USER MOD reduce.3.24.130724 H: found=0, std=0, add=505, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 504 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 663 MET CE :methyl -128:sc= -1.74 (180deg=-5.84!) USER MOD Single : A 664 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 665 GLN : amide:sc= -0.0184 K(o=-0.018,f=-3.1!) USER MOD Single : A 667 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 669 MET CE :methyl -166:sc= -3.19 (180deg=-4.35!) USER MOD Single : A 676 SER OG : rot 180:sc= 0 USER MOD Single : A 679 SER OG : rot 170:sc= -0.194 USER MOD Single : A 680 THR OG1 : rot 180:sc= 0 USER MOD Single : A 683 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 686 HIS : no HD1:sc= -9.81! C(o=-9.8!,f=-9.9!) USER MOD Single : A 687 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 694 TYR OH : rot 180:sc= -1.75! USER MOD Single : A 698 ASN : amide:sc= -0.0166 K(o=-0.017,f=-0.81) USER MOD Single : A 700 LYS NZ :NH3+ 149:sc= -0.243 (180deg=-1.14) USER MOD Single : A 703 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 704 GLN : amide:sc= -0.0933 K(o=-0.093,f=-1.3!) USER MOD Single : A 708 GLN : amide:sc= 0 X(o=0,f=-0.083) USER MOD Single : A 709 TYR OH : rot 50:sc= -0.917 USER MOD Single : A 711 LYS NZ :NH3+ 153:sc= -0.151 (180deg=-0.747) USER MOD Single : A 712 THR OG1 : rot -80:sc= 0.554 USER MOD ----------------------------------------------------------------- ATOM 184 N PRO A 658 3.359 -16.847 -0.528 1.00 0.00 N ATOM 185 CA PRO A 658 2.821 -16.329 -1.790 1.00 0.00 C ATOM 186 C PRO A 658 2.592 -14.822 -1.747 1.00 0.00 C ATOM 187 O PRO A 658 2.432 -14.238 -0.674 1.00 0.00 O ATOM 188 CB PRO A 658 1.489 -17.068 -1.937 1.00 0.00 C ATOM 189 CG PRO A 658 1.095 -17.421 -0.545 1.00 0.00 C ATOM 190 CD PRO A 658 2.379 -17.672 0.198 1.00 0.00 C ATOM 0 HA PRO A 658 3.507 -16.489 -2.622 1.00 0.00 H new ATOM 0 HB2 PRO A 658 0.738 -16.438 -2.413 1.00 0.00 H new ATOM 0 HB3 PRO A 658 1.597 -17.959 -2.556 1.00 0.00 H new ATOM 0 HG2 PRO A 658 0.528 -16.613 -0.083 1.00 0.00 H new ATOM 0 HG3 PRO A 658 0.457 -18.305 -0.532 1.00 0.00 H new ATOM 0 HD2 PRO A 658 2.302 -17.377 1.245 1.00 0.00 H new ATOM 0 HD3 PRO A 658 2.652 -18.727 0.183 1.00 0.00 H new ATOM 198 N LEU A 659 2.576 -14.197 -2.919 1.00 0.00 N ATOM 199 CA LEU A 659 2.365 -12.756 -3.015 1.00 0.00 C ATOM 200 C LEU A 659 1.029 -12.359 -2.396 1.00 0.00 C ATOM 201 O LEU A 659 0.965 -11.453 -1.565 1.00 0.00 O ATOM 202 CB LEU A 659 2.416 -12.310 -4.477 1.00 0.00 C ATOM 203 CG LEU A 659 2.489 -10.802 -4.717 1.00 0.00 C ATOM 204 CD1 LEU A 659 3.872 -10.273 -4.368 1.00 0.00 C ATOM 205 CD2 LEU A 659 2.139 -10.473 -6.161 1.00 0.00 C ATOM 0 H LEU A 659 2.706 -14.665 -3.816 1.00 0.00 H new ATOM 0 HA LEU A 659 3.162 -12.259 -2.462 1.00 0.00 H new ATOM 0 HB2 LEU A 659 3.282 -12.775 -4.948 1.00 0.00 H new ATOM 0 HB3 LEU A 659 1.532 -12.696 -4.985 1.00 0.00 H new ATOM 0 HG LEU A 659 1.761 -10.315 -4.068 1.00 0.00 H new ATOM 0 HD11 LEU A 659 3.906 -9.198 -4.545 1.00 0.00 H new ATOM 0 HD12 LEU A 659 4.084 -10.475 -3.318 1.00 0.00 H new ATOM 0 HD13 LEU A 659 4.618 -10.767 -4.991 1.00 0.00 H new ATOM 0 HD21 LEU A 659 2.196 -9.395 -6.313 1.00 0.00 H new ATOM 0 HD22 LEU A 659 2.842 -10.971 -6.828 1.00 0.00 H new ATOM 0 HD23 LEU A 659 1.127 -10.817 -6.378 1.00 0.00 H new ATOM 217 N GLU A 660 -0.034 -13.044 -2.805 1.00 0.00 N ATOM 218 CA GLU A 660 -1.368 -12.762 -2.289 1.00 0.00 C ATOM 219 C GLU A 660 -1.370 -12.748 -0.763 1.00 0.00 C ATOM 220 O GLU A 660 -2.102 -11.980 -0.139 1.00 0.00 O ATOM 221 CB GLU A 660 -2.367 -13.802 -2.801 1.00 0.00 C ATOM 222 CG GLU A 660 -3.762 -13.646 -2.217 1.00 0.00 C ATOM 223 CD GLU A 660 -4.547 -12.528 -2.874 1.00 0.00 C ATOM 224 OE1 GLU A 660 -4.450 -11.377 -2.400 1.00 0.00 O ATOM 225 OE2 GLU A 660 -5.259 -12.804 -3.862 1.00 0.00 O ATOM 0 H GLU A 660 0.003 -13.797 -3.492 1.00 0.00 H new ATOM 0 HA GLU A 660 -1.666 -11.776 -2.645 1.00 0.00 H new ATOM 0 HB2 GLU A 660 -2.427 -13.732 -3.887 1.00 0.00 H new ATOM 0 HB3 GLU A 660 -1.993 -14.799 -2.566 1.00 0.00 H new ATOM 0 HG2 GLU A 660 -4.307 -14.583 -2.331 1.00 0.00 H new ATOM 0 HG3 GLU A 660 -3.684 -13.451 -1.147 1.00 0.00 H new ATOM 232 N ALA A 661 -0.545 -13.603 -0.168 1.00 0.00 N ATOM 233 CA ALA A 661 -0.449 -13.689 1.284 1.00 0.00 C ATOM 234 C ALA A 661 0.231 -12.453 1.863 1.00 0.00 C ATOM 235 O ALA A 661 -0.412 -11.622 2.504 1.00 0.00 O ATOM 236 CB ALA A 661 0.304 -14.947 1.690 1.00 0.00 C ATOM 0 H ALA A 661 0.067 -14.247 -0.670 1.00 0.00 H new ATOM 0 HA ALA A 661 -1.460 -13.738 1.688 1.00 0.00 H new ATOM 0 HB1 ALA A 661 0.368 -14.998 2.777 1.00 0.00 H new ATOM 0 HB2 ALA A 661 -0.224 -15.824 1.316 1.00 0.00 H new ATOM 0 HB3 ALA A 661 1.309 -14.922 1.268 1.00 0.00 H new ATOM 242 N ARG A 662 1.535 -12.339 1.633 1.00 0.00 N ATOM 243 CA ARG A 662 2.303 -11.205 2.134 1.00 0.00 C ATOM 244 C ARG A 662 1.595 -9.889 1.823 1.00 0.00 C ATOM 245 O ARG A 662 1.415 -9.047 2.703 1.00 0.00 O ATOM 246 CB ARG A 662 3.704 -11.199 1.520 1.00 0.00 C ATOM 247 CG ARG A 662 3.711 -11.419 0.016 1.00 0.00 C ATOM 248 CD ARG A 662 5.008 -12.064 -0.446 1.00 0.00 C ATOM 249 NE ARG A 662 6.125 -11.123 -0.427 1.00 0.00 N ATOM 250 CZ ARG A 662 7.382 -11.469 -0.681 1.00 0.00 C ATOM 251 NH1 ARG A 662 7.681 -12.727 -0.971 1.00 0.00 N ATOM 252 NH2 ARG A 662 8.343 -10.554 -0.644 1.00 0.00 N ATOM 0 H ARG A 662 2.082 -13.018 1.103 1.00 0.00 H new ATOM 0 HA ARG A 662 2.388 -11.306 3.216 1.00 0.00 H new ATOM 0 HB2 ARG A 662 4.184 -10.246 1.741 1.00 0.00 H new ATOM 0 HB3 ARG A 662 4.303 -11.976 1.995 1.00 0.00 H new ATOM 0 HG2 ARG A 662 2.869 -12.052 -0.264 1.00 0.00 H new ATOM 0 HG3 ARG A 662 3.576 -10.465 -0.493 1.00 0.00 H new ATOM 0 HD2 ARG A 662 5.239 -12.914 0.196 1.00 0.00 H new ATOM 0 HD3 ARG A 662 4.879 -12.454 -1.456 1.00 0.00 H new ATOM 0 HE ARG A 662 5.929 -10.147 -0.207 1.00 0.00 H new ATOM 0 HH11 ARG A 662 6.945 -13.433 -1.000 1.00 0.00 H new ATOM 0 HH12 ARG A 662 8.647 -12.990 -1.166 1.00 0.00 H new ATOM 0 HH21 ARG A 662 8.116 -9.585 -0.420 1.00 0.00 H new ATOM 0 HH22 ARG A 662 9.308 -10.820 -0.839 1.00 0.00 H new ATOM 266 N MET A 663 1.196 -9.720 0.567 1.00 0.00 N ATOM 267 CA MET A 663 0.507 -8.507 0.141 1.00 0.00 C ATOM 268 C MET A 663 -0.738 -8.263 0.988 1.00 0.00 C ATOM 269 O MET A 663 -0.984 -7.145 1.440 1.00 0.00 O ATOM 270 CB MET A 663 0.122 -8.606 -1.336 1.00 0.00 C ATOM 271 CG MET A 663 1.270 -8.306 -2.286 1.00 0.00 C ATOM 272 SD MET A 663 0.708 -7.917 -3.954 1.00 0.00 S ATOM 273 CE MET A 663 1.783 -6.544 -4.362 1.00 0.00 C ATOM 0 H MET A 663 1.338 -10.407 -0.173 1.00 0.00 H new ATOM 0 HA MET A 663 1.187 -7.666 0.276 1.00 0.00 H new ATOM 0 HB2 MET A 663 -0.253 -9.609 -1.538 1.00 0.00 H new ATOM 0 HB3 MET A 663 -0.695 -7.913 -1.537 1.00 0.00 H new ATOM 0 HG2 MET A 663 1.849 -7.468 -1.897 1.00 0.00 H new ATOM 0 HG3 MET A 663 1.939 -9.165 -2.324 1.00 0.00 H new ATOM 0 HE1 MET A 663 1.183 -5.703 -4.709 1.00 0.00 H new ATOM 0 HE2 MET A 663 2.346 -6.247 -3.477 1.00 0.00 H new ATOM 0 HE3 MET A 663 2.475 -6.845 -5.148 1.00 0.00 H new ATOM 283 N LYS A 664 -1.520 -9.316 1.200 1.00 0.00 N ATOM 284 CA LYS A 664 -2.739 -9.217 1.993 1.00 0.00 C ATOM 285 C LYS A 664 -2.441 -8.660 3.381 1.00 0.00 C ATOM 286 O LYS A 664 -3.180 -7.821 3.894 1.00 0.00 O ATOM 287 CB LYS A 664 -3.406 -10.589 2.115 1.00 0.00 C ATOM 288 CG LYS A 664 -4.274 -10.952 0.923 1.00 0.00 C ATOM 289 CD LYS A 664 -5.678 -10.390 1.064 1.00 0.00 C ATOM 290 CE LYS A 664 -6.567 -11.312 1.885 1.00 0.00 C ATOM 291 NZ LYS A 664 -7.631 -10.559 2.606 1.00 0.00 N ATOM 0 H LYS A 664 -1.331 -10.249 0.833 1.00 0.00 H new ATOM 0 HA LYS A 664 -3.419 -8.533 1.484 1.00 0.00 H new ATOM 0 HB2 LYS A 664 -2.634 -11.349 2.237 1.00 0.00 H new ATOM 0 HB3 LYS A 664 -4.017 -10.608 3.018 1.00 0.00 H new ATOM 0 HG2 LYS A 664 -3.818 -10.569 0.010 1.00 0.00 H new ATOM 0 HG3 LYS A 664 -4.323 -12.036 0.825 1.00 0.00 H new ATOM 0 HD2 LYS A 664 -5.633 -9.409 1.538 1.00 0.00 H new ATOM 0 HD3 LYS A 664 -6.115 -10.247 0.076 1.00 0.00 H new ATOM 0 HE2 LYS A 664 -7.026 -12.052 1.230 1.00 0.00 H new ATOM 0 HE3 LYS A 664 -5.957 -11.858 2.