USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 537 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 18 THR OG1 : rot 180:sc= 0.0775 USER MOD Set 1.2: A 65 THR OG1 : rot -78:sc= 0.0802 USER MOD Single : A 28 HIS : no HE2:sc= -6.06! C(o=-6.1!,f=-8!) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.0137) USER MOD Single : A 42 MET CE :methyl -118:sc= -0.0371 (180deg=-0.263) USER MOD Single : A 43 MET CE :methyl -167:sc= 0 (180deg=-0.0433) USER MOD Single : A 49 ASN : amide:sc= -0.0444 K(o=-0.044,f=-2.9!) USER MOD Single : A 51 HIS : no HD1:sc= -0.25 X(o=-0.25,f=-0.098) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 70 ASN : amide:sc= -0.118 K(o=-0.12,f=-1.7) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 176 N VAL A 15 -0.423 -17.635 15.524 1.00 0.00 N ATOM 177 CA VAL A 15 -0.348 -16.208 15.816 1.00 0.00 C ATOM 178 C VAL A 15 0.142 -15.426 14.603 1.00 0.00 C ATOM 179 O VAL A 15 1.080 -15.825 13.912 1.00 0.00 O ATOM 180 CB VAL A 15 0.586 -15.927 17.008 1.00 0.00 C ATOM 181 CG1 VAL A 15 2.010 -16.345 16.680 1.00 0.00 C ATOM 182 CG2 VAL A 15 0.528 -14.456 17.393 1.00 0.00 C ATOM 0 HA VAL A 15 -1.356 -15.883 16.072 1.00 0.00 H new ATOM 0 HB VAL A 15 0.248 -16.516 17.860 1.00 0.00 H new ATOM 0 HG11 VAL A 15 2.655 -16.139 17.534 1.00 0.00 H new ATOM 0 HG12 VAL A 15 2.034 -17.412 16.456 1.00 0.00 H new ATOM 0 HG13 VAL A 15 2.363 -15.785 15.814 1.00 0.00 H new ATOM 0 HG21 VAL A 15 1.194 -14.274 18.237 1.00 0.00 H new ATOM 0 HG22 VAL A 15 0.841 -13.846 16.546 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -0.492 -14.193 17.672 1.00 0.00 H new ATOM 192 N PRO A 16 -0.504 -14.281 14.336 1.00 0.00 N ATOM 193 CA PRO A 16 -0.150 -13.416 13.207 1.00 0.00 C ATOM 194 C PRO A 16 1.194 -12.724 13.407 1.00 0.00 C ATOM 195 O PRO A 16 1.852 -12.906 14.431 1.00 0.00 O ATOM 196 CB PRO A 16 -1.282 -12.386 13.181 1.00 0.00 C ATOM 197 CG PRO A 16 -1.793 -12.348 14.580 1.00 0.00 C ATOM 198 CD PRO A 16 -1.631 -13.743 15.118 1.00 0.00 C ATOM 0 HA PRO A 16 -0.045 -13.979 12.279 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.920 -11.408 12.865 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -2.066 -12.677 12.481 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -1.233 -11.631 15.180 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -2.838 -12.039 14.606 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -1.414 -13.739 16.186 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -2.536 -14.335 14.979 1.00 0.00 H new ATOM 206 N VAL A 17 1.597 -11.929 12.421 1.00 0.00 N ATOM 207 CA VAL A 17 2.863 -11.209 12.488 1.00 0.00 C ATOM 208 C VAL A 17 2.776 -9.874 11.756 1.00 0.00 C ATOM 209 O VAL A 17 1.950 -9.698 10.858 1.00 0.00 O ATOM 210 CB VAL A 17 4.013 -12.037 11.885 1.00 0.00 C ATOM 211 CG1 VAL A 17 4.518 -13.061 12.892 1.00 0.00 C ATOM 212 CG2 VAL A 17 3.565 -12.716 10.601 1.00 0.00 C ATOM 0 H VAL A 17 1.065 -11.767 11.566 1.00 0.00 H new ATOM 0 HA VAL A 17 3.068 -11.029 13.543 1.00 0.00 H new ATOM 0 HB VAL A 17 4.835 -11.363 11.644 1.00 0.00 H new ATOM 0 HG11 VAL A 17 5.330 -13.637 12.449 1.00 0.00 H new ATOM 0 HG12 VAL A 17 4.881 -12.547 13.782 1.00 0.00 H new ATOM 0 HG13 VAL A 17 3.705 -13.733 13.167 1.00 0.00 H new ATOM 0 HG21 VAL A 17 4.391 -13.296 10.189 1.00 0.00 H new ATOM 0 HG22 VAL A 17 2.726 -13.379 10.813 1.00 0.00 H new ATOM 0 HG23 VAL A 17 3.257 -11.960 9.878 1.00 0.00 H new ATOM 222 N THR A 18 3.633 -8.935 12.144 1.00 0.00 N ATOM 223 CA THR A 18 3.653 -7.615 11.526 1.00 0.00 C ATOM 224 C THR A 18 4.707 -7.539 10.427 1.00 0.00 C ATOM 225 O THR A 18 5.764 -8.161 10.524 1.00 0.00 O ATOM 226 CB THR A 18 3.929 -6.512 12.564 1.00 0.00 C ATOM 227 OG1 THR A 18 2.950 -6.566 13.608 1.00 0.00 O ATOM 228 CG2 THR A 18 3.907 -5.138 11.914 1.00 0.00 C ATOM 0 H THR A 18 4.323 -9.064 12.884 1.00 0.00 H new ATOM 0 HA THR A 18 2.666 -7.455 11.091 1.00 0.00 H new ATOM 0 HB THR A 18 4.920 -6.681 12.985 1.00 0.00 H new ATOM 0 HG1 THR A 18 3.133 -5.862 14.265 1.00 0.00 H new ATOM 0 HG21 THR A 18 4.105 -4.376 12.668 1.00 0.00 H new ATOM 0 HG22 THR A 18 4.672 -5.090 11.140 1.00 0.00 H new ATOM 0 HG23 THR A 18 2.928 -4.962 11.468 1.00 0.00 H new ATOM 236 N ILE A 19 4.411 -6.770 9.384 1.00 0.00 N ATOM 237 CA ILE A 19 5.336 -6.612 8.268 1.00 0.00 C ATOM 238 C ILE A 19 5.554 -5.139 7.941 1.00 0.00 C ATOM 239 O ILE A 19 5.055 -4.257 8.639 1.00 0.00 O ATOM 240 CB ILE A 19 4.827 -7.336 7.008 1.00 0.00 C ATOM 241 CG1 ILE A 19 3.422 -6.849 6.645 1.00 0.00 C ATOM 242 CG2 ILE A 19 4.832 -8.842 7.223 1.00 0.00 C ATOM 243 CD1 ILE A 19 3.002 -7.208 5.237 1.00 0.00 C ATOM 0 H ILE A 19 3.540 -6.248 9.289 1.00 0.00 H new ATOM 0 HA ILE A 19 6.282 -7.058 8.576 1.00 0.00 H new ATOM 0 HB ILE A 19 5.497 -7.105 6.180 1.00 0.00 H new ATOM 0 HG12 ILE A 19 2.706 -7.274 7.348 1.00 0.00 H new ATOM 0 HG13 ILE A 19 3.380 -5.766 6.763 1.00 0.00 H new ATOM 0 HG21 ILE A 19 4.470 -9.339 6.323 1.00 0.00 H new ATOM 0 HG22 ILE A 19 5.847 -9.175 7.438 1.00 0.00 H new ATOM 0 HG23 ILE A 19 4.183 -9.092 8.062 1.00 0.00 H new ATOM 0 HD11 ILE A 19 1.996 -6.831 