.837 1.836 -3.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 733 3.494 1.001 -5.016 1.00 0.00 H new ATOM 378 N LYS A 734 -2.085 -2.978 -4.437 1.00 0.00 N ATOM 379 CA LYS A 734 -3.343 -3.254 -5.122 1.00 0.00 C ATOM 380 C LYS A 734 -4.435 -3.626 -4.124 1.00 0.00 C ATOM 381 O LYS A 734 -5.586 -3.217 -4.269 1.00 0.00 O ATOM 382 CB LYS A 734 -3.158 -4.384 -6.137 1.00 0.00 C ATOM 383 CG LYS A 734 -2.468 -3.945 -7.417 1.00 0.00 C ATOM 384 CD LYS A 734 -2.923 -4.773 -8.607 1.00 0.00 C ATOM 385 CE LYS A 734 -2.319 -4.261 -9.906 1.00 0.00 C ATOM 386 NZ LYS A 734 -0.844 -4.463 -9.949 1.00 0.00 N ATOM 0 H LYS A 734 -1.368 -3.692 -4.569 1.00 0.00 H new ATOM 0 HA LYS A 734 -3.648 -2.349 -5.647 1.00 0.00 H new ATOM 0 HB2 LYS A 734 -2.577 -5.183 -5.677 1.00 0.00 H new ATOM 0 HB3 LYS A 734 -4.134 -4.802 -6.385 1.00 0.00 H new ATOM 0 HG2 LYS A 734 -2.680 -2.892 -7.603 1.00 0.00 H new ATOM 0 HG3 LYS A 734 -1.388 -4.037 -7.300 1.00 0.00 H new ATOM 0 HD2 LYS A 734 -2.638 -5.814 -8.457 1.00 0.00 H new ATOM 0 HD3 LYS A 734 -4.011 -4.747 -8.675 1.00 0.00 H new ATOM 0 HE2 LYS A 734 -2.781 -4.775 -10.749 1.00 0.00 H new ATOM 0 HE3 LYS A 734 -2.544 -3.200 -10.018 1.00 0.00 H new ATOM 0 HZ1 LYS A 734 -0.484 -4.196 -10.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 734 -0.391 -3.872 -9.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 734 -0.625 -5.463 -9.766 1.00 0.00 H new ATOM 400 N MET A 735 -4.065 -4.402 -3.111 1.00 0.00 N ATOM 401 CA MET A 735 -5.013 -4.827 -2.087 1.00 0.00 C ATOM 402 C MET A 735 -5.636 -3.621 -1.390 1.00 0.00 C ATOM 403 O MET A 735 -6.848 -3.573 -1.180 1.00 0.00 O ATOM 404 CB MET A 735 -4.320 -5.723 -1.059 1.00 0.00 C ATOM 405 CG MET A 735 -5.069 -5.826 0.260 1.00 0.00 C ATOM 406 SD MET A 735 -4.752 -4.425 1.350 1.00 0.00 S ATOM 407 CE MET A 735 -3.099 -4.809 1.923 1.00 0.00 C ATOM 0 H MET A 735 -3.115 -4.750 -2.977 1.00 0.00 H new ATOM 0 HA MET A 735 -5.806 -5.393 -2.575 1.00 0.00 H new ATOM 0 HB2 MET A 735 -4.203 -6.722 -1.480 1.00 0.00 H new ATOM 0 HB3 MET A 735 -3.318 -5.337 -0.870 1.00 0.00 H new ATOM 0 HG2 MET A 735 -6.139 -5.892 0.062 1.00 0.00 H new ATOM 0 HG3 MET A 735 -4.781 -6.747 0.766 1.00 0.00 H new ATOM 0 HE1 MET A 735 -2.948 -4.378 2.913 1.00 0.00 H new ATOM 0 HE2 MET A 735 -2.974 -5.891 1.975 1.00 0.00 H new ATOM 0 HE3 MET A 735 -2.368 -4.392 1.230 1.00 0.00 H new ATOM 417 N MET A 736 -4.800 -2.652 -1.034 1.00 0.00 N ATOM 418 CA MET A 736 -5.271 -1.446 -0.362 1.00 0.00 C ATOM 419 C MET A 736 -6.135 -0.605 -1.296 1.00 0.00 C ATOM 420 O MET A 736 -7.182 -0.096 -0.896 1.00 0.00 O ATOM 421 CB MET A 736 -4.085 -0.619 0.137 1.00 0.00 C ATOM 422 CG MET A 736 -3.481 -1.142 1.431 1.00 0.00 C ATOM 423 SD MET A 736 -2.507 0.105 2.296 1.00 0.00 S ATOM 424 CE MET A 736 -1.337 0.565 1.021 1.00 0.00 C ATOM 0 H MET A 736 -3.794 -2.678 -1.199 1.00 0.00 H new ATOM 0 HA MET A 736 -5.878 -1.749 0.491 1.00 0.00 H new ATOM 0 HB2 MET A 736 -3.314 -0.602 -0.634 1.00 0.00 H new ATOM 0 HB3 MET A 736 -4.408 0.411 0.287 1.00 0.00 H new ATOM 0 HG2 MET A 736 -4.280 -1.492 2.085 1.00 0.00 H new ATOM 0 HG3 MET A 736 -2.849 -2.003 1.211 1.00 0.00 H new ATOM 0 HE1 MET A 736 -0.511 1.119 1.468 1.00 0.00 H new ATOM 0 HE2 MET A 736 -0.952 -0.334 0.539 1.00 0.00 H new ATOM 0 HE3 MET A 736 -1.834 1.190 0.279 1.00 0.00 H new ATOM 434 N GLU A 737 -5.689 -0.463 -2.540 1.00 0.00 N ATOM 435 CA GLU A 737 -6.423 0.318 -3.529 1.00 0.00 C ATOM 436 C GLU A 737 -7.864 -0.170 -3.648 1.00 0.00 C ATOM 437 O GLU A 737 -8.788 0.626 -3.806 1.00 0.00 O ATOM 438 CB GLU A 737 -5.731 0.236 -4.892 1.00 0.00 C ATOM 439 CG GLU A 737 -4.500 1.120 -5.003 1.00 0.00 C ATOM 440 CD GLU A 737 -3.849 1.043 -6.370 1.00 0.00 C ATOM 441 OE1 GLU A 737 -4.545 0.673 -7.339 1.00 0.00 O ATOM 442 OE2 GLU A 737 -2.643 1.352 -6.472 1.00 0.00 O ATOM 0 H GLU A 737 -4.824 -0.878 -2.887 1.00 0.00 H new ATOM 0 HA GLU A 737 -6.436 1.356 -3.197 1.00 0.00 H new ATOM 0 HB2 GLU A 737 -5.444 -0.798 -5.083 1.00 0.00 H new ATOM 0 HB3 GLU A 737 -6.442 0.518 -5.669 1.00 0.00 H new ATOM 0 HG2 GLU A 737 -4.779 2.153 -4.795 1.00 0.00 H new ATOM 0 HG3 GLU A 737 -3.776 0.826 -4.243 1.00 0.00 H new ATOM 449 N GLU A 738 -8.045 -1.485 -3.572 1.00 0.00 N ATOM 450 CA GLU A 738 -9.373 -2.079 -3.672 1.00 0.00 C ATOM 451 C GLU A 738 -10.197 -1.784 -2.422 1.00 0.00 C ATOM 452 O GLU A 738 -11.346 -1.351 -2.511 1.00 0.00 O ATOM 453 CB GLU A 738 -9.265 -3.591 -3.880 1.00 0.00 C ATOM 454 CG GLU A 738 -8.907 -3.986 -5.303 1.00 0.00 C ATOM 455 CD GLU A 738 -8.867 -5.489 -5.500 1.00 0.00 C ATOM 456 OE1 GLU A 738 -7.882 -6.118 -5.059 1.00 0.00 O ATOM 457 OE2 GLU A 738 -9.820 -6.035 -6.093 1.00 0.00 O ATOM 0 H GLU A 738 -7.290 -2.158 -3.442 1.00 0.00 H new ATOM 0 HA GLU A 738 -9.877 -1.636 -4.531 1.00 0.00 H new ATOM 0 HB2 GLU A 738 -8.511 -3.990 -3.201 1.00 0.00 H new ATOM 0 HB3 GLU A 738 -10.214 -4.055 -3.611 1.00 0.00 H new ATOM 0 HG2 GLU A 738 -9.634 -3.553 -5.990 1.00 0.00 H new ATOM 0 HG3 GLU A 738 -7.935 -3.564 -5.559 1.00 0.00 H new ATOM 464 N ALA A 739 -9.602 -2.023 -1.258 1.00 0.00 N ATOM 465 CA ALA A 739 -10.279 -1.782 0.010 1.00 0.00 C ATOM 466 C ALA A 739 -10.868 -0.376 0.059 1.00 0.00 C ATOM 467 O ALA A 739 -11.976 -0.173 0.555 1.00 0.00 O ATOM 468 CB ALA A 739 -9.318 -1.995 1.170 1.00 0.00 C ATOM 0 H ALA A 739 -8.652 -2.383 -1.167 1.00 0.00 H new ATOM 0 HA ALA A 739 -11.099 -2.494 0.097 1.00 0.00 H new ATOM 0 HB1 ALA A 739 -9.837 -1.812 2.111 1.00 0.00 H new ATOM 0 HB2 ALA A 739 -8.949 -3.020 1.153 1.00 0.00 H new ATOM 0 HB3 