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 664 -8.215 -11.222 3.154 1.00 0.00 H new ATOM 0 HZ2 LYS A 664 -7.193 -9.870 3.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 664 -8.229 -10.058 1.918 1.00 0.00 H new ATOM 305 N GLN A 665 -1.353 -9.131 3.982 1.00 0.00 N ATOM 306 CA GLN A 665 -0.958 -8.678 5.311 1.00 0.00 C ATOM 307 C GLN A 665 -0.720 -7.172 5.324 1.00 0.00 C ATOM 308 O GLN A 665 -1.334 -6.443 6.103 1.00 0.00 O ATOM 309 CB GLN A 665 0.306 -9.410 5.767 1.00 0.00 C ATOM 310 CG GLN A 665 0.202 -10.923 5.668 1.00 0.00 C ATOM 311 CD GLN A 665 1.374 -11.632 6.317 1.00 0.00 C ATOM 312 OE1 GLN A 665 2.398 -11.877 5.677 1.00 0.00 O ATOM 313 NE2 GLN A 665 1.232 -11.966 7.594 1.00 0.00 N ATOM 0 H GLN A 665 -0.730 -9.826 3.570 1.00 0.00 H new ATOM 0 HA GLN A 665 -1.770 -8.905 6.001 1.00 0.00 H new ATOM 0 HB2 GLN A 665 1.149 -9.072 5.164 1.00 0.00 H new ATOM 0 HB3 GLN A 665 0.522 -9.136 6.800 1.00 0.00 H new ATOM 0 HG2 GLN A 665 -0.724 -11.251 6.141 1.00 0.00 H new ATOM 0 HG3 GLN A 665 0.144 -11.211 4.618 1.00 0.00 H new ATOM 0 HE21 GLN A 665 0.367 -11.744 8.086 1.00 0.00 H new ATOM 0 HE22 GLN A 665 1.988 -12.445 8.083 1.00 0.00 H new ATOM 322 N PHE A 666 0.175 -6.711 4.457 1.00 0.00 N ATOM 323 CA PHE A 666 0.495 -5.291 4.369 1.00 0.00 C ATOM 324 C PHE A 666 -0.775 -4.453 4.257 1.00 0.00 C ATOM 325 O PHE A 666 -0.958 -3.479 4.987 1.00 0.00 O ATOM 326 CB PHE A 666 1.404 -5.024 3.168 1.00 0.00 C ATOM 327 CG PHE A 666 2.127 -3.710 3.244 1.00 0.00 C ATOM 328 CD1 PHE A 666 3.317 -3.597 3.944 1.00 0.00 C ATOM 329 CD2 PHE A 666 1.615 -2.586 2.615 1.00 0.00 C ATOM 330 CE1 PHE A 666 3.985 -2.389 4.015 1.00 0.00 C ATOM 331 CE2 PHE A 666 2.279 -1.375 2.682 1.00 0.00 C ATOM 332 CZ PHE A 666 3.464 -1.276 3.384 1.00 0.00 C ATOM 0 H PHE A 666 0.692 -7.301 3.805 1.00 0.00 H new ATOM 0 HA PHE A 666 1.018 -5.005 5.282 1.00 0.00 H new ATOM 0 HB2 PHE A 666 2.136 -5.828 3.090 1.00 0.00 H new ATOM 0 HB3 PHE A 666 0.806 -5.048 2.257 1.00 0.00 H new ATOM 0 HD1 PHE A 666 3.728 -4.464 4.440 1.00 0.00 H new ATOM 0 HD2 PHE A 666 0.687 -2.657 2.067 1.00 0.00 H new ATOM 0 HE1 PHE A 666 4.913 -2.315 4.563 1.00 0.00 H new ATOM 0 HE2 PHE A 666 1.871 -0.507 2.186 1.00 0.00 H new ATOM 0 HZ PHE A 666 3.982 -0.330 3.440 1.00 0.00 H new ATOM 342 N LYS A 667 -1.651 -4.839 3.335 1.00 0.00 N ATOM 343 CA LYS A 667 -2.906 -4.126 3.124 1.00 0.00 C ATOM 344 C LYS A 667 -3.776 -4.175 4.376 1.00 0.00 C ATOM 345 O LYS A 667 -4.463 -3.208 4.704 1.00 0.00 O ATOM 346 CB LYS A 667 -3.664 -4.726 1.939 1.00 0.00 C ATOM 347 CG LYS A 667 -4.811 -3.859 1.448 1.00 0.00 C ATOM 348 CD LYS A 667 -5.829 -4.670 0.665 1.00 0.00 C ATOM 349 CE LYS A 667 -7.041 -3.832 0.291 1.00 0.00 C ATOM 350 NZ LYS A 667 -8.269 -4.663 0.151 1.00 0.00 N ATOM 0 H LYS A 667 -1.515 -5.642 2.721 1.00 0.00 H new ATOM 0 HA LYS A 667 -2.671 -3.084 2.907 1.00 0.00 H new ATOM 0 HB2 LYS A 667 -2.966 -4.890 1.118 1.00 0.00 H new ATOM 0 HB3 LYS A 667 -4.055 -5.703 2.225 1.00 0.00 H new ATOM 0 HG2 LYS A 667 -5.300 -3.385 2.299 1.00 0.00 H new ATOM 0 HG3 LYS A 667 -4.420 -3.059 0.819 1.00 0.00 H new ATOM 0 HD2 LYS A 667 -5.364 -5.063 -0.239 1.00 0.00 H new ATOM 0 HD3 LYS A 667 -6.147 -5.527 1.259 1.00 0.00 H new ATOM 0 HE2 LYS A 667 -7.204 -3.069 1.052 1.00 0.00 H new ATOM 0 HE3 LYS A 667 -6.847 -3.311 -0.646 1.00 0.00 H new ATOM 0 HZ1 LYS A 667 -9.073 -4.054 -0.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 667 -8.123 -5.375 -0.593 1.00 0.00 H new ATOM 0 HZ3 LYS A 667 -8.470 -5.141 1.053 1.00 0.00 H new ATOM 364 N ASP A 668 -3.741 -5.307 5.071 1.00 0.00 N ATOM 365 CA ASP A 668 -4.525 -5.481 6.288 1.00 0.00 C ATOM 366 C ASP A 668 -4.144 -4.437 7.334 1.00 0.00 C ATOM 367 O ASP A 668 -5.011 -3.833 7.965 1.00 0.00 O ATOM 368 CB ASP A 668 -4.321 -6.887 6.856 1.00 0.00 C ATOM 369 CG ASP A 668 -5.324 -7.883 6.309 1.00 0.00 C ATOM 370 OD1 ASP A 668 -5.179 -8.289 5.137 1.00 0.00 O ATOM 371 OD2 ASP A 668 -6.254 -8.257 7.053 1.00 0.00 O ATOM 0 H ASP A 668 -3.178 -6.117 4.812 1.00 0.00 H new ATOM 0 HA ASP A 668 -5.577 -5.349 6.034 1.00 0.00 H new ATOM 0 HB2 ASP A 668 -3.312 -7.227 6.623 1.00 0.00 H new ATOM 0 HB3 ASP A 668 -4.403 -6.852 7.942 1.00 0.00 H new ATOM 376 N MET A 669 -2.843 -4.232 7.511 1.00 0.00 N ATOM 377 CA MET A 669 -2.349 -3.261 8.480 1.00 0.00 C ATOM 378 C MET A 669 -2.595 -1.836 7.996 1.00 0.00 C ATOM 379 O MET A 669 -2.935 -0.952 8.784 1.00 0.00 O ATOM 380 CB MET A 669 -0.855 -3.475 8.732 1.00 0.00 C ATOM 381 CG MET A 669 -0.028 -3.548 7.458 1.00 0.00 C ATOM 382 SD MET A 669 1.741 -3.676 7.784 1.00 0.00 S ATOM 383 CE MET A 669 2.372 -2.361 6.745 1.00 0.00 C ATOM 0 H MET A 669 -2.113 -4.725 6.997 1.00 0.00 H new ATOM 0 HA MET A 669 -2.893 -3.408 9.413 1.00 0.00 H new ATOM 0 HB2 MET A 669 -0.480 -2.662 9.353 1.00 0.00 H new ATOM 0 HB3 MET A 669 -0.719 -4.397 9.297 1.00 0.00 H new ATOM 0 HG2 MET A 669 -0.348 -4.408 6.870 1.00 0.00 H new ATOM 0 HG3 MET A 669 -0.219 -2.661 6.854 1.00 0.00 H new ATOM 0 HE1 MET A 669 3.452 -2.467 6.640 1.00 0.00 H new ATOM 0 HE2 MET A 669 1.904 -2.418 5.762 1.00 0.00 H new ATOM 0 HE3 MET A 669 2.145 -1.397 7.200 1.00 0.00 H new ATOM 393 N LEU A 670 -2.421 -1.619 6.697 1.00 0.00 N ATOM 394 CA LEU A 670 -2.625 -0.300 6.108 1.00 0.00 C ATOM 395 C LEU A 670 -3.991 0.261 6.487 1.00 0.00 C ATOM 396 O LEU A 670 -4.107 1.415 6.903 1.00 0.00 O ATOM 397 CB LEU A 670 -2.496 -0.375 4.585 1.00 0.00 C ATOM 398 CG LEU A 670 -1.071 -0.405 4.032 1.00 0.00 C ATOM 399 CD1 LEU A 670 -1.089 -0.497 2.514 1.00 0.00 C ATOM 400 CD2 LEU A 670 -0.297 0.824 4.485 1.00 0.00 C ATOM 0 H LEU A 670 -2.139 -2.339 6.032 1.00 0.00 H new ATOM 0 HA LEU A 670 -1.858 0.368 6.500 1.00 0.00 H new ATOM 0 HB2 LEU A 670 -3.017 -1.268 4.240 1.00 0.00 H new ATOM 0 HB3 LEU A 670 -3.013 0.482 4.154 1.00 0.00 H new ATOM 0 HG LEU A 670 -0.569 -1.290 4.423 1.00 0.00 H new ATOM 0 HD11 LEU A 670 -0.066 -0.517 2.139 1.00 0.00 H new ATOM 0 HD12 LEU A 670 -1.605 -1.408 2.211 1.00 0.00 H new ATOM 0 HD13 LEU A 670 -1.609 0.368 2.103 1.00 0.00 H new ATOM 0 HD21 LEU A 670 0.715 0.786 4.082 1.00 0.00 H new ATOM 0 HD22 LEU A 670 -0.797 1.723 4.124 1.00 0.00 H new ATOM 0 HD23 LEU A 670 -0.253 0.846 5.574 1.00 0.00 H new ATOM 412 N LEU A 671 -5.023 -0.562 6.344 1.00 0.00 N ATOM 413 CA LEU A 671 -6.383 -0.149 6.675 1.00 0.00 C ATOM 414 C LEU A 671 -6.603 -0.157 8.184 1.00 0.00 C ATOM 415 O LEU A 671 -7.083 0.822 8.755 1.00 0.00 O ATOM 416 CB LEU A 671 -7.397 -1.072 5.996 1.00 0.00 C ATOM 417 CG LEU A 671 -8.837 -0.972 6.498 1.00 0.00 C ATOM 418 CD1 LEU A 671 -9.457 0.352 6.082 1.00 0.00 C ATOM 419 CD2 LEU A 671 -9.666 -2.138 5.977 1.00 0.00 C ATOM 0 H LEU A 671 -4.945 -1.519 6.001 1.00 0.00 H new ATOM 0 HA LEU A 671 -6.526 0.868 6.311 1.00 0.00 H new ATOM 0 HB2 LEU A 671 -7.391 -0.861 4.927 1.00 0.00 H new ATOM 0 HB3 LEU A 671 -7.061 -2.101 6.120 1.00 0.00 H new ATOM 0 HG LEU A 671 -8.825 -1.018 7.587 1.00 0.00 H new ATOM 0 HD11 LEU A 671 -10.482 0.405 6.448 1.00 0.00 H new ATOM 0 HD12 LEU A 671 -8.878 1.173 6.504 1.00 0.00 H new ATOM 0 HD13 LEU A 671 -9.456 0.429 4.995 1.00 0.00 H new ATOM 0 HD21 LEU A 671 -10.688 -2.050 6.344 1.00 0.00 H new ATOM 0 HD22 LEU A 671 -9.670 -2.124 4.887 1.00 0.00 H new ATOM 0 HD23 LEU A 671 -9.234 -3.076 6.326 1.00 0.00 H new ATOM 431 N GLU A 672 -6.247 -1.267 8.823 1.00 0.00 N ATOM 432 CA GLU A 672 -6.404 -1.400 10.267 1.00 0.00 C ATOM 433 C GLU A 672 -5.739 -0.236 10.996 1.00 0.00 C ATOM 434 O GLU A 672 -6.410 0.577 11.632 1.00 0.00 O ATOM 435 CB GLU A 672 -5.809 -2.725 10.747 1.00 0.00 C ATOM 436 CG GLU A 672 -6.771 -3.897 10.646 1.00 0.00 C ATOM 437 CD GLU A 672 -6.232 -5.152 11.304 1.00 0.00 C ATOM 438 OE1 GLU A 672 -5.728 -5.056 12.442 1.00 0.00 O ATOM 439 OE2 GLU A 672 -6.316 -6.231 10.680 1.00 0.00 O ATOM 0 H GLU A 672 -5.848 -2.086 8.364 1.00 0.00 H new ATOM 0 HA GLU A 672 -7.470 -1.386 10.494 1.00 0.00 H new ATOM 0 HB2 GLU A 672 -4.917 -2.946 10.161 1.00 0.00 H new ATOM 0 HB3 GLU A 672 -5.490 -2.616 11.784 1.00 0.00 H new ATOM 0 HG2 GLU A 672 -7.719 -3.626 11.111 1.00 0.00 H new ATOM 0 HG3 GLU A 672 -6.979 -4.102 9.596 1.00 0.00 H new ATOM 446 N ARG A 673 -4.415 -0.165 10.900 1.00 0.00 N ATOM 447 CA ARG A 673 -3.658 0.897 11.552 1.00 0.00 C ATOM 448 C ARG A 673 -4.337 2.249 11.354 1.00 0.00 C ATOM 449 O ARG A 673 -4.253 3.129 12.209 1.00 0.00 O ATOM 450 CB ARG A 673 -2.231 0.946 11.003 1.00 0.00 C ATOM 451 CG ARG A 673 -1.313 -0.109 11.599 1.00 0.00 C ATOM 452 CD ARG A 673 -0.886 0.257 13.011 1.00 0.00 C ATOM 453 NE ARG A 673 0.036 1.389 13.028 1.00 0.00 N ATOM 454 CZ ARG A 673 0.478 1.961 14.143 1.00 0.00 C ATOM 455 NH1 ARG A 673 0.085 1.508 15.325 1.00 0.00 N ATOM 456 NH2 ARG A 673 1.316 2.987 14.076 1.00 0.00 N ATOM 0 H ARG A 673 -3.845 -0.830 10.377 1.00 0.00 H new ATOM 0 HA ARG A 673 -3.622 0.681 12.620 1.00 0.00 H new ATOM 0 HB2 ARG A 673 -2.262 0.819 9.921 1.00 0.00 H new ATOM 0 HB3 ARG A 673 -1.810 1.933 11.196 1.00 0.00 H new ATOM 0 HG2 ARG A 673 -1.823 -1.072 11.610 1.00 0.00 H new ATOM 0 HG3 ARG A 673 -0.431 -0.223 10.969 1.00 0.00 H new ATOM 0 HD2 ARG A 673 -1.767 0.498 13.605 1.00 0.00 H new ATOM 0 HD3 ARG A 673 -0.411 -0.604 13.481 1.00 0.00 H new ATOM 0 HE ARG A 673 0.359 1.761 12.135 1.00 0.00 H new ATOM 0 HH11 ARG A 673 -0.558 0.718 15.380 1.00 0.00 H new ATOM 0 HH12 ARG A 673 0.426 1.949 16.179 1.00 0.00 H new ATOM 0 HH21 ARG A 673 1.622 3.337 13.168 1.00 0.00 H new ATOM 0 HH22 ARG A 673 1.655 3.426 14.932 1.00 0.00 H new ATOM 470 N GLY A 674 -5.011 2.407 10.219 1.00 0.00 N ATOM 471 CA GLY A 674 -5.694 3.654 9.928 1.00 0.00 C ATOM 472 C GLY A 674 -4.864 4.582 9.063 1.00 0.00 C ATOM 473 O GLY A 674 -4.759 5.776 9.344 1.00 0.00 O ATOM 0 H GLY A 674 -5.096 1.693 9.495 1.00 0.00 H new ATOM 0 HA2 GLY A 674 -6.637 3.439 9.425 1.00 0.00 H new ATOM 0 HA3 GLY A 674 -5.940 4.157 10.863 1.00 0.00 H new ATOM 477 N VAL A 675 -4.271 4.032 8.008 1.00 0.00 N ATOM 478 CA VAL A 675 -3.445 4.818 7.100 1.00 0.00 C ATOM 479 C VAL A 675 -4.300 5.739 6.238 1.00 0.00 C ATOM 480 O VAL A 675 -4.729 5.364 5.146 1.00 0.00 O ATOM 481 CB VAL A 675 -2.601 3.913 6.183 1.00 0.00 C ATOM 482 CG1 VAL A 675 -1.880 4.742 5.131 1.00 0.00 C ATOM 483 CG2 VAL A 675 -1.611 3.100 7.003 1.00 0.00 C ATOM 0 H VAL A 675 -4.347 3.045 7.761 1.00 0.00 H new ATOM 0 HA VAL A 675 -2.778 5.419 7.719 1.00 0.00 H new ATOM 0 HB VAL A 675 -3.269 3.221 5.670 1.00 0.00 H new ATOM 0 HG11 VAL A 675 -1.289 4.085 4.493 1.00 0.00 H new ATOM 0 HG12 VAL A 675 -2.611 5.276 4.524 1.00 0.00 H new ATOM 0 HG13 VAL A 675 -1.222 5.460 5.621 1.00 0.00 H new ATOM 0 HG21 VAL A 675 -1.023 2.466 6.339 1.00 0.00 H new ATOM 0 HG22 VAL A 675 -0.947 3.774 7.544 1.00 0.00 H new ATOM 0 HG23 VAL A 675 -2.153 2.477 7.714 1.00 0.00 H new ATOM 493 N SER A 676 -4.545 6.947 6.735 1.00 0.00 N ATOM 494 CA SER A 676 -5.353 7.922 6.011 1.00 0.00 C ATOM 495 C SER A 676 -4.769 8.192 4.628 1.00 0.00 C ATOM 496 O SER A 676 -3.606 8.573 4.497 1.00 0.00 O ATOM 497 CB SER A 676 -5.444 9.228 6.803 1.00 0.00 C ATOM 498 OG SER A 676 -5.978 9.005 8.097 1.00 0.00 O ATOM 0 H SER A 676 -4.196 7.274 7.636 1.00 0.00 H new ATOM 0 HA SER A 676 -6.354 7.509 5.889 1.00 0.00 H new ATOM 0 HB2 SER A 676 -4.454 9.675 6.887 1.00 0.00 H new ATOM 0 HB3 SER A 676 -6.071 9.940 6.266 1.00 0.00 H new ATOM 0 HG SER A 676 -6.024 9.855 8.583 1.00 0.00 H new ATOM 504 N ALA A 677 -5.585 7.992 3.599 1.00 0.00 N ATOM 505 CA ALA A 677 -5.151 8.215 2.225 1.00 0.00 C ATOM 506 C ALA A 677 -4.643 9.640 2.035 1.00 0.00 C ATOM 507 O ALA A 677 -3.747 9.888 1.227 1.00 0.00 O ATOM 508 CB ALA A 677 -6.290 7.926 1.258 1.00 0.00 C ATOM 0 H ALA A 677 -6.550 7.676 3.690 1.00 0.00 H new ATOM 0 HA ALA A 677 -4.328 7.532 2.015 1.00 0.00 H new ATOM 0 HB1 ALA A 677 -5.952 8.097 0.236 1.00 0.00 H new ATOM 0 HB2 ALA A 677 -6.606 6.888 1.367 1.00 0.00 H new ATOM 0 HB3 ALA A 677 -7.130 8.586 1.477 1.00 0.00 H new ATOM 514 N PHE A 678 -5.220 10.575 2.783 1.00 0.00 N ATOM 515 CA PHE A 678 -4.826 11.976 2.695 1.00 0.00 C ATOM 516 C PHE A 678 -3.432 12.186 3.277 1.00 0.00 C ATOM 517 O PHE A 678 -2.748 13.154 2.945 1.00 0.00 O ATOM 518 CB PHE A 678 -5.837 12.859 3.430 1.00 0.00 C ATOM 519 CG PHE A 678 -7.235 12.746 2.893 1.00 0.00 C ATOM 520 CD1 PHE A 678 -7.650 13.538 1.835 1.00 0.00 C ATOM 521 CD2 PHE A 678 -8.133 11.847 3.446 1.00 0.00 C ATOM 522 CE1 PHE A 678 -8.936 13.436 1.337 1.00 0.00 C ATOM 523 CE2 PHE A 678 -9.420 11.741 2.952 1.00 0.00 C ATOM 524 CZ PHE A 678 -9.822 12.537 1.897 1.00 0.00 C ATOM 0 H PHE A 678 -5.962 10.387 3.457 1.00 0.00 H new ATOM 0 HA PHE A 678 -4.807 12.257 1.642 1.00 0.00 H new ATOM 0 HB2 PHE A 678 -5.840 12.592 4.487 1.00 0.00 H new ATOM 0 HB3 PHE A 678 -5.514 13.898 3.365 1.00 0.00 H new ATOM 0 HD1 PHE A 678 -6.961 14.243 1.394 1.00 0.00 H new ATOM 0 HD2 PHE A 678 -7.824 11.223 4.271 1.00 0.00 H new ATOM 0 HE1 PHE A 678 -9.247 14.059 0.511 1.00 0.00 H new ATOM 0 HE2 PHE A 678 -10.111 11.036 3.391 1.00 0.00 H new ATOM 0 HZ PHE A 678 -10.827 12.456 1.511 1.00 0.00 H new ATOM 534 N SER A 679 -3.017 11.273 4.149 1.00 0.00 N ATOM 535 CA SER A 679 -1.706 11.359 4.782 1.00 0.00 C ATOM 536 C SER A 679 -0.594 11.158 3.757 1.00 0.00 C ATOM 537 O SER A 679 -0.853 10.840 2.596 1.00 0.00 O ATOM 538 CB