5.050 1.00 0.00 H new ATOM 0 HD12 ILE A 19 3.695 -6.760 4.525 1.00 0.00 H new ATOM 0 HD13 ILE A 19 3.011 -8.292 5.120 1.00 0.00 H new ATOM 255 N GLU A 20 6.302 -4.880 6.873 1.00 0.00 N ATOM 256 CA GLU A 20 6.586 -3.512 6.452 1.00 0.00 C ATOM 257 C GLU A 20 6.380 -3.351 4.949 1.00 0.00 C ATOM 258 O GLU A 20 6.877 -4.149 4.154 1.00 0.00 O ATOM 259 CB GLU A 20 8.019 -3.128 6.826 1.00 0.00 C ATOM 260 CG GLU A 20 8.161 -2.622 8.252 1.00 0.00 C ATOM 261 CD GLU A 20 9.604 -2.361 8.636 1.00 0.00 C ATOM 262 OE1 GLU A 20 10.478 -3.161 8.240 1.00 0.00 O ATOM 263 OE2 GLU A 20 9.861 -1.357 9.335 1.00 0.00 O ATOM 0 H GLU A 20 6.722 -5.599 6.284 1.00 0.00 H new ATOM 0 HA GLU A 20 5.893 -2.848 6.969 1.00 0.00 H new ATOM 0 HB2 GLU A 20 8.666 -3.995 6.691 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.371 -2.358 6.139 1.00 0.00 H new ATOM 0 HG2 GLU A 20 7.586 -1.703 8.367 1.00 0.00 H new ATOM 0 HG3 GLU A 20 7.733 -3.353 8.938 1.00 0.00 H new ATOM 270 N VAL A 21 5.642 -2.313 4.567 1.00 0.00 N ATOM 271 CA VAL A 21 5.369 -2.046 3.160 1.00 0.00 C ATOM 272 C VAL A 21 5.787 -0.631 2.778 1.00 0.00 C ATOM 273 O VAL A 21 5.309 0.345 3.357 1.00 0.00 O ATOM 274 CB VAL A 21 3.877 -2.236 2.831 1.00 0.00 C ATOM 275 CG1 VAL A 21 3.666 -2.303 1.326 1.00 0.00 C ATOM 276 CG2 VAL A 21 3.337 -3.486 3.509 1.00 0.00 C ATOM 0 H VAL A 21 5.223 -1.644 5.212 1.00 0.00 H new ATOM 0 HA VAL A 21 5.954 -2.762 2.583 1.00 0.00 H new ATOM 0 HB VAL A 21 3.327 -1.376 3.213 1.00 0.00 H new ATOM 0 HG11 VAL A 21 2.606 -2.438 1.113 1.00 0.00 H new ATOM 0 HG12 VAL A 21 4.013 -1.377 0.868 1.00 0.00 H new ATOM 0 HG13 VAL A 21 4.228 -3.143 0.917 1.00 0.00 H new ATOM 0 HG21 VAL A 21 2.281 -3.605 3.266 1.00 0.00 H new ATOM 0 HG22 VAL A 21 3.890 -4.358 3.159 1.00 0.00 H new ATOM 0 HG23 VAL A 21 3.452 -3.393 4.589 1.00 0.00 H new ATOM 286 N GLU A 22 6.682 -0.526 1.801 1.00 0.00 N ATOM 287 CA GLU A 22 7.163 0.772 1.342 1.00 0.00 C ATOM 288 C GLU A 22 6.050 1.550 0.645 1.00 0.00 C ATOM 289 O GLU A 22 5.586 1.165 -0.428 1.00 0.00 O ATOM 290 CB GLU A 22 8.348 0.594 0.392 1.00 0.00 C ATOM 291 CG GLU A 22 9.641 0.211 1.094 1.00 0.00 C ATOM 292 CD GLU A 22 10.603 -0.527 0.184 1.00 0.00 C ATOM 293 OE1 GLU A 22 10.131 -1.304 -0.672 1.00 0.00 O ATOM 294 OE2 GLU A 22 11.827 -0.327 0.328 1.00 0.00 O ATOM 0 H GLU A 22 7.089 -1.324 1.312 1.00 0.00 H new ATOM 0 HA GLU A 22 7.488 1.340 2.214 1.00 0.00 H new ATOM 0 HB2 GLU A 22 8.102 -0.174 -0.342 1.00 0.00 H new ATOM 0 HB3 GLU A 22 8.504 1.522 -0.158 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.124 