ALA A 739 -8.479 -1.306 1.078 1.00 0.00 H new ATOM 474 N LYS A 740 -10.118 0.592 -0.457 1.00 0.00 N ATOM 475 CA LYS A 740 -10.565 1.980 -0.472 1.00 0.00 C ATOM 476 C LYS A 740 -10.958 2.441 0.928 1.00 0.00 C ATOM 477 O LYS A 740 -11.969 3.121 1.107 1.00 0.00 O ATOM 478 CB LYS A 740 -11.750 2.145 -1.427 1.00 0.00 C ATOM 479 CG LYS A 740 -11.342 2.482 -2.850 1.00 0.00 C ATOM 480 CD LYS A 740 -12.468 3.168 -3.606 1.00 0.00 C ATOM 481 CE LYS A 740 -12.161 3.269 -5.092 1.00 0.00 C ATOM 482 NZ LYS A 740 -11.111 4.286 -5.375 1.00 0.00 N ATOM 0 H LYS A 740 -9.198 0.441 -0.870 1.00 0.00 H new ATOM 0 HA LYS A 740 -9.737 2.598 -0.819 1.00 0.00 H new ATOM 0 HB2 LYS A 740 -12.332 1.223 -1.433 1.00 0.00 H new ATOM 0 HB3 LYS A 740 -12.403 2.932 -1.049 1.00 0.00 H new ATOM 0 HG2 LYS A 740 -10.466 3.130 -2.834 1.00 0.00 H new ATOM 0 HG3 LYS A 740 -11.055 1.570 -3.373 1.00 0.00 H new ATOM 0 HD2 LYS A 740 -13.395 2.613 -3.462 1.00 0.00 H new ATOM 0 HD3 LYS A 740 -12.627 4.166 -3.198 1.00 0.00 H new ATOM 0 HE2 LYS A 740 -11.834 2.297 -5.462 1.00 0.00 H new ATOM 0 HE3 LYS A 740 -13.071 3.527 -5.634 1.00 0.00 H new ATOM 0 HZ1 LYS A 740 -10.931 4.324 -6.399 1.00 0.00 H new ATOM 0 HZ2 LYS A 740 -11.433 5.218 -5.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 740 -10.234 4.027 -4.879 1.00 0.00 H new ATOM 496 N PHE A 741 -10.153 2.068 1.916 1.00 0.00 N ATOM 497 CA PHE A 741 -10.417 2.443 3.301 1.00 0.00 C ATOM 498 C PHE A 741 -10.344 3.957 3.477 1.00 0.00 C ATOM 499 O PHE A 741 -10.087 4.692 2.524 1.00 0.00 O ATOM 500 CB PHE A 741 -9.416 1.761 4.236 1.00 0.00 C ATOM 501 CG PHE A 741 -7.984 2.083 3.919 1.00 0.00 C ATOM 502 CD1 PHE A 741 -7.494 3.368 4.094 1.00 0.00 C ATOM 503 CD2 PHE A 741 -7.127 1.102 3.448 1.00 0.00 C ATOM 504 CE1 PHE A 741 -6.176 3.667 3.802 1.00 0.00 C ATOM 505 CE2 PHE A 741 -5.808 1.395 3.155 1.00 0.00 C ATOM 506 CZ PHE A 741 -5.332 2.679 3.334 1.00 0.00 C ATOM 0 H PHE A 741 -9.312 1.506 1.784 1.00 0.00 H new ATOM 0 HA PHE A 741 -11.424 2.113 3.555 1.00 0.00 H new ATOM 0 HB2 PHE A 741 -9.628 2.059 5.263 1.00 0.00 H new ATOM 0 HB3 PHE A 741 -9.558 0.682 4.182 1.00 0.00 H new ATOM 0 HD1 PHE A 741 -8.149 4.144 4.462 1.00 0.00 H new ATOM 0 HD2 PHE A 741 -7.494 0.096 3.308 1.00 0.00 H new ATOM 0 HE1 PHE A 741 -5.807 4.673 3.940 1.00 0.00 H new ATOM 0 HE2 PHE A 741 -5.151 0.621 2.787 1.00 0.00 H new ATOM 0 HZ PHE A 741 -4.301 2.910 3.108 1.00 0.00 H new ATOM 516 N ASN A 742 -10.573 4.416 4.703 1.00 0.00 N ATOM 517 CA ASN A 742 -10.535 5.842 5.005 1.00 0.00 C ATOM 518 C ASN A 742 -9.153 6.256 5.503 1.00 0.00 C ATOM 519 O ASN A 742 -8.473 5.513 6.212 1.00 0.00 O ATOM 520 CB ASN A 742 -11.593 6.191 6.053 1.00 0.00 C ATOM 521 CG ASN A 742 -11.707 5.134 7.134 1.00 0.00 C ATOM 522 OD1 ASN A 742 -12.340 4.097 6.940 1.00 0.00 O ATOM 523 ND2 ASN A 742 -11.091 5.393 8.282 1.00 0.00 N ATOM 0 H ASN A 742 -10.787 3.821 5.503 1.00 0.00 H new ATOM 0 HA ASN A 742 -10.749 6.388 4.087 1.00 0.00 H new ATOM 0 HB2 ASN A 742 -11.345 7.149 6.510 1.00 0.00 H new ATOM 0 HB3 ASN A 742 -12.559 6.312 5.563 1.00 0.00 H new ATOM 0 HD21 ASN A 742 -11.132 4.719 9.046 1.00 0.00 H new ATOM 0 HD22 ASN A 742 -10.577 6.266 8.399 1.00 0.00 H new ATOM 530 N PRO A 743 -8.727 7.470 5.126 1.00 0.00 N ATOM 531 CA PRO A 743 -7.424 8.012 5.524 1.00 0.00 C ATOM 532 C PRO A 743 -7.365 8.345 7.011 1.00 0.00 C ATOM 533 O PRO A 743 -6.308 8.696 7.536 1.00 0.00 O ATOM 534 CB PRO A 743 -7.298 9.285 4.685 1.00 0.00 C ATOM 535 CG PRO A 743 -8.702 9.688 4.394 1.00 0.00 C ATOM 536 CD PRO A 743 -9.485 8.409 4.282 1.00 0.00 C ATOM 0 HA PRO A 743 -6.618 7.297 5.361 1.00 0.00 H new ATOM 0 HB2 PRO A 743 -6.767 10.066 5.229 1.00 0.00 H new ATOM 0 HB3 PRO A 743 -6.741 9.100 3.767 1.00 0.00 H new ATOM 0 HG2 PRO A 743 -9.099 10.320 5.188 1.00 0.00 H new ATOM 0 HG3 PRO A 743 -8.759 10.263 3.470 1.00 0.00 H new ATOM 0 HD2 PRO A 743 -10.508 8.532 4.637 1.00 0.00 H new ATOM 0 HD3 PRO A 743 -9.545 8.063 3.250 1.00 0.00 H new ATOM 544 N ARG A 744 -8.505 8.232 7.684 1.00 0.00 N ATOM 545 CA ARG A 744 -8.582 8.523 9.110 1.00 0.00 C ATOM 546 C ARG A 744 -8.004 7.373 9.931 1.00 0.00 C ATOM 547 O ARG A 744 -7.320 7.593 10.930 1.00 0.00 O ATOM 548 CB ARG A 744 -10.033 8.779 9.523 1.00 0.00 C ATOM 549 CG ARG A 744 -10.652 9.993 8.849 1.00 0.00 C ATOM 550 CD ARG A 744 -11.829 10.533 9.646 1.00 0.00 C ATOM 551 NE ARG A 744 -12.215 11.873 9.212 1.00 0.00 N ATOM 552 CZ ARG A 744 -12.992 12.681 9.925 1.00 0.00 C ATOM 553 NH1 ARG A 744 -13.462 12.287 11.101 1.00 0.00 N ATOM 554 NH2 ARG A 744 -13.300 13.886 9.462 1.00 0.00 N ATOM 0 H ARG A 744 -9.388 7.941 7.265 1.00 0.00 H new ATOM 0 HA ARG A 744 -7.993 9.419 9.305 1.00 0.00 H new ATOM 0 HB2 ARG A 744 -10.630 7.898 9.286 1.00 0.00 H new ATOM 0 HB3 ARG A 744 -10.076 8.912 10.604 1.00 0.00 H new ATOM 0 HG2 ARG A 744 -9.898 10.773 8.738 1.00 0.00 H new ATOM 0 HG3 ARG A 744 -10.983 9.724 7.846 1.00 0.00 H new ATOM 0 HD2 ARG A 744 -12.679 9.859 9.540 1.00 0.00 H new ATOM 0 HD3 ARG A 744 -11.570 10.555 10.705 1.00 0.00 H new ATOM 0 HE ARG A 744 -11.869 12.207 8.312 1.00 0.00 H new ATOM 0 HH11 ARG A 744 -13.227 11.362 11.460 1.00 0.00 H new ATOM 0 HH12 ARG A 744 -14.058 12.909 11.646 1.00 0.00 H new ATOM 0 HH21 ARG A 744 -12.940 14.192 8.558 1.00 0.00 H new ATOM 0 HH22 ARG A 744 -13.897 14.506 10.010 1.00 0.00 H new ATOM 568 N ALA A 745 -8.286 6.147 9.503 1.00 0.00 N ATOM 569 CA ALA A 745 -7.793 4.964 10.196 1.00 0.00 C ATOM 570 C ALA A 745 -6.275 5.001 10.335 1.00 0.00 C ATOM 571 O ALA A 745 -5.569 5.447 9.430 1.00 0.00 O ATOM 572 CB ALA A 745 -8.228 3.703 9.463 1.00 0.00 C ATOM 0 H ALA A 745 -8.854 5.947 8.679 1.00 0.00 H new ATOM 0 HA ALA A 745 -8.223 4.955 11.198 1.00 0.00 H new ATOM 0 HB1 ALA A 745 -7.853 2.827 9.992 1.00 0.00 H new ATOM 0 HB2 ALA A 745 -9.316 3.663 9.422 1.00 0.00 H new ATOM 0 HB3 ALA A 745 -7.827 3.715 8.450 1.00 0.00 H new ATOM 578 N THR A 746 -5.777 4.529 11.474 1.00 0.00 N ATOM 579 CA THR A 746 -4.343 4.510 11.732 1.00 0.00 C ATOM 580 C THR A 746 -3.702 3.244 11.178 1.00 0.00 C ATOM 581 O THR A 746 -4.374 2.233 10.975 1.00 0.00 O ATOM 582 CB THR A 746 -4.042 4.607 13.239 1.00 0.00 C ATOM 583 OG1 THR A 746 -2.754 4.048 13.519 1.00 0.00 O ATOM 584 CG2 THR A 746 -5.103 3.880 14.051 1.00 0.00 C ATOM 0 H THR A 746 -6.347 4.155 12.233 1.00 0.00 H new ATOM 0 HA THR A 746 -3.920 5.379 11.228 1.00 0.00 H new ATOM 0 HB THR A 746 -4.049 5.660 13.521 1.00 0.00 H new ATOM 0 HG1 THR A 746 -2.570 4.115 14.479 1.00 0.00 H new ATOM 0 HG21 THR A 746 -4.869 3.962 15.112 1.00 0.00 H new ATOM 0 HG22 THR A 746 -6.078 4.327 13.859 1.00 0.00 H new ATOM 0 HG23 THR A 746 -5.123 2.829 13.765 1.00 0.00 H new ATOM 592 N PHE A 747 -2.397 3.304 10.935 1.00 0.00 N ATOM 593 CA PHE A 747 -1.664 2.161 10.403 1.00 0.00 C ATOM 594 C PHE A 747 -1.901 0.919 11.257 1.00 0.00 C ATOM 595 O PHE A 747 -2.187 -0.160 10.737 1.00 0.00 O ATOM 596 CB PHE A 747 -0.167 2.472 10.340 1.00 0.00 C ATOM 597 CG PHE A 747 0.696 1.248 10.234 1.00 0.00 C ATOM 598 CD1 PHE A 747 0.349 0.210 9.384 1.00 0.00 C ATOM 599 CD2 PHE A 747 1.854 1.134 10.986 1.00 0.00 C ATOM 600 CE1 PHE A 747 1.141 -0.918 9.285 1.00 0.00 C ATOM 601 CE2 PHE A 747 2.650 0.008 10.891 1.00 0.00 C ATOM 602 CZ PHE A 747 2.293 -1.019 10.040 1.00 0.00 C ATOM 0 H PHE A 747 -1.825 4.133 11.098 1.00 0.00 H new ATOM 0 HA PHE A 747 -2.029 1.964 9.395 1.00 0.00 H new ATOM 0 HB2 PHE A 747 0.026 3.118 9.483 1.00 0.00 H new ATOM 0 HB3 PHE A 747 0.117 3.031 11.231 1.00 0.00 H new ATOM 0 HD1 PHE A 747 -0.551 0.284 8.792 1.00 0.00 H new ATOM 0 HD2 PHE A 747 2.138 1.934 11.654 1.00 0.00 H new ATOM 0 HE1 PHE A 747 0.860 -1.720 8.618 1.00 0.00 H new ATOM 0 HE2 PHE A 747 3.551 -0.068 11.482 1.00 0.00 H new ATOM 0 HZ PHE A 747 2.914 -1.900 9.965 1.00 0.00 H new ATOM 612 N SER A 748 -1.778 1.079 12.571 1.00 0.00 N ATOM 613 CA SER A 748 -1.974 -0.030 13.497 1.00 0.00 C ATOM 614 C SER A 748 -3.291 -0.747 13.216 1.00 0.00 C ATOM 615 O SER A 748 -3.325 -1.967 13.064 1.00 0.00 O ATOM 616 CB SER A 748 -1.953 0.475 14.941 1.00 0.00 C ATOM 617 OG SER A 748 -2.071 -0.599 15.859 1.00 0.00 O ATOM 0 H SER A 748 -1.544 1.965 13.018 1.00 0.00 H new ATOM 0 HA SER A 748 -1.158 -0.738 13.355 1.00 0.00 H new ATOM 0 HB2 SER A 748 -1.025 1.016 15.127 1.00 0.00 H new ATOM 0 HB3 SER A 748 -2.770 1.180 15.095 1.00 0.00 H new ATOM 0 HG SER A 748 -2.053 -0.250 16.775 1.00 0.00 H new ATOM 623 N GLU A 749 -4.373 0.022 13.148 1.00 0.00 N ATOM 624 CA GLU A 749 -5.693 -0.540 12.886 1.00 0.00 C ATOM 625 C GLU A 749 -5.728 -1.237 11.529 1.00 0.00 C ATOM 626 O GLU A 749 -6.192 -2.372 11.413 1.00 0.00 O ATOM 627 CB GLU A 749 -6.758 0.558 12.935 1.00 0.00 C ATOM 628 CG GLU A 749 -7.287 0.831 14.333 1.00 0.00 C ATOM 629 CD GLU A 749 -8.647 1.501 14.321 1.00 0.00 C ATOM 630 OE1 GLU A 749 -9.615 0.869 13.848 1.00 0.00 O ATOM 631 OE2 GLU A 749 -8.745 2.657 14.784 1.00 0.00 O ATOM 0 H GLU A 749 -4.362 1.035 13.271 1.00 0.00 H new ATOM 0 HA GLU A 749 -5.906 -1.278 13.660 1.00 0.00 H new ATOM 0 HB2 GLU A 749 -6.338 1.478 12.528 1.00 0.00 H new ATOM 0 HB3 GLU A 749 -7.590 0.275 12.290 1.00 0.00 H new ATOM 0 HG2 GLU A 749 -7.354 -0.108 14.882 1.00 0.00 H new ATOM 0 HG3 GLU A 749 -6.579 1.464 14.868 1.00 0.00 H new ATOM 638 N PHE A 750 -5.234 -0.550 10.504 1.00 0.00 N ATOM 639 CA PHE A 750 -5.210 -1.102 9.155 1.00 0.00 C ATOM 640 C PHE A 750 -4.507 -2.456 9.133 1.00 0.00 C ATOM 641 O PHE A 750 -5.088 -3.462 8.727 1.00 0.00 O ATOM 642 CB PHE A 750 -4.508 -0.135 8.199 1.00 0.00 C ATOM 643 CG PHE A 750 -4.065 -0.778 6.915 1.00 0.00 C ATOM 644 CD1 PHE A 750 -4.945 -0.918 5.855 1.00 0.00 C ATOM 645 CD2 PHE A 750 -2.767 -1.242 6.770 1.00 0.00 C ATOM 646 CE1 PHE A 750 -4.540 -1.508 4.672 1.00 0.00 C ATOM 647 CE2 PHE A 750 -2.357 -1.833 5.590 1.00 0.00 C ATOM 648 CZ PHE A 750 -3.244 -1.967 4.540 1.00 0.00 C ATOM 0 H PHE A 750 -4.845 0.390 10.582 1.00 0.00 H new ATOM 0 HA PHE A 750 -6.240 -1.243 8.828 1.00 0.00 H new ATOM 0 HB2 PHE A 750 -5.182 0.690 7.969 1.00 0.00 H new ATOM 0 HB3 PHE A 750 -3.640 0.293 8.700 1.00 0.00 H new ATOM 0 HD1 PHE A 750 -5.960 -0.562 5.954 1.00 0.00 H new ATOM 0 HD2 PHE A 750 -2.069 -1.141 7.588 1.00 0.00 H new ATOM 0 HE1 PHE A 750 -5.236 -1.610 3.852 1.00 0.00 H new ATOM 0 HE2 PHE A 750 -1.343 -2.190 5.489 1.00 0.00 H new ATOM 0 HZ PHE A 750 -2.925 -2.430 3.618 1.00 0.00 H new ATOM 658 N ALA A 751 -3.253 -2.472 9.574 1.00 0.00 N ATOM 659 CA ALA A 751 -2.471 -3.702 9.607 1.00 0.00 C ATOM 660 C ALA A 751 -3.230 -4.816 10.319 1.00 0.00 C ATOM 661 O ALA A 751 -3.516 -5.859 9.732 1.00 0.00 O ATOM 662 CB ALA A 751 -1.131 -3.457 10.284 1.00 0.00 C ATOM 0 H ALA A 751 -2.757 -1.648 9.913 1.00 0.00 H new ATOM 0 HA ALA A 751 -2.294 -4.019 8.579 1.00 0.00 H new ATOM 0 HB1 ALA A 751 -0.557 -4.384 10.302 1.00 0.00 H new ATOM 0 HB2 ALA A 751 -0.577 -2.698 9.731 1.00 0.00 H new ATOM 0 HB3 ALA A 751 -1.297 -3.113 11.305 1.00 0.00 H new ATOM 668 N ALA A 752 -3.553 -4.588 11.588 1.00 0.00 N ATOM 669 CA ALA A 752 -4.280 -5.573 12.380 1.00 0.00 C ATOM 670 C ALA A 752 -5.565 -6.001 11.679 1.00 0.00 C ATOM 671 O ALA A 752 -5.736 -7.170 11.333 1.00 0.00 O ATOM 672 CB ALA A 752 -4.591 -5.014 13.761 1.00 0.00 C ATOM 0 H ALA A 752 -3.323 -3.730 12.089 1.00 0.00 H new ATOM 0 HA ALA A 752 -3.647 -6.453 12.490 1.00 0.00 H new ATOM 0 HB1 ALA A 752 -5.134 -5.760 14.342 1.00 0.00 H new ATOM 0 HB2 ALA A 752 -3.660 -4.764 14.271 1.00 0.00 H new ATOM 0 HB3 ALA A 752 -5.202 -4.117 13.661 1.00 0.00 H new ATOM 678 N LYS A 753 -6.466 -5.047 11.473 1.00 0.00 N ATOM 679 CA LYS A 753 -7.736 -5.324 10.812 1.00 0.00 C ATOM 680 C LYS A 753 -7.519 -6.110 9.523 1.00 0.00 C ATOM 681 O LYS A 753 -8.313 -6.986 9.176 1.00 0.00 O ATOM 682 CB LYS A 753 -8.472 -4.018 10.508 1.00 0.00 C ATOM 683 CG LYS A 753 -9.134 -3.395 11.724 1.00 0.00 C ATOM 684 CD LYS A 753 -10.050 -2.247 11.334 1.00 0.00 C ATOM 685 CE LYS A 753 -11.421 -2.748 10.907 1.00 0.00 C ATOM 686 NZ LYS A 753 -12.191 -3.303 12.054 1.00 0.00 N ATOM 0 H LYS A 753 -6.340 -4.075 11.754 1.00 0.00 H new ATOM 0 HA LYS A 753 -8.344 -5.927 11.486 1.00 0.00 H new ATOM 0 HB2 LYS A 753 -7.767 -3.304 10.083 1.00 0.00 H new ATOM 0 HB3 LYS A 753 -9.231 -4.207 9.749 1.00 0.00 H new ATOM 0 HG2 LYS A 753 -9.707 -4.154 12.256 1.00 0.00 H new ATOM 0 HG3 LYS A 753 -8.369 -3.034 12.411 1.00 0.00 H new ATOM 0 HD2 LYS A 753 -10.157 -1.564 12.176 1.00 0.00 H new ATOM 0 HD3 LYS A 753 -9.599 -1.681 10.519 1.00 0.00 H new ATOM 0 HE2 LYS A 753 -11.982 -1.930 10.455 1.00 0.00 H new ATOM 0 HE3 LYS A 753 -11.305 -3.516 10.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 753 -13.205 -3.302 11.824 1.00 0.00 H new ATOM 0 HZ2 LYS A 753 -11.879 -4.277 12.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 753 -12.027 -2.718 12.898 1.00 0.00 H new ATOM 700 N HIS A 754 -6.438 -5.793 8.817 1.00 0.00 N ATOM 701 CA HIS A 754 -6.116 -6.471 7.566 1.00 0.00 C ATOM 702 C HIS A 754 -4.883 -7.355 7.730 1.00 0.00 C ATOM 703 O HIS A 754 -4.125 -7.562 6.782 1.00 0.00 O ATOM 704 CB HIS A 754 -5.881 -5.450 6.453 1.00 0.00 C ATOM 705 CG HIS A 754 -7.144 -4.846 5.919 1.00 0.00 C ATOM 706 ND1 HIS A 754 -7.485 -4.874 4.583 1.00 0.00 N ATOM 707 CD2 HIS A 754 -8.150 -4.197 6.549 1.00 0.00 C ATOM 708 CE1 HIS A 754 -8.646 -4.267 4.414 1.00 0.00 C ATOM 709 NE2 HIS A 754 -9.071 -3.847 5.592 1.00 0.00 N ATOM 0 H HIS A 754 -5.771 -5.071 9.090 1.00 0.00 H new ATOM 0 HA HIS A 754 -6.962 -7.103 7.296 1.00 0.00 H new ATOM 0 HB2 HIS A 754 -5.239 -4.654 6.830 1.00 0.00 H new ATOM 0 HB3 HIS A 754 -5.345 -5.932 5.636 1.00 0.00 H new ATOM 0 HD2 HIS A 754 -8.217 -3.992 7.607 1.00 0.00 H new ATOM 0 HE1 HIS A 754 -9.160 -4.136 3.473 1.00 0.00 H new ATOM 0 HE2 HIS A 754 -9.942 -3.344 5.763 1.00 0.00 H new ATOM 717 N ALA A 755 -4.688 -7.873 8.938 1.00 0.00 N ATOM 718 CA ALA A 755 -3.548 -8.735 9.225 1.00 0.00 C ATOM 719 C ALA A 755 -3.838 -10.178 8.830 1.00 0.00 C ATOM 720 O ALA A 755 -2.930 -10.932 8.480 1.00 0.00 O ATOM 721 CB ALA A 755 -3.183 -8.653 10.700 1.00 0.00 C ATOM 0 H ALA A 755 -5.305 -7.711 9.734 1.00 0.00 H new ATOM 0 HA ALA A 755 -2.702 -8.387 8.632 1.00 0.00 H new ATOM 0 HB1 ALA A 755 -2.330 -9.302 10.900 1.00 0.00 H new ATOM 0 HB2 ALA A 755 -2.925 -7.625 10.954 1.00 0.00 H new ATOM 0 HB3 ALA A 755 -4.032 -8.974 11.303 1.00 0.00 H new ATOM 727 N LYS A 756 -5.110 -10.559 8.887 1.00 0.00 N ATOM 728 CA LYS A 756 -5.521 -11.912 8.535 1.00 0.00 C ATOM 729 C LYS A 756 -5.388 -12.148 7.033 1.00 0.00 C ATOM 730 O LYS A 756 -5.196 -13.279 6.588 1.00 0.00 O ATOM 731 CB LYS A 756 -6.966 -12.159 8.974 1.00 0.00 C ATOM 732 CG LYS A 756 -7.278 -13.621 9.247 1.00 0.00 C ATOM 733 CD LYS A 756 -6.949 -14.003 10.680 1.00 0.00 C ATOM 734 CE LYS A 756 -8.134 -13.771 11.605 1.00 0.00 C ATOM 735 NZ LYS A 756 -8.023 -14.566 12.859 1.00 0.00 N ATOM 0 H LYS A 756 -5.875 -9.948 9.174 1.00 0.00 H new ATOM 0 HA LYS A 756 -4.865 -12.610 9.055 1.00 0.00 H new ATOM 0 HB2 LYS A 756 -7.167 -11.579 9.875 1.00 0.00 H new ATOM 0 HB3 LYS A 756 -7.640 -11.791 8.200 1.00 0.00 H new ATOM 0 HG2 LYS A 756 -8.333 -13.811 9.052 1.00 0.00 H new ATOM 0 HG3 LYS A 756 -6.709 -14.250 8.562 1.00 0.00 H new ATOM 0 HD2 LYS A 756 -6.655 -15.052 10.720 1.00 0.00 H new ATOM 0 HD3 LYS A 756 -6.096 -13.420 11.026 1.00 0.00 H new ATOM 0 HE2 LYS A 756 -8.200 -12.711 11.852 1.00 0.00 H new ATOM 0 HE3 LYS A 756 -9.056 -14.036 11.087 1.00 0.00 H new ATOM 0 HZ1 LYS A 756 -8.849 -14.380 13.462 1.00 0.00 H new ATOM 0 HZ2 LYS A 756 -7.985 -15.579 12.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 756 -7.156 -14.295 13.366 1.00 0.00 H new ATOM 749 N ASP A 757 -5.491 -11.073 6.260 1.00 0.00 N ATOM 750 CA ASP A 757 -5.379 -11.162 4.808 1.00 0.00 C ATOM 751 C ASP A 757 -4.011 -11.700 4.400 1.00 0.00 C ATOM 752 O ASP A 757 -3.004 -10.999 4.499 1.00 0.00 O ATOM 753 CB ASP A 757 -5.613 -9.791 4.172 1.00 0.00 C ATOM 754 CG ASP A 757 -5.371 -9.798 2.675 1.00 0.00 C ATOM 755 OD1 ASP A 757 -6.165 -10.432 1.950 1.00 0.00 O ATOM 756 OD2 ASP A 757 -4.387 -9.171 2.230 1.00 0.00 O ATOM 0 H ASP A 757 -5.652 -10.130 6.614 1.00 0.00 H new ATOM 0 HA ASP A 757 -6.142 -11.854 4.451 1.00 0.00 H new ATOM 0 HB2 ASP A 757 -6.636 -9.472 4.370 1.00 0.00 H new ATOM 0 HB3 ASP A 757 -4.954 -9.059 4.640 1.00 0.00 H new ATOM 761 N SER A 758 -3.984 -12.948 3.944 1.00 0.00 N ATOM 762 CA SER A 758 -2.738 -13.581 3.525 1.00 0.00 C ATOM 763 C SER A 758 -1.875 -12.608 2.728 1.00 0.00 C ATOM 764 O SER A 758 -0.747 -12.302 3.115 1.00 0.00 O ATOM 765 CB SER A 758 -3.032 -14.826 2.686 1.00 0.00 C ATOM 766 OG SER A 758 -4.050 -14.571 1.734 1.00 