SER A 679 -1.584 10.318 5.896 1.00 0.00 C ATOM 539 OG SER A 679 -0.372 10.478 6.613 1.00 0.00 O ATOM 0 H SER A 679 -3.570 10.465 4.434 1.00 0.00 H new ATOM 0 HA SER A 679 -1.603 12.355 5.213 1.00 0.00 H new ATOM 0 HB2 SER A 679 -2.429 10.410 6.578 1.00 0.00 H new ATOM 0 HB3 SER A 679 -1.628 9.316 5.468 1.00 0.00 H new ATOM 0 HG SER A 679 -0.389 9.913 7.414 1.00 0.00 H new ATOM 545 N THR A 680 0.647 11.346 4.196 1.00 0.00 N ATOM 546 CA THR A 680 1.800 11.186 3.318 1.00 0.00 C ATOM 547 C THR A 680 2.530 9.878 3.601 1.00 0.00 C ATOM 548 O THR A 680 2.407 9.310 4.686 1.00 0.00 O ATOM 549 CB THR A 680 2.789 12.357 3.473 1.00 0.00 C ATOM 550 OG1 THR A 680 3.086 12.568 4.857 1.00 0.00 O ATOM 551 CG2 THR A 680 2.218 13.632 2.871 1.00 0.00 C ATOM 0 H THR A 680 0.879 11.609 5.154 1.00 0.00 H new ATOM 0 HA THR A 680 1.420 11.172 2.296 1.00 0.00 H new ATOM 0 HB THR A 680 3.705 12.102 2.940 1.00 0.00 H new ATOM 0 HG1 THR A 680 3.717 13.313 4.946 1.00 0.00 H new ATOM 0 HG21 THR A 680 2.934 14.444 2.993 1.00 0.00 H new ATOM 0 HG22 THR A 680 2.022 13.477 1.810 1.00 0.00 H new ATOM 0 HG23 THR A 680 1.288 13.889 3.378 1.00 0.00 H new ATOM 559 N TRP A 681 3.289 9.406 2.619 1.00 0.00 N ATOM 560 CA TRP A 681 4.040 8.164 2.764 1.00 0.00 C ATOM 561 C TRP A 681 5.028 8.257 3.921 1.00 0.00 C ATOM 562 O TRP A 681 5.299 7.265 4.598 1.00 0.00 O ATOM 563 CB TRP A 681 4.783 7.839 1.467 1.00 0.00 C ATOM 564 CG TRP A 681 5.825 6.774 1.631 1.00 0.00 C ATOM 565 CD1 TRP A 681 7.175 6.920 1.487 1.00 0.00 C ATOM 566 CD2 TRP A 681 5.601 5.401 1.967 1.00 0.00 C ATOM 567 NE1 TRP A 681 7.805 5.720 1.713 1.00 0.00 N ATOM 568 CE2 TRP A 681 6.861 4.772 2.010 1.00 0.00 C ATOM 569 CE3 TRP A 681 4.460 4.641 2.237 1.00 0.00 C ATOM 570 CZ2 TRP A 681 7.008 3.421 2.312 1.00 0.00 C ATOM 571 CZ3 TRP A 681 4.608 3.300 2.535 1.00 0.00 C ATOM 572 CH2 TRP A 681 5.874 2.701 2.572 1.00 0.00 C ATOM 0 H TRP A 681 3.401 9.864 1.714 1.00 0.00 H new ATOM 0 HA TRP A 681 3.332 7.364 2.979 1.00 0.00 H new ATOM 0 HB2 TRP A 681 4.062 7.520 0.714 1.00 0.00 H new ATOM 0 HB3 TRP A 681 5.256 8.746 1.091 1.00 0.00 H new ATOM 0 HD1 TRP A 681 7.674 7.843 1.233 1.00 0.00 H new ATOM 0 HE1 TRP A 681 8.811 5.561 1.667 1.00 0.00 H new ATOM 0 HE3 TRP A 681 3.480 5.094 2.213 1.00 0.00 H new ATOM 0 HZ2 TRP A 681 7.983 2.957 2.340 1.00 0.00 H new ATOM 0 HZ3 TRP A 681 3.732 2.703 2.743 1.00 0.00 H new ATOM 0 HH2 TRP A 681 5.956 1.651 2.810 1.00 0.00 H new ATOM 583 N GLU A 682 5.562 9.453 4.143 1.00 0.00 N ATOM 584 CA GLU A 682 6.521 9.673 5.220 1.00 0.00 C ATOM 585 C GLU A 682 5.897 9.362 6.577 1.00 0.00 C ATOM 586 O GLU A 682 6.386 8.508 7.317 1.00 0.00 O ATOM 587 CB GLU A 682 7.025 11.118 5.197 1.00 0.00 C ATOM 588 CG GLU A 682 8.230 11.329 4.296 1.00 0.00 C ATOM 589 CD GLU A 682 8.805 12.727 4.409 1.00 0.00 C ATOM 590 OE1 GLU A 682 8.032 13.699 4.281 1.00 0.00 O ATOM 591 OE2 GLU A 682 10.029 12.849 4.627 1.00 0.00 O ATOM 0 H GLU A 682 5.348 10.284 3.592 1.00 0.00 H new ATOM 0 HA GLU A 682 7.364 8.999 5.064 1.00 0.00 H new ATOM 0 HB2 GLU A 682 6.217 11.770 4.867 1.00 0.00 H new ATOM 0 HB3 GLU A 682 7.284 11.420 6.212 1.00 0.00 H new ATOM 0 HG2 GLU A 682 9.001 10.602 4.550 1.00 0.00 H new ATOM 0 HG3 GLU A 682 7.943 11.141 3.261 1.00 0.00 H new ATOM 598 N LYS A 683 4.813 10.060 6.897 1.00 0.00 N ATOM 599 CA LYS A 683 4.119 9.860 8.164 1.00 0.00 C ATOM 600 C LYS A 683 3.686 8.406 8.322 1.00 0.00 C ATOM 601 O LYS A 683 4.079 7.732 9.274 1.00 0.00 O ATOM 602 CB LYS A 683 2.900 10.780 8.252 1.00 0.00 C ATOM 603 CG LYS A 683 3.245 12.216 8.603 1.00 0.00 C ATOM 604 CD LYS A 683 2.036 13.128 8.478 1.00 0.00 C ATOM 605 CE LYS A 683 2.448 14.585 8.344 1.00 0.00 C ATOM 606 NZ LYS A 683 1.295 15.508 8.540 1.00 0.00 N ATOM 0 H LYS A 683 4.395 10.770 6.296 1.00 0.00 H new ATOM 0 HA LYS A 683 4.809 10.105 8.971 1.00 0.00 H new ATOM 0 HB2 LYS A 683 2.374 10.765 7.297 1.00 0.00 H new ATOM 0 HB3 LYS A 683 2.212 10.387 9.001 1.00 0.00 H new ATOM 0 HG2 LYS A 683 3.631 12.260 9.622 1.00 0.00 H new ATOM 0 HG3 LYS A 683 4.039 12.571 7.946 1.00 0.00 H new ATOM 0 HD2 LYS A 683 1.446 12.834 7.610 1.00 0.00 H new ATOM 0 HD3 LYS A 683 1.397 13.009 9.353 1.00 0.00 H new ATOM 0 HE2 LYS A 683 3.223 14.812 9.076 1.00 0.00 H new ATOM 0 HE3 LYS A 683 2.882 14.750 7.358 1.00 0.00 H new ATOM 0 HZ1 LYS A 683 1.617 16.492 8.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 683 0.566 15.309 7.826 1.00 0.00 H new ATOM 0 HZ3 LYS A 683 0.896 15.368 9.490 1.00 0.00 H new ATOM 620 N GLU A 684 2.874 7.929 7.383 1.00 0.00 N ATOM 621 CA GLU A 684 2.388 6.555 7.420 1.00 0.00 C ATOM 622 C GLU A 684 3.551 5.569 7.487 1.00 0.00 C ATOM 623 O GLU A 684 3.477 4.551 8.178 1.00 0.00 O ATOM 624 CB GLU A 684 1.527 6.262 6.190 1.00 0.00 C ATOM 625 CG GLU A 684 0.406 7.266 5.978 1.00 0.00 C ATOM 626 CD GLU A 684 -0.027 7.360 4.528 1.00 0.00 C ATOM 627 OE1 GLU A 684 0.856 7.457 3.650 1.00 0.00 O ATOM 628 OE2 GLU A 684 -1.249 7.335 4.272 1.00 0.00 O ATOM 0 H GLU A 684 2.539 8.474 6.588 1.00 0.00 H new ATOM 0 HA GLU A 684 1.780 6.435 8.317 1.00 0.00 H new ATOM 0 HB2 GLU A 684 2.164 6.249 5.306 1.00 0.00 H new ATOM 0 HB3 GLU A 684 1.097 5.265 6.287 1.00 0.00 H new ATOM 0 HG2 GLU A 684 -0.450 6.984 6.591 1.00 0.00 H new ATOM 0 HG3 GLU A 684 0.733 8.248 6.320 1.00 0.00 H new ATOM 635 N LEU A 685 4.623 5.877 6.765 1.00 0.00 N ATOM 636 CA LEU A 685 5.802 5.018 6.742 1.00 0.00 C ATOM 637 C LEU A 685 6.296 4.733 8.156 1.00 0.00 C ATOM 638 O LEU A 685 6.476 3.577 8.541 1.00 0.00 O ATOM 639 CB LEU A 685 6.916 5.671 5.922 1.00 0.00 C ATOM 640 CG LEU A 685 8.333 5.162 6.190 1.00 0.00 C ATOM 641 CD1 LEU A 685 8.597 3.883 5.410 1.00 0.00 C ATOM 642 CD2 LEU A 685 9.359 6.228 5.832 1.00 0.00 C ATOM 0 H LEU A 685 4.700 6.715 6.188 1.00 0.00 H new ATOM 0 HA LEU A 685 5.523 4.072 6.277 1.00 0.00 H new ATOM 0 HB2 LEU A 685 6.694 5.527 4.865 1.00 0.00 H new ATOM 0 HB3 LEU A 685 6.896 6.745 6.109 1.00 0.00 H new ATOM 0 HG LEU A 685 8.424 4.940 7.253 1.00 0.00 H new ATOM 0 HD11 LEU A 685 9.610 3.536 5.613 1.00 0.00 H new ATOM 0 HD12 LEU A 685 7.883 3.118 5.714 1.00 0.00 H new ATOM 0 HD13 LEU A 685 8.487 4.078 4.343 1.00 0.00 H new ATOM 0 HD21 LEU A 685 10.362 5.849 6.029 1.00 0.00 H new ATOM 0 HD22 LEU A 685 9.268 6.481 4.776 1.00 0.00 H new ATOM 0 HD23 LEU A 685 9.183 7.119 6.435 1.00 0.00 H new ATOM 654 N HIS A 686 6.513 5.794 8.927 1.00 0.00 N ATOM 655 CA HIS A 686 6.984 5.657 10.301 1.00 0.00 C ATOM 656 C HIS A 686 5.935 4.967 11.169 1.00 0.00 C ATOM 657 O HIS A 686 6.267 4.292 12.143 1.00 0.00 O ATOM 658 CB HIS A 686 7.323 7.029 10.885 1.00 0.00 C ATOM 659 CG HIS A 686 6.120 7.816 11.305 1.00 0.00 C ATOM 660 ND1 HIS A 686 5.778 9.027 10.741 1.00 0.00 N ATOM 661 CD2 HIS A 686 5.175 7.557 12.239 1.00 0.00 C ATOM 662 CE1 HIS A 686 4.675 9.479 11.312 1.00 0.00 C ATOM 663 NE2 HIS A 686 4.289 8.606 12.224 1.00 0.00 N ATOM 0 H HIS A 686 6.370 6.757 8.624 1.00 0.00 H new ATOM 0 HA HIS A 686 7.884 5.042 10.291 1.00 0.00 H new ATOM 0 HB2 HIS A 686 7.979 6.896 11.746 1.00 0.00 H new ATOM 0 HB3 HIS A 686 7.881 7.602 10.145 1.00 0.00 H new ATOM 0 HD2 HIS A 686 5.127 