1.111 1.474 1.00 0.00 H new ATOM 0 HG3 GLU A 22 9.410 -0.415 1.956 1.00 0.00 H new ATOM 301 N VAL A 23 5.626 2.647 1.263 1.00 0.00 N ATOM 302 CA VAL A 23 4.569 3.481 0.704 1.00 0.00 C ATOM 303 C VAL A 23 4.736 4.937 1.124 1.00 0.00 C ATOM 304 O VAL A 23 4.908 5.253 2.301 1.00 0.00 O ATOM 305 CB VAL A 23 3.176 2.989 1.141 1.00 0.00 C ATOM 306 CG1 VAL A 23 2.102 3.979 0.715 1.00 0.00 C ATOM 307 CG2 VAL A 23 2.896 1.608 0.567 1.00 0.00 C ATOM 0 H VAL A 23 5.999 2.979 2.152 1.00 0.00 H new ATOM 0 HA VAL A 23 4.649 3.408 -0.381 1.00 0.00 H new ATOM 0 HB VAL A 23 3.159 2.917 2.228 1.00 0.00 H new ATOM 0 HG11 VAL A 23 1.125 3.615 1.032 1.00 0.00 H new ATOM 0 HG12 VAL A 23 2.296 4.947 1.177 1.00 0.00 H new ATOM 0 HG13 VAL A 23 2.115 4.085 -0.370 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.908 1.275 0.885 1.00 0.00 H new ATOM 0 HG22 VAL A 23 2.931 1.653 -0.522 1.00 0.00 H new ATOM 0 HG23 VAL A 23 3.648 0.906 0.926 1.00 0.00 H new ATOM 317 N PRO A 24 4.685 5.846 0.140 1.00 0.00 N ATOM 318 CA PRO A 24 4.828 7.285 0.382 1.00 0.00 C ATOM 319 C PRO A 24 3.627 7.870 1.118 1.00 0.00 C ATOM 320 O PRO A 24 2.479 7.587 0.777 1.00 0.00 O ATOM 321 CB PRO A 24 4.931 7.874 -1.026 1.00 0.00 C ATOM 322 CG PRO A 24 4.233 6.889 -1.901 1.00 0.00 C ATOM 323 CD PRO A 24 4.484 5.540 -1.287 1.00 0.00 C ATOM 0 HA PRO A 24 5.687 7.509 1.015 1.00 0.00 H new ATOM 0 HB2 PRO A 24 4.460 8.855 -1.080 1.00 0.00 H new ATOM 0 HB3 PRO A 24 5.971 8.003 -1.326 1.00 0.00 H new ATOM 0 HG2 PRO A 24 3.165 7.101 -1.953 1.00 0.00 H new ATOM 0 HG3 PRO A 24 4.617 6.932 -2.920 1.00 0.00 H new ATOM 0 HD2 PRO A 24 3.641 4.866 -1.438 1.00 0.00 H new ATOM 0 HD3 PRO A 24 5.359 5.057 -1.722 1.00 0.00 H new ATOM 331 N PHE A 25 3.900 8.687 2.130 1.00 0.00 N ATOM 332 CA PHE A 25 2.842 9.313 2.915 1.00 0.00 C ATOM 333 C PHE A 25 1.908 10.123 2.021 1.00 0.00 C ATOM 334 O PHE A 25 0.747 10.348 2.361 1.00 0.00 O ATOM 335 CB PHE A 25 3.444 10.215 3.994 1.00 0.00 C ATOM 336 CG PHE A 25 2.423 10.783 4.938 1.00 0.00 C ATOM 337 CD1 PHE A 25 1.579 11.804 4.534 1.00 0.00 C ATOM 338 CD2 PHE A 25 2.308 10.295 6.230 1.00 0.00 C ATOM 339 CE1 PHE A 25 0.639 12.329 5.400 1.00 0.00 C ATOM 340 CE2 PHE A 25 1.368 10.816 7.101 1.00 0.00 C ATOM 341 CZ PHE A 25 0.533 11.834 6.685 1.00 0.00 C ATOM 0 H PHE A 25 4.845 8.931 2.426 1.00 0.00 H new ATOM 0 HA PHE A 25 2.263 8.523 3.394 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.178 9.646 4.565 1.00 0.00 H new ATOM 0 HB3 PHE A 25 3.979 11.034 3.514 1.00 0.00 H