0.00 O ATOM 0 H SER A 758 -4.809 -13.541 3.855 1.00 0.00 H new ATOM 0 HA SER A 758 -2.190 -13.875 4.420 1.00 0.00 H new ATOM 0 HB2 SER A 758 -2.124 -15.147 2.175 1.00 0.00 H new ATOM 0 HB3 SER A 758 -3.337 -15.644 3.338 1.00 0.00 H new ATOM 0 HG SER A 758 -4.218 -15.382 1.210 1.00 0.00 H new ATOM 772 N ARG A 759 -2.414 -12.126 1.613 1.00 0.00 N ATOM 773 CA ARG A 759 -1.693 -11.189 0.760 1.00 0.00 C ATOM 774 C ARG A 759 -1.040 -10.088 1.591 1.00 0.00 C ATOM 775 O ARG A 759 0.126 -9.750 1.386 1.00 0.00 O ATOM 776 CB ARG A 759 -2.641 -10.571 -0.270 1.00 0.00 C ATOM 777 CG ARG A 759 -3.342 -11.597 -1.146 1.00 0.00 C ATOM 778 CD ARG A 759 -2.349 -12.555 -1.784 1.00 0.00 C ATOM 779 NE ARG A 759 -2.984 -13.425 -2.770 1.00 0.00 N ATOM 780 CZ ARG A 759 -2.312 -14.262 -3.553 1.00 0.00 C ATOM 781 NH1 ARG A 759 -0.992 -14.343 -3.464 1.00 0.00 N ATOM 782 NH2 ARG A 759 -2.962 -15.021 -4.426 1.00 0.00 N ATOM 0 H ARG A 759 -3.347 -12.369 1.279 1.00 0.00 H new ATOM 0 HA ARG A 759 -0.910 -11.740 0.239 1.00 0.00 H new ATOM 0 HB2 ARG A 759 -3.392 -9.977 0.251 1.00 0.00 H new ATOM 0 HB3 ARG A 759 -2.078 -9.887 -0.905 1.00 0.00 H new ATOM 0 HG2 ARG A 759 -4.059 -12.159 -0.547 1.00 0.00 H new ATOM 0 HG3 ARG A 759 -3.908 -11.086 -1.925 1.00 0.00 H new ATOM 0 HD2 ARG A 759 -1.552 -11.986 -2.263 1.00 0.00 H new ATOM 0 HD3 ARG A 759 -1.884 -13.164 -1.009 1.00 0.00 H new ATOM 0 HE ARG A 759 -3.999 -13.388 -2.863 1.00 0.00 H new ATOM 0 HH11 ARG A 759 -0.489 -13.762 -2.793 1.00 0.00 H new ATOM 0 HH12 ARG A 759 -0.479 -14.987 -4.066 1.00 0.00 H new ATOM 0 HH21 ARG A 759 -3.978 -14.962 -4.496 1.00 0.00 H new ATOM 0 HH22 ARG A 759 -2.446 -15.663 -5.027 1.00 0.00 H new ATOM 796 N PHE A 760 -1.800 -9.533 2.529 1.00 0.00 N ATOM 797 CA PHE A 760 -1.296 -8.470 3.390 1.00 0.00 C ATOM 798 C PHE A 760 -0.106 -8.954 4.213 1.00 0.00 C ATOM 799 O PHE A 760 0.890 -8.246 4.363 1.00 0.00 O ATOM 800 CB PHE A 760 -2.404 -7.969 4.320 1.00 0.00 C ATOM 801 CG PHE A 760 -1.891 -7.199 5.503 1.00 0.00 C ATOM 802 CD1 PHE A 760 -1.374 -7.859 6.606 1.00 0.00 C ATOM 803 CD2 PHE A 760 -1.926 -5.813 5.512 1.00 0.00 C ATOM 804 CE1 PHE A 760 -0.901 -7.153 7.696 1.00 0.00 C ATOM 805 CE2 PHE A 760 -1.454 -5.102 6.599 1.00 0.00 C ATOM 806 CZ PHE A 760 -0.942 -5.773 7.693 1.00 0.00 C ATOM 0 H PHE A 760 -2.767 -9.802 2.712 1.00 0.00 H new ATOM 0 HA PHE A 760 -0.965 -7.649 2.754 1.00 0.00 H new ATOM 0 HB2 PHE A 760 -3.085 -7.336 3.752 1.00 0.00 H new ATOM 0 HB3 PHE A 760 -2.983 -8.822 4.675 1.00 0.00 H new ATOM 0 HD1 PHE A 760 -1.340 -8.938 6.614 1.00 0.00 H new ATOM 0 HD2 PHE A 760 -2.326 -5.283 4.660 1.00 0.00 H new ATOM 0 HE1 PHE A 760 -0.500 -7.680 8.549 1.00 0.00 H new ATOM 0 HE2 PHE A 760 -1.485 -4.022 6.593 1.00 0.00 H new ATOM 0 HZ PHE A 760 -0.575 -5.219 8.544 1.00 0.00 H new ATOM 816 N LYS A 761 -0.217 -10.166 4.746 1.00 0.00 N ATOM 817 CA LYS A 761 0.848 -10.748 5.554 1.00 0.00 C ATOM 818 C LYS A 761 2.179 -10.706 4.811 1.00 0.00 C ATOM 819 O LYS A 761 3.245 -10.758 5.425 1.00 0.00 O ATOM 820 CB LYS A 761 0.504 -12.193 5.924 1.00 0.00 C ATOM 821 CG LYS A 761 -0.790 -12.329 6.707 1.00 0.00 C ATOM 822 CD LYS A 761 -0.753 -13.526 7.642 1.00 0.00 C ATOM 823 CE LYS A 761 -0.681 -14.835 6.869 1.00 0.00 C ATOM 824 NZ LYS A 761 -0.377 -15.989 7.760 1.00 0.00 N ATOM 0 H LYS A 761 -1.035 -10.765 4.633 1.00 0.00 H new ATOM 0 HA LYS A 761 0.942 -10.158 6.466 1.00 0.00 H new ATOM 0 HB2 LYS A 761 0.431 -12.785 5.012 1.00 0.00 H new ATOM 0 HB3 LYS A 761 1.320 -12.613 6.512 1.00 0.00 H new ATOM 0 HG2 LYS A 761 -0.964 -11.421 7.284 1.00 0.00 H new ATOM 0 HG3 LYS A 761 -1.626 -12.432 6.015 1.00 0.00 H new ATOM 0 HD2 LYS A 761 0.109 -13.445 8.304 1.00 0.00 H new ATOM 0 HD3 LYS A 761 -1.641 -13.523 8.274 1.00 0.00 H new ATOM 0 HE2 LYS A 761 -1.629 -15.009 6.360 1.00 0.00 H new ATOM 0 HE3 LYS A 761 0.086 -14.760 6.098 1.00 0.00 H new ATOM 0 HZ1 LYS A 761 -0.336 -16.862 7.196 1.00 0.00 H new ATOM 0 HZ2 LYS A 761 0.540 -15.835 8.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 761 -1.122 -16.077 8.481 1.00 0.00 H new ATOM 838 N ALA A 762 2.110 -10.609 3.488 1.00 0.00 N ATOM 839 CA ALA A 762 3.311 -10.556 2.662 1.00 0.00 C ATOM 840 C ALA A 762 4.285 -9.502 3.177 1.00 0.00 C ATOM 841 O ALA A 762 5.496 -9.724 3.208 1.00 0.00 O ATOM 842 CB ALA A 762 2.942 -10.273 1.213 1.00 0.00 C ATOM 0 H ALA A 762 1.236 -10.565 2.965 1.00 0.00 H new ATOM 0 HA ALA A 762 3.804 -11.527 2.718 1.00 0.00 H new ATOM 0 HB1 ALA A 762 3.848 -10.236 0.607 1.00 0.00 H new ATOM 0 HB2 ALA A 762 2.290 -11.064 0.843 1.00 0.00 H new ATOM 0 HB3 ALA A 762 2.424 -9.316 1.150 1.00 0.00 H new ATOM 848 N ILE A 763 3.749 -8.355 3.581 1.00 0.00 N ATOM 849 CA ILE A 763 4.572 -7.267 4.095 1.00 0.00 C ATOM 850 C ILE A 763 4.781 -7.400 5.600 1.00 0.00 C ATOM 851 O ILE A 763 3.950 -6.960 6.393 1.00 0.00 O ATOM 852 CB ILE A 763 3.943 -5.894 3.795 1.00 0.00 C ATOM 853 CG1 ILE A 763 3.439 -5.845 2.351 1.00 0.00 C ATOM 854 CG2 ILE A 763 4.950 -4.783 4.049 1.00 0.00 C ATOM 855 CD1 ILE A 763 4.544 -5.929 1.322 1.00 0.00 C ATOM 0 H ILE A 763 2.749 -8.155 3.562 1.00 0.00 H new ATOM 0 HA ILE A 763 5.535 -7.334 3.589 1.00 0.00 H new ATOM 0 HB ILE A 763 3.093 -5.746 4.462 1.00 0.00 H new ATOM 0 HG12 ILE A 763 2.741 -6.667 2.190 1.00 0.00 H new ATOM 0 HG13 ILE A 763 2.883 -4.920 2.200 1.00 0.00 H new ATOM 0 HG21 ILE A 763 4.490 -3.819 3.832 1.00 0.00 H new ATOM 0 HG22 ILE A 763 5.265 -4.809 5.092 1.00 0.00 H new ATOM 0 HG23 ILE A 763 5.818 -4.924 3.405 1.00 0.00 H new ATOM 0 HD11 ILE A 