6.687 12.877 1.00 0.00 H new ATOM 0 HE1 HIS A 686 4.174 10.406 11.073 1.00 0.00 H new ATOM 0 HE2 HIS A 686 3.466 8.696 12.820 1.00 0.00 H new ATOM 671 N LYS A 687 4.668 5.143 10.809 1.00 0.00 N ATOM 672 CA LYS A 687 3.571 4.537 11.553 1.00 0.00 C ATOM 673 C LYS A 687 3.570 3.021 11.385 1.00 0.00 C ATOM 674 O LYS A 687 3.203 2.286 12.302 1.00 0.00 O ATOM 675 CB LYS A 687 2.232 5.113 11.086 1.00 0.00 C ATOM 676 CG LYS A 687 1.973 6.526 11.579 1.00 0.00 C ATOM 677 CD LYS A 687 0.594 7.016 11.167 1.00 0.00 C ATOM 678 CE LYS A 687 0.511 8.534 11.197 1.00 0.00 C ATOM 679 NZ LYS A 687 -0.578 9.047 10.319 1.00 0.00 N ATOM 0 H LYS A 687 4.376 5.701 10.006 1.00 0.00 H new ATOM 0 HA LYS A 687 3.711 4.767 12.609 1.00 0.00 H new ATOM 0 HB2 LYS A 687 2.203 5.106 9.996 1.00 0.00 H new ATOM 0 HB3 LYS A 687 1.427 4.464 11.430 1.00 0.00 H new ATOM 0 HG2 LYS A 687 2.061 6.555 12.665 1.00 0.00 H new ATOM 0 HG3 LYS A 687 2.733 7.197 11.179 1.00 0.00 H new ATOM 0 HD2 LYS A 687 0.364 6.658 10.164 1.00 0.00 H new ATOM 0 HD3 LYS A 687 -0.157 6.596 11.836 1.00 0.00 H new ATOM 0 HE2 LYS A 687 0.340 8.868 12.220 1.00 0.00 H new ATOM 0 HE3 LYS A 687 1.464 8.956 10.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 687 -0.602 10.086 10.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 687 -0.402 8.750 9.338 1.00 0.00 H new ATOM 0 HZ3 LYS A 687 -1.491 8.664 10.638 1.00 0.00 H new ATOM 693 N ILE A 688 3.985 2.560 10.210 1.00 0.00 N ATOM 694 CA ILE A 688 4.035 1.132 9.924 1.00 0.00 C ATOM 695 C ILE A 688 5.475 0.645 9.806 1.00 0.00 C ATOM 696 O ILE A 688 5.725 -0.505 9.444 1.00 0.00 O ATOM 697 CB ILE A 688 3.281 0.791 8.626 1.00 0.00 C ATOM 698 CG1 ILE A 688 3.892 1.546 7.443 1.00 0.00 C ATOM 699 CG2 ILE A 688 1.804 1.125 8.768 1.00 0.00 C ATOM 700 CD1 ILE A 688 3.734 0.826 6.121 1.00 0.00 C ATOM 0 H ILE A 688 4.292 3.155 9.440 1.00 0.00 H new ATOM 0 HA ILE A 688 3.550 0.626 10.759 1.00 0.00 H new ATOM 0 HB ILE A 688 3.375 -0.279 8.439 1.00 0.00 H new ATOM 0 HG12 ILE A 688 3.427 2.529 7.370 1.00 0.00 H new ATOM 0 HG13 ILE A 688 4.953 1.709 7.635 1.00 0.00 H new ATOM 0 HG21 ILE A 688 1.285 0.878 7.842 1.00 0.00 H new ATOM 0 HG22 ILE A 688 1.378 0.548 9.588 1.00 0.00 H new ATOM 0 HG23 ILE A 688 1.690 2.189 8.976 1.00 0.00 H new ATOM 0 HD11 ILE A 688 4.190 1.418 5.327 1.00 0.00 H new ATOM 0 HD12 ILE A 688 4.224 -0.146 6.175 1.00 0.00 H new ATOM 0 HD13 ILE A 688 2.674 0.687 5.907 1.00 0.00 H new ATOM 712 N VAL A 689 6.420 1.527 10.115 1.00 0.00 N ATOM 713 CA VAL A 689 7.836 1.187 10.047 1.00 0.00 C ATOM 714 C VAL A 689 8.198 0.130 11.084 1.00 0.00 C ATOM 715 O VAL A 689 9.166 -0.613 10.918 1.00 0.00 O ATOM 716 CB VAL A 689 8.723 2.428 10.262 1.00 0.00 C ATOM 717 CG1 VAL A 689 8.641 2.898 11.707 1.00 0.00 C ATOM 718 CG2 VAL A 689 10.162 2.128 9.871 1.00 0.00 C ATOM 0 H VAL A 689 6.230 2.483 10.415 1.00 0.00 H new ATOM 0 HA VAL A 689 8.018 0.789 9.049 1.00 0.00 H new ATOM 0 HB VAL A 689 8.357 3.231 9.622 1.00 0.00 H new ATOM 0 HG11 VAL A 689 9.274 3.775 11.841 1.00 0.00 H new ATOM 0 HG12 VAL A 689 7.609 3.154 11.948 1.00 0.00 H new ATOM 0 HG13 VAL A 689 8.981 2.101 12.369 1.00 0.00 H new ATOM 0 HG21 VAL A 689 10.775 3.016 10.029 1.00 0.00 H new ATOM 0 HG22 VAL A 689 10.543 1.311 10.483 1.00 0.00 H new ATOM 0 HG23 VAL A 689 10.201 1.843 8.820 1.00 0.00 H new ATOM 728 N PHE A 690 7.415 0.068 12.156 1.00 0.00 N ATOM 729 CA PHE A 690 7.653 -0.898 13.222 1.00 0.00 C ATOM 730 C PHE A 690 6.995 -2.236 12.900 1.00 0.00 C ATOM 731 O PHE A 690 7.614 -3.292 13.033 1.00 0.00 O ATOM 732 CB PHE A 690 7.121 -0.362 14.553 1.00 0.00 C ATOM 733 CG PHE A 690 5.637 -0.525 14.714 1.00 0.00 C ATOM 734 CD1 PHE A 690 5.101 -1.726 15.150 1.00 0.00 C ATOM 735 CD2 PHE A 690 4.777 0.524 14.430 1.00 0.00 C ATOM 736 CE1 PHE A 690 3.736 -1.879 15.299 1.00 0.00 C ATOM 737 CE2 PHE A 690 3.410 0.377 14.578 1.00 0.00 C ATOM 738 CZ PHE A 690 2.889 -0.826 15.012 1.00 0.00 C ATOM 0 H PHE A 690 6.610 0.675 12.309 1.00 0.00 H new ATOM 0 HA PHE A 690 8.729 -1.053 13.305 1.00 0.00 H new ATOM 0 HB2 PHE A 690 7.626 -0.876 15.371 1.00 0.00 H new ATOM 0 HB3 PHE A 690 7.374 0.695 14.637 1.00 0.00 H new ATOM 0 HD1 PHE A 690 5.758 -2.553 15.376 1.00 0.00 H new ATOM 0 HD2 PHE A 690 5.179 1.467 14.089 1.00 0.00 H new ATOM 0 HE1 PHE A 690 3.332 -2.821 15.639 1.00 0.00 H new ATOM 0 HE2 PHE A 690 2.750 1.202 14.354 1.00 0.00 H new ATOM 0 HZ PHE A 690 1.822 -0.943 15.127 1.00 0.00 H new ATOM 748 N ASP A 691 5.737 -2.183 12.478 1.00 0.00 N ATOM 749 CA ASP A 691 4.993 -3.391 12.136 1.00 0.00 C ATOM 750 C ASP A 691 5.914 -4.439 11.520 1.00 0.00 C ATOM 751 O ASP A 691 6.825 -4.127 10.753 1.00 0.00 O ATOM 752 CB ASP A 691 3.857 -3.059 11.168 1.00 0.00 C ATOM 753 CG ASP A 691 3.101 -4.294 10.718 1.00 0.00 C ATOM 754 OD1 ASP A 691 3.583 -4.980 9.793 1.00 0.00 O ATOM 755 OD2 ASP A 691 2.026 -4.573 11.291 1.00 0.00 O ATOM 0 H ASP A 691 5.210 -1.317 12.364 1.00 0.00 H new ATOM 0 HA ASP A 691 4.569 -3.800 13.053 1.00 0.00 H new ATOM 0 HB2 ASP A 691 3.165 -2.367 11.648 1.00 0.00 H new ATOM 0 HB3 ASP A 691 4.264 -2.548 10.296 1.00 0.00 H new ATOM 760 N PRO A 692 5.673 -5.714 11.862 1.00 0.00 N ATOM 761 CA PRO A 692 6.469 -6.834 11.354 1.00 0.00 C ATOM 762 C PRO A 692 6.234 -7.086 9.868 1.00 0.00 C ATOM 763 O PRO A 692 7.168 -7.388 9.125 1.00 0.00 O ATOM 764 CB PRO A 692 5.978 -8.024 12.182 1.00 0.00 C ATOM 765 CG PRO A 692 4.596 -7.652 12.595 1.00 0.00 C ATOM 766 CD PRO A 692 4.603 -6.159 12.771 1.00 0.00 C ATOM 0 HA PRO A 692 7.539 -6.647 11.445 1.00 0.00 H new ATOM 0 HB2 PRO A 692 5.982 -8.943 11.596 1.00 0.00 H new ATOM 0 HB3 PRO A 692 6.618 -8.195 13.048 1.00 0.00 H new ATOM 0 HG2 PRO A 692 3.869 -7.952 11.840 1.00 0.00 H new ATOM 0 HG3 PRO A 692 4.318 -8.153 13.522 1.00 0.00 H new ATOM 0 HD2 PRO A 692 3.642 -5.719 12.506 1.00 0.00 H new ATOM 0 HD3 PRO A 692 4.809 -5.877 13.803 1.00 0.00 H new ATOM 774 N ARG A 693 4.982 -6.959 9.443 1.00 0.00 N ATOM 775 CA ARG A 693 4.624 -7.174 8.045 1.00 0.00 C ATOM 776 C ARG A 693 5.233 -6.094 7.156 1.00 0.00 C ATOM 777 O ARG A 693 5.394 -6.286 5.951 1.00 0.00 O ATOM 778 CB ARG A 693 3.103 -7.187 7.882 1.00 0.00 C ATOM 779 CG ARG A 693 2.404 -8.208 8.765 1.00 0.00 C ATOM 780 CD ARG A 693 0.923 -7.895 8.914 1.00 0.00 C ATOM 781 NE ARG A 693 0.661 -7.015 10.050 1.00 0.00 N ATOM 782 CZ ARG A 693 0.841 -7.376 11.315 1.00 0.00 C ATOM 783 NH1 ARG A 693 1.282 -8.592 11.606 1.00 0.00 N ATOM 784 NH2 ARG A 693 0.581 -6.518 12.294 1.00 0.00 N ATOM 0 H ARG A 693 4.198 -6.708 10.046 1.00 0.00 H new ATOM 0 HA ARG A 693 5.023 -8.141 7.738 1.00 0.00 H new ATOM 0 HB2 ARG A 693 2.713 -6.195 8.110 1.00 0.00 H new ATOM 0 HB3 ARG A 693 2.860 -7.393 6.840 1.00 0.00 H new ATOM 0 HG2 ARG A 693 2.525 -9.204 8.338 1.00 0.00 H new ATOM 0 HG3 ARG A 693 2.874 -8.223 9.748 1.00 0.00 H new ATOM 0 HD2 ARG A 693 0.558 -7.426 8.000 1.00 0.00 H new ATOM 0 HD3 ARG A 693 0.367 -8.824 9.039 1.00 0.00 H new ATOM 0 HE ARG A 693 0.321 -6.072 9.861 1.00 0.00 H new ATOM 0 HH11 ARG A 693 1.484 -9.254 10.857 1.00 0.00 H new ATOM 0 HH12 ARG A 693 1.419 -8.866 12.579 1.00 0.00 H new ATOM 0 HH21 ARG A 693 0.243 -5.581 12.075 1.00 0.00 H new ATOM 0 HH22 ARG A 693 0.719 -6.796 13.266 1.00 0.00 H new ATOM 798 N TYR A 694 5.568 -4.959 7.759 1.00 0.00 N ATOM 799 CA TYR A 694 6.156 -3.847 7.022 1.00 0.00 C ATOM 800 C TYR A 694 7.516 -4.232 6.447 1.00 0.00 C ATOM 801 O TYR A 694 8.020 -3.588 5.526 1.00 0.00 O ATOM 802 CB TYR A 694 6.302 -2.625 7.930 1.00 0.00 C ATOM 803 CG TYR A 694 7.312 -1.616 7.432 1.00 0.00 C ATOM 804 CD1 TYR A 694 6.983 -0.711 6.430 1.00 0.00 C ATOM 805 CD2 TYR A 694 8.595 -1.568 7.963 1.00 0.00 C ATOM 806 CE1 TYR A 694 7.903 0.211 5.971 1.00 0.00 C ATOM 807 CE2 TYR A 694 9.521 -0.648 7.511 1.00 0.00 C ATOM 808 CZ TYR A 694 9.170 0.240 6.515 1.00 0.00 C ATOM 809 OH TYR A 694 10.089 1.158 6.061 1.00 0.00 O ATOM 0 H TYR A 694 5.442 -4.785 8.756 1.00 0.00 H new ATOM 0 HA TYR A 694 5.489 -3.600 6.196 1.00 0.00 H new ATOM 0 HB2 TYR A 694 5.332 -2.137 8.027 1.00 0.00 H new ATOM 0 HB3 TYR A 694 6.594 -2.956 8.927 1.00 0.00 H new ATOM 0 HD1 TYR A 694 5.991 -0.729 6.003 1.00 0.00 H new ATOM 0 HD2 TYR A 694 8.873 -2.262 8.743 1.00 0.00 H new ATOM 0 HE1 TYR A 694 7.632 0.906 5.190 1.00 0.00 H new ATOM 0 HE2 TYR A 694 10.514 -0.624 7.935 1.00 0.00 H new ATOM 0 HH TYR A 694 10.932 1.046 6.549 1.00 0.00 H new ATOM 819 N LEU A 695 8.105 -5.289 6.997 1.00 0.00 N ATOM 820 CA LEU A 695 9.406 -5.763 6.540 1.00 0.00 C ATOM 821 C LEU A 695 9.275 -7.095 5.809 1.00 0.00 C ATOM 822 O LEU A 695 10.233 -7.865 5.721 1.00 0.00 O ATOM 823 CB LEU A 695 10.362 -5.911 7.725 1.00 0.00 C ATOM 824 CG LEU A 695 10.471 -4.701 8.655 1.00 0.00 C ATOM 825 CD1 LEU A 695 11.155 -5.089 9.957 1.00 0.00 C ATOM 826 CD2 LEU A 695 11.224 -3.569 7.971 1.00 0.00 C ATOM 0 H LEU A 695 7.702 -5.833 7.760 1.00 0.00 H new ATOM 0 HA LEU A 695 9.809 -5.026 5.845 1.00 0.00 H new ATOM 0 HB2 LEU A 695 10.046 -6.771 8.316 1.00 0.00 H new ATOM 0 HB3 LEU A 695 11.356 -6.138 7.338 1.00 0.00 H new ATOM 0 HG LEU A 695 9.465 -4.353 8.887 1.00 0.00 H new ATOM 0 HD11 LEU A 695 11.224 -4.216 10.606 1.00 0.00 H new ATOM 0 HD12 LEU A 695 10.576 -5.867 10.455 1.00 0.00 H new ATOM 0 HD13 LEU A 695 12.157 -5.463 9.744 1.00 0.00 H new ATOM 0 HD21 LEU A 695 11.292 -2.717 8.647 1.00 0.00 H new ATOM 0 HD22 LEU A 695 12.227 -3.905 7.709 1.00 0.00 H new ATOM 0 HD23 LEU A 695 10.693 -3.273 7.066 1.00 0.00 H new ATOM 838 N LEU A 696 8.084 -7.360 5.283 1.00 0.00 N ATOM 839 CA LEU A 696 7.827 -8.599 4.557 1.00 0.00 C ATOM 840 C LEU A 696 7.763 -8.346 3.054 1.00 0.00 C ATOM 841 O LEU A 696 8.025 -9.242 2.251 1.00 0.00 O ATOM 842 CB LEU A 696 6.519 -9.231 5.035 1.00 0.00 C ATOM 843 CG LEU A 696 6.524 -9.789 6.458 1.00 0.00 C ATOM 844 CD1 LEU A 696 5.154 -10.343 6.819 1.00 0.00 C ATOM 845 CD2 LEU A 696 7.591 -10.864 6.607 1.00 0.00 C ATOM 0 H LEU A 696 7.281 -6.734 5.346 1.00 0.00 H new ATOM 0 HA LEU A 696 8.650 -9.286 4.757 1.00 0.00 H new ATOM 0 HB2 LEU A 696 5.730 -8.483 4.962 1.00 0.00 H new ATOM 0 HB3 LEU A 696 6.257 -10.038 4.351 1.00 0.00 H new ATOM 0 HG LEU A 696 6.758 -8.976 7.145 1.00 0.00 H new ATOM 0 HD11 LEU A 696 5.177 -10.736 7.835 1.00 0.00 H new ATOM 0 HD12 LEU A 696 4.411 -9.548 6.754 1.00 0.00 H new ATOM 0 HD13 LEU A 696 4.891 -11.143 6.127 1.00 0.00 H new ATOM 0 HD21 LEU A 696 7.579 -11.249 7.627 1.00 0.00 H new ATOM 0 HD22 LEU A 696 7.388 -11.677 5.910 1.00 0.00 H new ATOM 0 HD23 LEU A 696 8.570 -10.437 6.392 1.00 0.00 H new ATOM 857 N LEU A 697 7.417 -7.119 2.680 1.00 0.00 N ATOM 858 CA LEU A 697 7.321 -6.746 1.273 1.00 0.00 C ATOM 859 C LEU A 697 8.437 -5.779 0.889 1.00 0.00 C ATOM 860 O LEU A 697 8.840 -4.933 1.686 1.00 0.00 O ATOM 861 CB LEU A 697 5.960 -6.112 0.985 1.00 0.00 C ATOM 862 CG LEU A 697 4.793 -7.082 0.796 1.00 0.00 C ATOM 863 CD1 LEU A 697 3.466 -6.344 0.873 1.00 0.00 C ATOM 864 CD2 LEU A 697 4.921 -7.818 -0.530 1.00 0.00 C ATOM 0 H LEU A 697 7.198 -6.365 3.332 1.00 0.00 H new ATOM 0 HA LEU A 697 7.427 -7.651 0.674 1.00 0.00 H new ATOM 0 HB2 LEU A 697 5.716 -5.437 1.805 1.00 0.00 H new ATOM 0 HB3 LEU A 697 6.049 -5.502 0.086 1.00 0.00 H new ATOM 0 HG LEU A 697 4.823 -7.817 1.601 1.00 0.00 H new ATOM 0 HD11 LEU A 697 2.648 -7.051 0.736 1.00 0.00 H new ATOM 0 HD12 LEU A 697 3.372 -5.865 1.847 1.00 0.00 H new ATOM 0 HD13 LEU A 697 3.425 -5.586 0.091 1.00 0.00 H new ATOM 0 HD21 LEU A 697 4.082 -8.504 -0.648 1.00 0.00 H new ATOM 0 HD22 LEU A 697 4.918 -7.097 -1.348 1.00 0.00 H new ATOM 0 HD23 LEU A 697 5.855 -8.380 -0.545 1.00 0.00 H new ATOM 876 N ASN A 698 8.931 -5.911 -0.338 1.00 0.00 N ATOM 877 CA ASN A 698 9.999 -5.048 -0.829 1.00 0.00 C ATOM 878 C ASN A 698 9.659 -3.578 -0.601 1.00 0.00 C ATOM 879 O ASN A 698 8.508 -3.212 -0.360 1.00 0.00 O ATOM 880 CB ASN A 698 10.245 -5.302 -2.317 1.00 0.00 C ATOM 881 CG ASN A 698 11.323 -6.341 -2.556 1.00 0.00 C ATOM 882 OD1 ASN A 698 11.639 -7.138 -1.673 1.00 0.00 O ATOM 883 ND2 ASN A 698 11.895 -6.335 -3.755 1.00 0.00 N ATOM 0 H ASN A 698 8.609 -6.607 -1.010 1.00 0.00 H new ATOM 0 HA ASN A 698 10.907 -5.283 -0.273 1.00 0.00 H new ATOM 0 HB2 ASN A 698 9.317 -5.631 -2.785 1.00 0.00 H new ATOM 0 HB3 ASN A 698 10.531 -4.368 -2.800 1.00 0.00 H new ATOM 0 HD21 ASN A 698 12.628 -7.010 -3.974 1.00 0.00 H new ATOM 0 HD22 ASN A 698 11.601 -5.656 -4.457 1.00 0.00 H new ATOM 890 N PRO A 699 10.682 -2.715 -0.680 1.00 0.00 N ATOM 891 CA PRO A 699 10.517 -1.271 -0.487 1.00 0.00 C ATOM 892 C PRO A 699 9.749 -0.618 -1.632 1.00 0.00 C ATOM 893 O PRO A 699 9.031 0.362 -1.432 1.00 0.00 O ATOM 894 CB PRO A 699 11.956 -0.752 -0.443 1.00 0.00 C ATOM 895 CG PRO A 699 12.744 -1.755 -1.211 1.00 0.00 C ATOM 896 CD PRO A 699 12.080 -3.081 -0.964 1.00 0.00 C ATOM 0 HA PRO A 699 9.940 -1.042 0.409 1.00 0.00 H new ATOM 0 HB2 PRO A 699 12.033 0.239 -0.890 1.00 0.00 H new ATOM 0 HB3 PRO A 699 12.315 -0.668 0.583 1.00 0.00 H new ATOM 0 HG2 PRO A 699 12.751 -1.514 -2.274 1.00 0.00 H new ATOM 0 HG3 PRO A 699 13.783 -1.771 -0.881 1.00 0.00 H new ATOM 0 HD2 PRO A 699 12.155 -3.736 -1.832 1.00 0.00 H new ATOM 0 HD3 PRO A 699 12.535 -3.609 -0.126 1.00 0.00 H new ATOM 904 N LYS A 700 9.906 -1.166 -2.832 1.00 0.00 N ATOM 905 CA LYS A 700 9.227 -0.638 -4.009 1.00 0.00 C ATOM 906 C LYS A 700 7.736 -0.957 -3.966 1.00 0.00 C ATOM 907 O LYS A 700 6.900 -0.096 -4.240 1.00 0.00 O ATOM 908 CB LYS A 700 9.847 -1.217 -5.283 1.00 0.00 C ATOM 909 CG LYS A 700 11.068 -0.454 -5.767 1.00 0.00 C ATOM 910 CD LYS A 700 12.347 -1.011 -5.166 1.00 0.00 C ATOM 911 CE LYS A 700 13.429 0.055 -5.071 1.00 0.00 C ATOM 912 NZ LYS A 700 12.981 1.229 -4.272 1.00 0.00 N ATOM 0 H LYS A 700 10.498 -1.976 -3.015 1.00 0.00 H new ATOM 0 HA LYS A 700 9.349 0.445 -4.013 1.00 0.00 H new ATOM 0 HB2 LYS A 700 10.126 -2.255 -5.102 1.00 0.00 H new ATOM 0 HB3 LYS A 700 9.096 -1.222 -6.073 1.00 0.00 H new ATOM 0 HG2 LYS A 700 11.123 -0.506 -6.854 1.00 0.00 H new ATOM 0 HG3 LYS A 700 10.969 0.599 -5.503 1.00 0.00 H new ATOM 0 HD2 LYS A 700 12.140 -1.410 -4.173 1.00 0.00 H new ATOM 0 HD3 LYS A 700 12.705 -1.841 -5.775 1.00 0.00 H new ATOM 0 HE2 LYS A 700 14.323 -0.374 -4.617 1.00 0.00 H new ATOM 0 HE3 LYS A 700 13.706 0.382 -6.