763 4.113 -5.888 0.322 1.00 0.00 H new ATOM 0 HD12 ILE A 763 5.230 -5.093 1.456 1.00 0.00 H new ATOM 0 HD13 ILE A 763 5.086 -6.866 1.446 1.00 0.00 H new ATOM 867 N GLU A 764 5.899 -8.008 5.986 1.00 0.00 N ATOM 868 CA GLU A 764 6.217 -8.198 7.396 1.00 0.00 C ATOM 869 C GLU A 764 6.964 -6.989 7.952 1.00 0.00 C ATOM 870 O GLU A 764 6.650 -6.494 9.035 1.00 0.00 O ATOM 871 CB GLU A 764 7.057 -9.463 7.587 1.00 0.00 C ATOM 872 CG GLU A 764 6.736 -10.563 6.588 1.00 0.00 C ATOM 873 CD GLU A 764 7.101 -11.942 7.103 1.00 0.00 C ATOM 874 OE1 GLU A 764 8.189 -12.083 7.699 1.00 0.00 O ATOM 875 OE2 GLU A 764 6.299 -12.879 6.908 1.00 0.00 O ATOM 0 H GLU A 764 6.599 -8.377 5.342 1.00 0.00 H new ATOM 0 HA GLU A 764 5.280 -8.308 7.942 1.00 0.00 H new ATOM 0 HB2 GLU A 764 8.113 -9.204 7.503 1.00 0.00 H new ATOM 0 HB3 GLU A 764 6.901 -9.844 8.596 1.00 0.00 H new ATOM 0 HG2 GLU A 764 5.672 -10.537 6.353 1.00 0.00 H new ATOM 0 HG3 GLU A 764 7.272 -10.373 5.658 1.00 0.00 H new ATOM 882 N LYS A 765 7.957 -6.519 7.204 1.00 0.00 N ATOM 883 CA LYS A 765 8.750 -5.369 7.619 1.00 0.00 C ATOM 884 C LYS A 765 7.853 -4.183 7.957 1.00 0.00 C ATOM 885 O LYS A 765 7.363 -3.490 7.066 1.00 0.00 O ATOM 886 CB LYS A 765 9.736 -4.978 6.516 1.00 0.00 C ATOM 887 CG LYS A 765 10.713 -6.084 6.154 1.00 0.00 C ATOM 888 CD LYS A 765 11.623 -5.671 5.010 1.00 0.00 C ATOM 889 CE LYS A 765 12.695 -4.696 5.474 1.00 0.00 C ATOM 890 NZ LYS A 765 13.882 -4.707 4.575 1.00 0.00 N ATOM 0 H LYS A 765 8.231 -6.918 6.306 1.00 0.00 H new ATOM 0 HA LYS A 765 9.307 -5.648 8.514 1.00 0.00 H new ATOM 0 HB2 LYS A 765 9.177 -4.692 5.625 1.00 0.00 H new ATOM 0 HB3 LYS A 765 10.297 -4.100 6.836 1.00 0.00 H new ATOM 0 HG2 LYS A 765 11.316 -6.338 7.026 1.00 0.00 H new ATOM 0 HG3 LYS A 765 10.161 -6.982 5.875 1.00 0.00 H new ATOM 0 HD2 LYS A 765 12.095 -6.555 4.582 1.00 0.00 H new ATOM 0 HD3 LYS A 765 11.030 -5.212 4.219 1.00 0.00 H new ATOM 0 HE2 LYS A 765 12.278 -3.690 5.513 1.00 0.00 H new ATOM 0 HE3 LYS A 765 13.005 -4.952 6.487 1.00 0.00 H new ATOM 0 HZ1 LYS A 765 14.589 -4.030 4.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 765 14.295 -5.661 4.558 1.00 0.00 H new ATOM 0 HZ3 LYS A 765 13.592 -4.438 3.613 1.00 0.00 H new ATOM 904 N MET A 766 7.643 -3.954 9.250 1.00 0.00 N ATOM 905 CA MET A 766 6.807 -2.849 9.704 1.00 0.00 C ATOM 906 C MET A 766 7.132 -1.570 8.938 1.00 0.00 C ATOM 907 O MET A 766 6.235 -0.883 8.448 1.00 0.00 O ATOM 908 CB MET A 766 6.998 -2.621 11.205 1.00 0.00 C ATOM 909 CG MET A 766 5.816 -1.933 11.869 1.00 0.00 C ATOM 910 SD MET A 766 5.672 -2.338 13.620 1.00 0.00 S ATOM 911 CE MET A 766 5.006 -0.807 14.269 1.00 0.00 C ATOM 0 H MET A 766 8.040 -4.519 10.001 1.00 0.00 H new ATOM 0 HA MET A 766 5.766 -3.111 9.513 1.00 0.00 H new ATOM 0 HB2 MET A 766 7.169 -3.581 11.691 1.00 0.00 H new ATOM 0 HB3 MET A 766 7.893 -2.020 11.362 1.00 0.00 H new ATOM 0 HG2 MET A 766 5.919 -0.854 11.757 1.00 0.00 H new ATOM 0 HG3 MET A 766 4.898 -2.221 11.357 1.00 0.00 H new ATOM 0 HE1 MET A 766 4.861 -0.901 15.345 1.00 0.00 H new ATOM 0 HE2 MET A 766 5.702 0.007 14.066 1.00 0.00 H new ATOM 0 HE3 MET A 766 4.050 -0.595 13.791 1.00 0.00 H new ATOM 921 N LYS A 767 8.419 -1.256 8.839 1.00 0.00 N ATOM 922 CA LYS A 767 8.863 -0.061 8.132 1.00 0.00 C ATOM 923 C LYS A 767 8.202 0.037 6.761 1.00 0.00 C ATOM 924 O LYS A 767 7.705 1.096 6.375 1.00 0.00 O ATOM 925 CB LYS A 767 10.386 -0.071 7.977 1.00 0.00 C ATOM 926 CG LYS A 767 11.000 1.317 7.913 1.00 0.00 C ATOM 927 CD LYS A 767 12.503 1.271 8.126 1.00 0.00 C ATOM 928 CE LYS A 767 13.199 2.437 7.441 1.00 0.00 C ATOM 929 NZ LYS A 767 14.680 2.282 7.450 1.00 0.00 N ATOM 0 H LYS A 767 9.174 -1.813 9.240 1.00 0.00 H new ATOM 0 HA LYS A 767 8.570 0.809 8.720 1.00 0.00 H new ATOM 0 HB2 LYS A 767 10.824 -0.615 8.814 1.00 0.00 H new ATOM 0 HB3 LYS A 767 10.647 -0.617 7.070 1.00 0.00 H new ATOM 0 HG2 LYS A 767 10.782 1.768 6.945 1.00 0.00 H new ATOM 0 HG3 LYS A 767 10.543 1.953 8.671 1.00 0.00 H new ATOM 0 HD2 LYS A 767 12.721 1.292 9.194 1.00 0.00 H new ATOM 0 HD3 LYS A 767 12.898 0.332 7.739 1.00 0.00 H new ATOM 0 HE2 LYS A 767 12.848 2.515 6.412 1.00 0.00 H new ATOM 0 HE3 LYS A 767 12.928 3.367 7.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 767 15.117 3.097 6.974 1.00 0.00 H new ATOM 0 HZ2 LYS A 767 15.018 2.233 8.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 767 14.941 1.408 6.950 1.00 0.00 H new ATOM 943 N ASP A 768 8.200 -1.072 6.030 1.00 0.00 N ATOM 944 CA ASP A 768 7.598 -1.111 4.702 1.00 0.00 C ATOM 945 C ASP A 768 6.090 -0.890 4.783 1.00 0.00 C ATOM 946 O ASP A 768 5.496 -0.268 3.902 1.00 0.00 O ATOM 947 CB ASP A 768 7.894 -2.449 4.024 1.00 0.00 C ATOM 948 CG ASP A 768 9.184 -2.422 3.228 1.00 0.00 C ATOM 949 OD1 ASP A 768 10.247 -2.719 3.811 1.00 0.00 O ATOM 950 OD2 ASP A 768 9.130 -2.102 2.022 1.00 0.00 O ATOM 0 H ASP A 768 8.608 -1.956 6.334 1.00 0.00 H new ATOM 0 HA ASP A 768 8.034 -0.308 4.108 1.00 0.00 H new ATOM 0 HB2 ASP A 768 7.954 -3.231 4.781 1.00 0.00 H new ATOM 0 HB3 ASP A 768 7.068 -2.708 3.362 1.00 0.00 H new ATOM 955 N ARG A 769 5.478 -1.405 5.844 1.00 0.00 N ATOM 956 CA ARG A 769 4.040 -1.266 6.038 1.00 0.00 C ATOM 957 C ARG A 769 3.654 0.200 6.217 1.00 0.00 C ATOM 958 O ARG A 769 2.777 0.710 5.521 1.00 0.00 O ATOM 959 CB ARG A 769 3.587 -2.075 7.254 1.00 0.00 C ATOM 960 CG ARG A 769 3.252 -3.522 6.933 1.00 0.00 C ATOM 961 CD ARG A 769 2.668 -4.241 8.139 1.00 0.00 C ATOM 962 NE ARG A 769 3.708 -4.792 9.004 1.00 0.00 N ATOM 963 CZ ARG A 769 