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 700 13.799 1.654 -3.790 1.00 0.00 H new ATOM 0 HZ2 LYS A 700 12.547 1.933 -4.903 1.00 0.00 H new ATOM 0 HZ3 LYS A 700 12.284 0.922 -3.564 1.00 0.00 H new ATOM 926 N GLU A 701 7.411 -2.198 -3.620 1.00 0.00 N ATOM 927 CA GLU A 701 6.020 -2.629 -3.540 1.00 0.00 C ATOM 928 C GLU A 701 5.245 -1.783 -2.535 1.00 0.00 C ATOM 929 O GLU A 701 4.209 -1.204 -2.863 1.00 0.00 O ATOM 930 CB GLU A 701 5.942 -4.106 -3.148 1.00 0.00 C ATOM 931 CG GLU A 701 6.360 -5.054 -4.259 1.00 0.00 C ATOM 932 CD GLU A 701 5.247 -5.312 -5.256 1.00 0.00 C ATOM 933 OE1 GLU A 701 4.859 -4.365 -5.971 1.00 0.00 O ATOM 934 OE2 GLU A 701 4.765 -6.462 -5.321 1.00 0.00 O ATOM 0 H GLU A 701 8.091 -2.923 -3.391 1.00 0.00 H new ATOM 0 HA GLU A 701 5.569 -2.497 -4.523 1.00 0.00 H new ATOM 0 HB2 GLU A 701 6.577 -4.276 -2.279 1.00 0.00 H new ATOM 0 HB3 GLU A 701 4.921 -4.340 -2.848 1.00 0.00 H new ATOM 0 HG2 GLU A 701 7.221 -4.638 -4.782 1.00 0.00 H new ATOM 0 HG3 GLU A 701 6.679 -6.001 -3.823 1.00 0.00 H new ATOM 941 N ARG A 702 5.754 -1.717 -1.309 1.00 0.00 N ATOM 942 CA ARG A 702 5.109 -0.943 -0.254 1.00 0.00 C ATOM 943 C ARG A 702 4.446 0.307 -0.825 1.00 0.00 C ATOM 944 O ARG A 702 3.275 0.579 -0.559 1.00 0.00 O ATOM 945 CB ARG A 702 6.130 -0.549 0.815 1.00 0.00 C ATOM 946 CG ARG A 702 6.436 -1.662 1.804 1.00 0.00 C ATOM 947 CD ARG A 702 7.817 -1.497 2.418 1.00 0.00 C ATOM 948 NE ARG A 702 8.004 -0.168 2.995 1.00 0.00 N ATOM 949 CZ ARG A 702 9.193 0.403 3.156 1.00 0.00 C ATOM 950 NH1 ARG A 702 10.294 -0.235 2.784 1.00 0.00 N ATOM 951 NH2 ARG A 702 9.282 1.615 3.689 1.00 0.00 N ATOM 0 H ARG A 702 6.611 -2.190 -1.021 1.00 0.00 H new ATOM 0 HA ARG A 702 4.339 -1.566 0.201 1.00 0.00 H new ATOM 0 HB2 ARG A 702 7.055 -0.244 0.327 1.00 0.00 H new ATOM 0 HB3 ARG A 702 5.756 0.318 1.360 1.00 0.00 H new ATOM 0 HG2 ARG A 702 5.684 -1.666 2.593 1.00 0.00 H new ATOM 0 HG3 ARG A 702 6.374 -2.626 1.299 1.00 0.00 H new ATOM 0 HD2 ARG A 702 7.963 -2.252 3.191 1.00 0.00 H new ATOM 0 HD3 ARG A 702 8.576 -1.671 1.655 1.00 0.00 H new ATOM 0 HE ARG A 702 7.177 0.350 3.290 1.00 0.00 H new ATOM 0 HH11 ARG A 702 10.230 -1.166 2.373 1.00 0.00 H new ATOM 0 HH12 ARG A 702 11.205 0.206 2.909 1.00 0.00 H new ATOM 0 HH21 ARG A 702 8.437 2.109 3.976 1.00 0.00 H new ATOM 0 HH22 ARG A 702 10.195 2.052 3.812 1.00 0.00 H new ATOM 965 N LYS A 703 5.203 1.065 -1.611 1.00 0.00 N ATOM 966 CA LYS A 703 4.690 2.287 -2.221 1.00 0.00 C ATOM 967 C LYS A 703 3.627 1.968 -3.267 1.00 0.00 C ATOM 968 O LYS A 703 2.570 2.597 -3.301 1.00 0.00 O ATOM 969 CB LYS A 703 5.832 3.078 -2.864 1.00 0.00 C ATOM 970 CG LYS A 703 5.505 4.545 -3.085 1.00 0.00 C ATOM 971 CD LYS A 703 5.757 5.368 -1.833 1.00 0.00 C ATOM 972 CE LYS A 703 5.773 6.858 -2.139 1.00 0.00 C ATOM 973 NZ LYS A 703 4.438 7.348 -2.581 1.00 0.00 N ATOM 0 H LYS A 703 6.174 0.855 -1.841 1.00 0.00 H new ATOM 0 HA LYS A 703 4.233 2.891 -1.437 1.00 0.00 H new ATOM 0 HB2 LYS A 703 6.717 3.003 -2.232 1.00 0.00 H new ATOM 0 HB3 LYS A 703 6.085 2.622 -3.821 1.00 0.00 H new ATOM 0 HG2 LYS A 703 6.109 4.934 -3.905 1.00 0.00 H new ATOM 0 HG3 LYS A 703 4.461 4.645 -3.383 1.00 0.00 H new ATOM 0 HD2 LYS A 703 4.984 5.155 -1.095 1.00 0.00 H new ATOM 0 HD3 LYS A 703 6.709 5.076 -1.390 1.00 0.00 H new ATOM 0 HE2 LYS A 703 6.086 7.408 -1.251 1.00 0.00 H new ATOM 0 HE3 LYS A 703 6.510 7.061 -2.916 1.00 0.00 H new ATOM 0 HZ1 LYS A 703 4.491 8.367 -2.780 1.00 0.00 H new ATOM 0 HZ2 LYS A 703 4.150 6.842 -3.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 703 3.739 7.177 -1.830 1.00 0.00 H new ATOM 987 N GLN A 704 3.914 0.986 -4.115 1.00 0.00 N ATOM 988 CA GLN A 704 2.980 0.584 -5.161 1.00 0.00 C ATOM 989 C GLN A 704 1.644 0.157 -4.563 1.00 0.00 C ATOM 990 O GLN A 704 0.604 0.745 -4.858 1.00 0.00 O ATOM 991 CB GLN A 704 3.571 -0.559 -5.989 1.00 0.00 C ATOM 992 CG GLN A 704 4.380 -0.087 -7.187 1.00 0.00 C ATOM 993 CD GLN A 704 3.527 0.114 -8.424 1.00 0.00 C ATOM 994 OE1 GLN A 704 2.556 -0.608 -8.647 1.00 0.00 O ATOM 995 NE2 GLN A 704 3.887 1.100 -9.237 1.00 0.00 N ATOM 0 H GLN A 704 4.784 0.454 -4.099 1.00 0.00 H new ATOM 0 HA GLN A 704 2.808 1.443 -5.810 1.00 0.00 H new ATOM 0 HB2 GLN A 704 4.208 -1.169 -5.348 1.00 0.00 H new ATOM 0 HB3 GLN A 704 2.762 -1.200 -6.338 1.00 0.00 H new ATOM 0 HG2 GLN A 704 4.878 0.850 -6.938 1.00 0.00 H new ATOM 0 HG3 GLN A 704 5.161 -0.816 -7.403 1.00 0.00 H new ATOM 0 HE21 GLN A 704 4.700 1.675 -9.013 1.00 0.00 H new ATOM 0 HE22 GLN A 704 3.351 1.283 -10.085 1.00 0.00 H new ATOM 1004 N VAL A 705 1.680 -0.872 -3.722 1.00 0.00 N ATOM 1005 CA VAL A 705 0.472 -1.378 -3.082 1.00 0.00 C ATOM 1006 C VAL A 705 -0.265 -0.268 -2.342 1.00 0.00 C ATOM 1007 O VAL A 705 -1.482 -0.125 -2.465 1.00 0.00 O ATOM 1008 CB VAL A 705 0.794 -2.513 -2.092 1.00 0.00 C ATOM 1009 CG1 VAL A 705 -0.465 -2.966 -1.369 1.00 0.00 C ATOM 1010 CG2 VAL A 705 1.452 -3.679 -2.814 1.00 0.00 C ATOM 0 H VAL A 705 2.533 -1.371 -3.468 1.00 0.00 H new ATOM 0 HA VAL A 705 -0.166 -1.768 -3.875 1.00 0.00 H new ATOM 0 HB VAL A 705 1.494 -2.134 -1.348 1.00 0.00 H new ATOM 0 HG11 VAL A 705 -0.217 -3.768 -0.674 1.00 0.00 H new ATOM 0 HG12 VAL A 705 -0.890 -2.127 -0.818 1.00 0.00 H new ATOM 0 HG13 VAL A 705 -1.192 -3.328 -2.096 1.00 0.00 H new ATOM 0 HG21 VAL A 705 1.673 -4.472 -2.099 1.00 0.00 H new ATOM 0 HG22 VAL A 705 0.777 -4.059 -3.581 1.00 0.00 H new ATOM 0 HG23 VAL A 705 2.378 -3.343 -3.280 1.00 0.00 H new ATOM 1020 N PHE A 706 0.480 0.518 -1.572 1.00 0.00 N ATOM 1021 CA PHE A 706 -0.102 1.618 -0.811 1.00 0.00 C ATOM 1022 C PHE A 706 -0.761 2.633 -1.739 1.00 0.00 C ATOM 1023 O PHE A 706 -1.845 3.141 -1.451 1.00 0.00 O ATOM 1024 CB PHE A 706 0.972 2.305 0.035 1.00 0.00 C ATOM 1025 CG PHE A 706 0.587 3.685 0.487 1.00 0.00 C ATOM 1026 CD1 PHE A 706 -0.300 3.861 1.537 1.00 0.00 C ATOM 1027 CD2 PHE A 706 1.112 4.805 -0.137 1.00 0.00 C ATOM 1028 CE1 PHE A 706 -0.657 5.130 1.954 1.00 0.00 C ATOM 1029 CE2 PHE A 706 0.759 6.076 0.276 1.00 0.00 C ATOM 1030 CZ PHE A 706 -0.126 6.238 1.324 1.00 0.00 C ATOM 0 H PHE A 706 1.488 0.414 -1.458 1.00 0.00 H new ATOM 0 HA PHE A 706 -0.866 1.206 -0.152 1.00 0.00 H new ATOM 0 HB2 PHE A 706 1.182 1.690 0.910 1.00 0.00 H new ATOM 0 HB3 PHE A 706 1.895 2.365 -0.542 1.00 0.00 H new ATOM 0 HD1 PHE A 706 -0.717 2.998 2.035 1.00 0.00 H new ATOM 0 HD2 PHE A 706 1.805 4.684 -0.956 1.00 0.00 H new ATOM 0 HE1 PHE A 706 -1.351 5.255 2.772 1.00 0.00 H new ATOM 0 HE2 PHE A 706 1.174 6.941 -0.220 1.00 0.00 H new ATOM 0 HZ PHE A 706 -0.402 7.230 1.650 1.00 0.00 H new ATOM 1040 N ASP A 707 -0.100 2.924 -2.854 1.00 0.00 N ATOM 1041 CA ASP A 707 -0.621 3.878 -3.826 1.00 0.00 C ATOM 1042 C ASP A 707 -2.027 3.487 -4.270 1.00 0.00 C ATOM 1043 O ASP A 707 -2.953 4.295 -4.211 1.00 0.00 O ATOM 1044 CB ASP A 707 0.307 3.960 -5.039 1.00 0.00 C ATOM 1045 CG ASP A 707 0.025 5.175 -5.901 1.00 0.00 C ATOM 1046 OD1 ASP A 707 -0.492 6.176 -5.364 1.00 0.00 O ATOM 1047 OD2 ASP A 707 0.321 5.124 -7.114 1.00 0.00 O ATOM 0 H ASP A 707 0.798 2.513 -3.107 1.00 0.00 H new ATOM 0 HA ASP A 707 -0.669 4.857 -3.349 1.00 0.00 H new ATOM 0 HB2 ASP A 707 1.342 3.991 -4.700 