3.457 -5.577 10.046 1.00 0.00 C ATOM 964 NH1 ARG A 769 2.208 -5.902 10.350 1.00 0.00 N ATOM 965 NH2 ARG A 769 4.457 -6.040 10.785 1.00 0.00 N ATOM 0 H ARG A 769 5.955 -1.922 6.582 1.00 0.00 H new ATOM 0 HA ARG A 769 3.541 -1.650 5.148 1.00 0.00 H new ATOM 0 HB2 ARG A 769 4.373 -2.052 8.008 1.00 0.00 H new ATOM 0 HB3 ARG A 769 2.711 -1.597 7.692 1.00 0.00 H new ATOM 0 HG2 ARG A 769 2.541 -3.557 6.108 1.00 0.00 H new ATOM 0 HG3 ARG A 769 4.152 -4.039 6.600 1.00 0.00 H new ATOM 0 HD2 ARG A 769 2.051 -3.548 8.710 1.00 0.00 H new ATOM 0 HD3 ARG A 769 2.014 -5.045 7.800 1.00 0.00 H new ATOM 0 HE ARG A 769 4.680 -4.562 8.797 1.00 0.00 H new ATOM 0 HH11 ARG A 769 1.437 -5.549 9.783 1.00 0.00 H new ATOM 0 HH12 ARG A 769 2.018 -6.505 11.151 1.00 0.00 H new ATOM 0 HH21 ARG A 769 5.419 -5.793 10.553 1.00 0.00 H new ATOM 0 HH22 ARG A 769 4.264 -6.643 11.585 1.00 0.00 H new ATOM 979 N GLU A 770 4.316 0.871 7.154 1.00 0.00 N ATOM 980 CA GLU A 770 4.041 2.277 7.425 1.00 0.00 C ATOM 981 C GLU A 770 4.413 3.144 6.226 1.00 0.00 C ATOM 982 O GLU A 770 3.692 4.077 5.874 1.00 0.00 O ATOM 983 CB GLU A 770 4.812 2.741 8.662 1.00 0.00 C ATOM 984 CG GLU A 770 4.121 3.859 9.426 1.00 0.00 C ATOM 985 CD GLU A 770 4.660 4.023 10.834 1.00 0.00 C ATOM 986 OE1 GLU A 770 5.766 4.581 10.985 1.00 0.00 O ATOM 987 OE2 GLU A 770 3.973 3.592 11.785 1.00 0.00 O ATOM 0 H GLU A 770 5.046 0.464 7.738 1.00 0.00 H new ATOM 0 HA GLU A 770 2.972 2.383 7.611 1.00 0.00 H new ATOM 0 HB2 GLU A 770 4.957 1.892 9.330 1.00 0.00 H new ATOM 0 HB3 GLU A 770 5.802 3.079 8.357 1.00 0.00 H new ATOM 0 HG2 GLU A 770 4.244 4.796 8.882 1.00 0.00 H new ATOM 0 HG3 GLU A 770 3.051 3.655 9.472 1.00 0.00 H new ATOM 994 N ALA A 771 5.544 2.829 5.602 1.00 0.00 N ATOM 995 CA ALA A 771 6.011 3.578 4.442 1.00 0.00 C ATOM 996 C ALA A 771 4.987 3.535 3.313 1.00 0.00 C ATOM 997 O ALA A 771 4.490 4.572 2.872 1.00 0.00 O ATOM 998 CB ALA A 771 7.349 3.032 3.966 1.00 0.00 C ATOM 0 H ALA A 771 6.153 2.060 5.881 1.00 0.00 H new ATOM 0 HA ALA A 771 6.141 4.619 4.739 1.00 0.00 H new ATOM 0 HB1 ALA A 771 7.686 3.600 3.099 1.00 0.00 H new ATOM 0 HB2 ALA A 771 8.084 3.121 4.766 1.00 0.00 H new ATOM 0 HB3 ALA A 771 7.237 1.983 3.691 1.00 0.00 H new ATOM 1004 N LEU A 772 4.677 2.330 2.847 1.00 0.00 N ATOM 1005 CA LEU A 772 3.713 2.152 1.767 1.00 0.00 C ATOM 1006 C LEU A 772 2.348 2.708 2.159 1.00 0.00 C ATOM 1007 O LEU A 772 1.706 3.414 1.381 1.00 0.00 O ATOM 1008 CB LEU A 772 3.588 0.670 1.407 1.00 0.00 C ATOM 1009 CG LEU A 772 4.869 -0.014 0.930 1.00 0.00 C ATOM 1010 CD1 LEU A 772 4.726 -1.526 1.006 1.00 0.00 C ATOM 1011 CD2 LEU A 772 5.211 0.421 -0.487 1.00 0.00 C ATOM 0 H LEU A 772 5.079 1.462 3.200 1.00 0.00 H new ATOM 0 HA LEU A 772 4.073 2.702 0.897 1.00 0.00 H new ATOM 0 HB2 LEU A 772 3.217 0.134 2.281 1.00 0.00 H new ATOM 0 HB3 LEU A 772 2.833 0.568 0.627 1.00 0.00 H new ATOM 0 HG LEU A 772 5.685 0.287 1.587 1.00 0.00 H new ATOM 0 HD11 LEU A 772 5.647 -1.996 0.663 1.00 0.00 H new ATOM 0 HD12 LEU A 772 4.530 -1.822 2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 772 3.898 -1.845 0.373 1.00 0.00 H new ATOM 0 HD21 LEU A 772 6.126 -0.076 -0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 772 4.395 0.150 -1.158 1.00 0.00 H new ATOM 0 HD23 LEU A 772 5.357 1.501 -0.511 1.00 0.00 H new ATOM 1023 N PHE A 773 1.910 2.388 3.373 1.00 0.00 N ATOM 1024 CA PHE A 773 0.622 2.856 3.869 1.00 0.00 C ATOM 1025 C PHE A 773 0.612 4.376 4.008 1.00 0.00 C ATOM 1026 O PHE A 773 -0.430 5.016 3.876 1.00 0.00 O ATOM 1027 CB PHE A 773 0.304 2.207 5.218 1.00 0.00 C ATOM 1028 CG PHE A 773 -0.848 2.850 5.936 1.00 0.00 C ATOM 1029 CD1 PHE A 773 -0.657 3.992 6.697 1.00 0.00 C ATOM 1030 CD2 PHE A 773 -2.122 2.312 5.851 1.00 0.00 C ATOM 1031 CE1 PHE A 773 -1.715 4.587 7.359 1.00 0.00 C ATOM 1032 CE2 PHE A 773 -3.184 2.902 6.510 1.00 0.00 C ATOM 1033 CZ PHE A 773 -2.980 4.040 7.266 1.00 0.00 C ATOM 0 H PHE A 773 2.429 1.806 4.031 1.00 0.00 H new ATOM 0 HA PHE A 773 -0.143 2.570 3.147 1.00 0.00 H new ATOM 0 HB2 PHE A 773 0.080 1.152 5.061 1.00 0.00 H new ATOM 0 HB3 PHE A 773 1.189 2.254 5.852 1.00 0.00 H new ATOM 0 HD1 PHE A 773 0.330 4.423 6.774 1.00 0.00 H new ATOM 0 HD2 PHE A 773 -2.287 1.421 5.263 1.00 0.00 H new ATOM 0 HE1 PHE A 773 -1.553 5.478 7.948 1.00 0.00 H new ATOM 0 HE2 PHE A 773 -4.173 2.474 6.434 1.00 0.00 H new ATOM 0 HZ PHE A 773 -3.808 4.501 7.783 1.00 0.00 H new ATOM 1043 N ASN A 774 1.782 4.947 4.277 1.00 0.00 N ATOM 1044 CA ASN A 774 1.910 6.391 4.436 1.00 0.00 C ATOM 1045 C ASN A 774 1.610 7.111 3.125 1.00 0.00 C ATOM 1046 O ASN A 774 0.760 7.999 3.074 1.00 0.00 O ATOM 1047 CB ASN A 774 3.317 6.750 4.918 1.00 0.00 C ATOM 1048 CG ASN A 774 3.430 6.739 6.430 1.00 0.00 C ATOM 1049 OD1 ASN A 774 2.472 7.051 7.138 1.00 0.00 O ATOM 1050 ND2 ASN A 774 4.606 6.380 6.932 1.00 0.00 N ATOM 0 H ASN A 774 2.655 4.432 4.389 1.00 0.00 H new ATOM 0 HA ASN A 774 1.185 6.715 5.182 1.00 0.00 H new ATOM 0 HB2 ASN A 774 4.033 6.044 4.498 1.00 0.00 H new ATOM 0 HB3 ASN A 774 3.586 7.738 4.543 1.00 0.00 H new ATOM 0 HD21 ASN A 774 4.743 6.355 7.942 1.00 0.00 H new ATOM 0 HD22 ASN A 774 5.372 6.129 6.307 1.00 0.00 H new ATOM 1057 N GLU A 775 2.313 6.720 2.067 1.00 0.00 N ATOM 1058 CA GLU A 775 2.122 7.328 0.756 1.00 0.00 C ATOM 1059 C GLU A 775 0.700 7.100 0.252 1.00 0.00 C ATOM 1060 O GLU A 775 0.088 7.990 -0.338 1.00 0.00 O ATOM 1061 CB GLU A 775 3.128 6.758 -0.247 1.00 0.00 C ATOM 1062 CG GLU A 775 3.132 5.240 -0.309 1.00 0.00 C ATOM 1063 CD GLU A 775 3.998 4.704 -1.432 1.00 0.00 C ATOM 1064 OE1 GLU A 775 3.715 5.025 -2.605 1.00 0.00 O ATOM 1065 OE2 GLU A 775 4.960 3.965 -1.138 1.00 0.00 O ATOM 0 H GLU A 775 3.020 5.985 2.092 1.00 0.00 H new ATOM 0 HA GLU A 775 2.286 8.401 0.855 1.00 0.00 H new ATOM 0 HB2 GLU A 775 2.904 7.153 -1.238 1.00 0.00 H new ATOM 0 HB3 GLU A 775 4.127 7.105 0.016 1.00 0.00 H new ATOM 0 HG2 GLU A 775 3.489 4.842 0.641 1.00 0.00 H new ATOM 0 HG3 GLU A 775 2.111 4.883 -0.441 1.00 0.00 H new ATOM 1072 N PHE A 776 0.180 5.900 0.489 1.00 0.00 N ATOM 1073 CA PHE A 776 -1.169 5.552 0.058 1.00 0.00 C ATOM 1074 C PHE A 776 -2.187 6.552 0.600 1.00 0.00 C ATOM 1075 O PHE A 776 -2.876 7.229 -0.163 1.00 0.00 O ATOM 1076 CB PHE A 776 -1.528 4.139 0.523 1.00 0.00 C ATOM 1077 CG PHE A 776 -2.891 3.691 0.080 1.00 0.00 C ATOM 1078 CD1 PHE A 776 -4.020 4.049 0.799 1.00 0.00 C ATOM 1079 CD2 PHE A 776 -3.043 2.910 -1.054 1.00 0.00 C ATOM 1080 CE1 PHE A 776 -5.276 3.637 0.394 1.00 0.00 C ATOM 1081 CE2 PHE A 776 -4.297 2.495 -1.464 1.00 0.00 C ATOM 1082 CZ PHE A 776 -5.414 2.860 -0.740 1.00 0.00 C ATOM 0 H PHE A 776 0.673 5.152 0.977 1.00 0.00 H new ATOM 0 HA PHE A 776 -1.196 5.586 -1.031 1.00 0.00 H new ATOM 0 HB2 PHE A 776 -0.783 3.440 0.143 1.00 0.00 H new ATOM 0 HB3 PHE A 776 -1.477 4.099 1.611 1.00 0.00 H new ATOM 0 HD1 PHE A 776 -3.918 4.657 1.686 1.00 0.00 H new ATOM 0 HD2 PHE A 776 -2.172 2.622 -1.624 1.00 0.00 H new ATOM 0 HE1 PHE A 776 -6.148 3.922 0.963 1.00 0.00 H new ATOM 0 HE2 PHE A 776 -4.402 1.886 -2.350 1.00 0.00 H new ATOM 0 HZ PHE A 776 -6.394 2.539 -1.059 1.00 0.00 H new ATOM 1092 N VAL A 777 -2.276 6.638 1.924 1.00 0.00 N ATOM 1093 CA VAL A 777 -3.209 7.554 2.569 1.00 0.00 C ATOM 1094 C VAL A 777 -2.891 9.002 2.214 1.00 0.00 C ATOM 1095 O VAL A 777 -3.793 9.822 2.043 1.00 0.00 O ATOM 1096 CB VAL A 777 -3.182 7.395 4.101 1.00 0.00 C ATOM 1097 CG1 VAL A 777 -3.402 5.942 4.491 1.00 0.00 C ATOM 1098 CG2 VAL A 777 -1.869 7.915 4.667 1.00 0.00 C ATOM 0 H VAL A 777 -1.713 6.085 2.570 1.00 0.00 H new ATOM 0 HA VAL A 777 -4.204 7.303 2.202 1.00 0.00 H new ATOM 0 HB VAL A 777 -3.994 7.986 4.525 1.00 0.00 H new ATOM 0 HG11 VAL A 777 -3.380 5.849 5.577 1.00 0.00 H new ATOM 0 HG12 VAL A 777 -4.370 5.608 4.118 1.00 0.00 H new ATOM 0 HG13 VAL A 777 -2.614 5.326 4.058 1.00 0.00 H new ATOM 0 HG21 VAL A 777 -1.867 7.795 5.750 1.00 0.00 H new ATOM 0 HG22 VAL A 777 -1.040 7.353 4.238 1.00 0.00 H new ATOM 0 HG23 VAL A 777 -1.758 8.971 4.419 1.00 0.00 H new ATOM 1108 N ALA A 778 -1.603 9.310 2.104 1.00 0.00 N ATOM 1109 CA ALA A 778 -1.166 10.659 1.766 1.00 0.00 C ATOM 1110 C ALA A 778 -1.814 11.138 0.471 1.00 0.00 C ATOM 1111 O ALA A 778 -2.162 12.310 0.337 1.00 0.00 O ATOM 1112 CB ALA A 778 0.350 10.708 1.649 1.00 0.00 C ATOM 0 H ALA A 778 -0.844 8.643 2.244 1.00 0.00 H new ATOM 0 HA ALA A 778 -1.480 11.328 2.567 1.00 0.00 H new ATOM 0 HB1 ALA A 778 0.663 11.721 1.396 1.00 0.00 H new ATOM 0 HB2 ALA A 778 0.798 10.416 2.599 1.00 0.00 H new ATOM 0 HB3 ALA A 778 0.677 10.022 0.868 1.00 0.00 H new ATOM 1118 N ALA A 779 -1.972 10.223 -0.480 1.00 0.00 N ATOM 1119 CA ALA A 779 -2.580 10.552 -1.763 1.00 0.00 C ATOM 1120 C ALA A 779 -4.090 10.343 -1.725 1.00 0.00 C ATOM 1121 O ALA A 779 -4.848 11.118 -2.309 1.00 0.00 O ATOM 1122 CB ALA A 779 -1.957 9.716 -2.872 1.00 0.00 C ATOM 0 H ALA A 779 -1.687 9.248 -0.386 1.00 0.00 H new ATOM 0 HA ALA A 779 -2.391 11.606 -1.967 1.00 0.00 H new ATOM 0 HB1 ALA A 779 -2.421 9.972 -3.825 1.00 0.00 H new ATOM 0 HB2 ALA A 779 -0.887 9.918 -2.923 1.00 0.00 H new ATOM 0 HB3 ALA A 779 -2.117 8.658 -2.664 1.00 0.00 H new ATOM 1128 N ALA A 780 -4.521 9.292 -1.036 1.00 0.00 N ATOM 1129 CA ALA A 780 -5.940 8.983 -0.921 1.00 0.00 C ATOM 1130 C ALA A 780 -6.727 10.191 -0.422 1.00 0.00 C ATOM 1131 O ALA A 780 -7.880 10.393 -0.804 1.00 0.00 O ATOM 1132 CB ALA A 780 -6.149 7.795 0.007 1.00 0.00 C ATOM 0 H ALA A 780 -3.907 8.640 -0.549 1.00 0.00 H new ATOM 0 HA ALA A 780 -6.311 8.725 -1.913 1.00 0.00 H new ATOM 0 HB1 ALA A 780 -7.214 7.576 0.083 1.00 0.00 H new ATOM 0 HB2 ALA A 780 -5.627 6.925 -0.392 1.00 0.00 H new ATOM 0 HB3 ALA A 780 -5.756 8.032 0.996 1.00 0.00 H new ATOM 1138 N ARG A 781 -6.096 10.990 0.432 1.00 0.00 N ATOM 1139 CA ARG A 781 -6.738 12.177 0.984 1.00 0.00 C ATOM 1140 C ARG A 781 -7.613 12.859 -0.063 1.00 0.00 C ATOM 1141 O ARG A 781 -8.812 13.049 0.141 1.00 0.00 O ATOM 1142 CB ARG A 781 -5.685 13.158 1.502 1.00 0.00 C ATOM 1143 CG ARG A 781 -4.636 12.512 2.392 1.00 0.00 C ATOM 1144 CD ARG A 781 -4.056 13.509 3.383 1.00 0.00 C ATOM 1145 NE ARG A 781 -5.054 13.970 4.344 1.00 0.00 N ATOM 1146 CZ ARG A 781 -4.771 14.751 5.381 1.00 0.00 C ATOM 1147 NH1 ARG A 781 -3.526 15.157 5.589 1.00 0.00 N ATOM 1148 NH2 ARG A 781 -5.734 15.128 6.211 1.00 0.00 N ATOM 0 H ARG A 781 -5.141 10.837 0.757 1.00 0.00 H new ATOM 0 HA ARG A 781 -7.372 11.864 1.813 1.00 0.00 H new ATOM 0 HB2 ARG A 781 -5.189 13.628 0.652 1.00 0.00 H new ATOM 0 HB3 ARG A 781 -6.183 13.952 2.059 1.00 0.00 H new ATOM 0 HG2 ARG A 781 -5.081 11.676 2.933 1.00 0.00 H new ATOM 0 HG3 ARG A 781 -3.836 12.103 1.775 1.00 0.00 H new ATOM 0 HD2 ARG A 781 -3.225 13.048 3.917 1.00 0.00 H new ATOM 0 HD3 ARG A 781 -3.652 14.364 2.842 1.00 0.00 H new ATOM 0 HE ARG A 781 -6.022 13.676 4.212 1.00 0.00 H new ATOM 0 HH11 ARG A 781 -2.783 14.870 4.952 1.00 0.00 H new ATOM 0 HH12 ARG A 781 -3.311 15.757 6.386 1.00 0.00 H new ATOM 0 HH21 ARG A 781 -6.693 14.818 6.054 1.00 0.00 H new ATOM 0 HH22 ARG A 781 -5.516 15.728 7.007 1.00 0.00 H new