1.00 0.00 H new ATOM 0 HB3 ASP A 707 0.196 3.058 -5.640 1.00 0.00 H new ATOM 1052 N GLN A 708 -2.177 2.244 -4.717 1.00 0.00 N ATOM 1053 CA GLN A 708 -3.470 1.748 -5.173 1.00 0.00 C ATOM 1054 C GLN A 708 -4.494 1.777 -4.043 1.00 0.00 C ATOM 1055 O GLN A 708 -5.662 2.101 -4.259 1.00 0.00 O ATOM 1056 CB GLN A 708 -3.331 0.325 -5.716 1.00 0.00 C ATOM 1057 CG GLN A 708 -2.499 0.236 -6.985 1.00 0.00 C ATOM 1058 CD GLN A 708 -3.257 0.700 -8.213 1.00 0.00 C ATOM 1059 OE1 GLN A 708 -3.323 1.895 -8.501 1.00 0.00 O ATOM 1060 NE2 GLN A 708 -3.835 -0.246 -8.945 1.00 0.00 N ATOM 0 H GLN A 708 -1.420 1.563 -4.773 1.00 0.00 H new ATOM 0 HA GLN A 708 -3.820 2.401 -5.972 1.00 0.00 H new ATOM 0 HB2 GLN A 708 -2.878 -0.305 -4.950 1.00 0.00 H new ATOM 0 HB3 GLN A 708 -4.324 -0.078 -5.914 1.00 0.00 H new ATOM 0 HG2 GLN A 708 -1.599 0.840 -6.868 1.00 0.00 H new ATOM 0 HG3 GLN A 708 -2.174 -0.794 -7.131 1.00 0.00 H new ATOM 0 HE21 GLN A 708 -3.755 -1.225 -8.669 1.00 0.00 H new ATOM 0 HE22 GLN A 708 -4.359 0.006 -9.783 1.00 0.00 H new ATOM 1069 N TYR A 709 -4.048 1.435 -2.839 1.00 0.00 N ATOM 1070 CA TYR A 709 -4.926 1.419 -1.675 1.00 0.00 C ATOM 1071 C TYR A 709 -5.438 2.821 -1.359 1.00 0.00 C ATOM 1072 O TYR A 709 -6.598 3.003 -0.990 1.00 0.00 O ATOM 1073 CB TYR A 709 -4.190 0.847 -0.463 1.00 0.00 C ATOM 1074 CG TYR A 709 -4.832 1.204 0.859 1.00 0.00 C ATOM 1075 CD1 TYR A 709 -4.550 2.410 1.488 1.00 0.00 C ATOM 1076 CD2 TYR A 709 -5.722 0.335 1.478 1.00 0.00 C ATOM 1077 CE1 TYR A 709 -5.133 2.739 2.696 1.00 0.00 C ATOM 1078 CE2 TYR A 709 -6.312 0.657 2.685 1.00 0.00 C ATOM 1079 CZ TYR A 709 -6.014 1.860 3.290 1.00 0.00 C ATOM 1080 OH TYR A 709 -6.598 2.185 4.493 1.00 0.00 O ATOM 0 H TYR A 709 -3.084 1.165 -2.644 1.00 0.00 H new ATOM 0 HA TYR A 709 -5.781 0.784 -1.905 1.00 0.00 H new ATOM 0 HB2 TYR A 709 -4.145 -0.238 -0.554 1.00 0.00 H new ATOM 0 HB3 TYR A 709 -3.162 1.210 -0.468 1.00 0.00 H new ATOM 0 HD1 TYR A 709 -3.863 3.102 1.024 1.00 0.00 H new ATOM 0 HD2 TYR A 709 -5.957 -0.608 1.008 1.00 0.00 H new ATOM 0 HE1 TYR A 709 -4.900 3.680 3.173 1.00 0.00 H new ATOM 0 HE2 TYR A 709 -7.003 -0.029 3.152 1.00 0.00 H new ATOM 0 HH TYR A 709 -6.981 3.086 4.438 1.00 0.00 H new ATOM 1090 N VAL A 710 -4.562 3.811 -1.508 1.00 0.00 N ATOM 1091 CA VAL A 710 -4.924 5.198 -1.240 1.00 0.00 C ATOM 1092 C VAL A 710 -5.900 5.723 -2.287 1.00 0.00 C ATOM 1093 O VAL A 710 -6.972 6.228 -1.955 1.00 0.00 O ATOM 1094 CB VAL A 710 -3.681 6.106 -1.212 1.00 0.00 C ATOM 1095 CG1 VAL A 710 -4.084 7.557 -0.997 1.00 0.00 C ATOM 1096 CG2 VAL A 710 -2.711 5.648 -0.133 1.00 0.00 C ATOM 0 H VAL A 710 -3.598 3.678 -1.813 1.00 0.00 H new ATOM 0 HA VAL A 710 -5.401 5.218 -0.260 1.00 0.00 H new ATOM 0 HB VAL A 710 -3.177 6.033 -2.176 1.00 0.00 H new ATOM 0 HG11 VAL A 710 -3.192 8.184 -0.980 1.00 0.00 H new ATOM 0 HG12 VAL A 710 -4.737 7.877 -1.809 1.00 0.00 H new ATOM 0 HG13 VAL A 710 -4.612 7.651 -0.048 1.00 0.00 H new ATOM 0 HG21 VAL A 710 -1.838 6.301 -0.127 1.00 0.00 H new ATOM 0 HG22 VAL A 710 -3.202 5.690 0.839 1.00 0.00 H new ATOM 0 HG23 VAL A 710 -2.397 4.624 -0.337 1.00 0.00 H new ATOM 1106 N LYS A 711 -5.522 5.600 -3.555 1.00 0.00 N ATOM 1107 CA LYS A 711 -6.363 6.060 -4.653 1.00 0.00 C ATOM 1108 C LYS A 711 -7.797 5.566 -4.484 1.00 0.00 C ATOM 1109 O LYS A 711 -8.748 6.339 -4.598 1.00 0.00 O ATOM 1110 CB LYS A 711 -5.800 5.576 -5.992 1.00 0.00 C ATOM 1111 CG LYS A 711 -4.726 6.484 -6.564 1.00 0.00 C ATOM 1112 CD LYS A 711 -3.790 5.726 -7.490 1.00 0.00 C ATOM 1113 CE LYS A 711 -4.324 5.691 -8.914 1.00 0.00 C ATOM 1114 NZ LYS A 711 -4.411 7.054 -9.508 1.00 0.00 N ATOM 0 H LYS A 711 -4.637 5.185 -3.847 1.00 0.00 H new ATOM 0 HA LYS A 711 -6.369 7.150 -4.641 1.00 0.00 H new ATOM 0 HB2 LYS A 711 -5.387 4.576 -5.863 1.00 0.00 H new ATOM 0 HB3 LYS A 711 -6.615 5.494 -6.711 1.00 0.00 H new ATOM 0 HG2 LYS A 711 -5.194 7.304 -7.109 1.00 0.00 H new ATOM 0 HG3 LYS A 711 -4.153 6.929 -5.750 1.00 0.00 H new ATOM 0 HD2 LYS A 711 -2.807 6.196 -7.480 1.00 0.00 H new ATOM 0 HD3 LYS A 711 -3.660 4.708 -7.124 1.00 0.00 H new ATOM 0 HE2 LYS A 711 -3.676 5.067 -9.530 1.00 0.00 H new ATOM 0 HE3 LYS A 711 -5.311 5.228 -8.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 711 -4.326 6.988 -10.542 1.00 0.00 H new ATOM 0 HZ2 LYS A 711 -5.327 7.482 -9.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 711 -3.641 7.645 -9.134 1.00 0.00 H new ATOM 1128 N THR A 712 -7.944 4.274 -4.210 1.00 0.00 N ATOM 1129 CA THR A 712 -9.261 3.678 -4.025 1.00 0.00 C ATOM 1130 C THR A 712 -9.936 4.215 -2.768 1.00 0.00 C ATOM 1131 O THR A 712 -11.143 4.455 -2.755 1.00 0.00 O ATOM 1132 CB THR A 712 -9.175 2.142 -3.931 1.00 0.00 C ATOM 1133 OG1 THR A 712 -8.263 1.766 -2.893 1.00 0.00 O ATOM 1134 CG2 THR A 712 -8.719 1.544 -5.254 1.00 0.00 C ATOM 0 H THR A 712 -7.167 3.620 -4.111 1.00 0.00 H new ATOM 0 HA THR A 712 -9.855 3.949 -4.898 1.00 0.00 H new ATOM 0 HB THR A 712 -10.168 1.757 -3.699 1.00 0.00 H new ATOM 0 HG1 THR A 712 -7.343 1.834 -3.225 1.00 0.00 H new ATOM 0 HG21 THR A 712 -8.666 0.459 -5.164 1.00 0.00 H new ATOM 0 HG22 THR A 712 -9.430 1.808 -6.037 1.00 0.00 H new ATOM 0 HG23 THR A 712 -7.735 1.936 -5.510 1.00 0.00 H new ATOM 1142 N ARG A 713 -9.149 4.401 -1.713 1.00 0.00 N ATOM 1143 CA ARG A 713 -9.672 4.910 -0.451 1.00 0.00 C ATOM 1144 C ARG A 713 -10.245 6.313 -0.626 1.00 0.00 C ATOM 1145 O ARG A 713 -11.348 6.605 -0.165 1.00 0.00 O ATOM 1146 CB ARG A 713 -8.571 4.926 0.612 1.00 0.00 C ATOM 1147 CG ARG A 713 -8.224 3.548 1.150 1.00 0.00 C ATOM 1148 CD ARG A 713 -9.097 3.178 2.340 1.00 0.00 C ATOM 1149 NE ARG A 713 -9.095 1.740 2.594 1.00 0.00 N ATOM 1150 CZ ARG A 713 -9.619 0.846 1.763 1.00 0.00 C ATOM 1151 NH1 ARG A 713 -10.182 1.240 0.629 1.00 0.00 N ATOM 1152 NH2 ARG A 713 -9.579 -0.445 2.064 1.00 0.00 N ATOM 0 H ARG A 713 -8.148 4.207 -1.707 1.00 0.00 H new ATOM 0 HA ARG A 713 -10.474 4.247 -0.125 1.00 0.00 H new ATOM 0 HB2 ARG A 713 -7.674 5.377 0.187 1.00 0.00 H new ATOM 0 HB3 ARG A 713 -8.886 5.561 1.440 1.00 0.00 H new ATOM 0 HG2 ARG A 713 -8.349 2.806 0.361 1.00 0.00 H new ATOM 0 HG3 ARG A 713 -7.175 3.525 1.446 1.00 0.00 H new ATOM 0 HD2 ARG A 713 -8.742 3.703 3.227 1.00 0.00 H new ATOM 0 HD3 ARG A 713 -10.118 3.513 2.158 1.00 0.00 H new ATOM 0 HE ARG A 713 -8.668 1.404 3.457 1.00 0.00 H new ATOM 0 HH11 ARG A 713 -10.213 2.232 0.393 1.00 0.00 H new ATOM 0 HH12 ARG A 713 -10.584 0.551 -0.007 1.00 0.00 H new ATOM 0 HH21 ARG A 713 -9.145 -0.752 2.935 1.00 0.00 H new ATOM 0 HH22 ARG A 713 -9.982 -1.130 1.425 1.00 0.00 H new ATOM 1166 N ALA A 714 -9.488 7.177 -1.294 1.00 0.00 N ATOM 1167 CA ALA A 714 -9.922 8.549 -1.531 1.00 0.00 C ATOM 1168 C ALA A 714 -11.004 8.605 -2.604 1.00 0.00 C ATOM 1169 O ALA A 714 -12.083 9.151 -2.381 1.00 0.00 O ATOM 1170 CB ALA A 714 -8.736 9.415 -1.928 1.00 0.00 C ATOM 0 H ALA A 714 -8.571 6.952 -1.681 1.00 0.00 H new ATOM 0 HA ALA A 714 -10.347 8.936 -0.605 1.00 0.00 H new ATOM 0 HB1 ALA A 714 -9.074 10.437 -2.102 1.00 0.00 H new ATOM 0 HB2 ALA A 714 -7.997 9.409 -1.127 1.00 0.00 H new ATOM 0 HB3 ALA A 714 -8.287 9.021 -2.840 1.00 0.00 H new