new ATOM 0 HD1 PHE A 25 1.656 12.195 3.530 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.959 9.499 6.560 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.012 13.126 5.072 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.287 10.427 8.105 1.00 0.00 H new ATOM 0 HZ PHE A 25 -0.202 12.242 7.363 1.00 0.00 H new ATOM 351 N ASP A 26 2.425 10.559 0.877 1.00 0.00 N ATOM 352 CA ASP A 26 1.639 11.345 -0.067 1.00 0.00 C ATOM 353 C ASP A 26 0.446 10.544 -0.578 1.00 0.00 C ATOM 354 O ASP A 26 -0.472 11.097 -1.187 1.00 0.00 O ATOM 355 CB ASP A 26 2.511 11.791 -1.242 1.00 0.00 C ATOM 356 CG ASP A 26 3.812 12.424 -0.789 1.00 0.00 C ATOM 357 OD1 ASP A 26 3.795 13.619 -0.424 1.00 0.00 O ATOM 358 OD2 ASP A 26 4.846 11.725 -0.800 1.00 0.00 O ATOM 0 H ASP A 26 3.385 10.381 0.581 1.00 0.00 H new ATOM 0 HA ASP A 26 1.266 12.227 0.453 1.00 0.00 H new ATOM 0 HB2 ASP A 26 2.730 10.931 -1.875 1.00 0.00 H new ATOM 0 HB3 ASP A 26 1.957 12.504 -1.852 1.00 0.00 H new ATOM 363 N LEU A 27 0.465 9.239 -0.330 1.00 0.00 N ATOM 364 CA LEU A 27 -0.615 8.361 -0.766 1.00 0.00 C ATOM 365 C LEU A 27 -1.537 8.013 0.397 1.00 0.00 C ATOM 366 O LEU A 27 -2.740 7.819 0.214 1.00 0.00 O ATOM 367 CB LEU A 27 -0.042 7.081 -1.380 1.00 0.00 C ATOM 368 CG LEU A 27 0.605 7.229 -2.757 1.00 0.00 C ATOM 369 CD1 LEU A 27 1.408 5.985 -3.105 1.00 0.00 C ATOM 370 CD2 LEU A 27 -0.453 7.496 -3.818 1.00 0.00 C ATOM 0 H LEU A 27 1.217 8.765 0.171 1.00 0.00 H new ATOM 0 HA LEU A 27 -1.197 8.889 -1.521 1.00 0.00 H new ATOM 0 HB2 LEU A 27 0.700 6.673 -0.694 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -0.844 6.347 -1.455 1.00 0.00 H new ATOM 0 HG LEU A 27 1.285 8.080 -2.728 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.861 6.108 -4.089 1.00 0.00 H new ATOM 0 HD12 LEU A 27 2.190 5.837 -2.361 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.748 5.117 -3.116 1.00 0.00 H new ATOM 0 HD21 LEU A 27 0.026 7.599 -4.792 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -1.158 6.665 -3.846 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -0.986 8.416 -3.577 1.00 0.00 H new ATOM 382 N HIS A 28 -0.966 7.936 1.596 1.00 0.00 N ATOM 383 CA HIS A 28 -1.738 7.614 2.791 1.00 0.00 C ATOM 384 C HIS A 28 -3.094 8.313 2.767 1.00 0.00 C ATOM 385 O HIS A 28 -4.139 7.663 2.783 1.00 0.00 O ATOM 386 CB HIS A 28 -0.965 8.016 4.046 1.00 0.00 C ATOM 387 CG HIS A 28 0.227 7.152 4.318 1.00 0.00 C ATOM 388 ND1 HIS A 28 1.092 7.372 5.369 1.00 0.00 N ATOM 389 CD2 HIS A 28 0.696 6.060 3.670 1.00 0.00 C ATOM 390 CE1 HIS A 28 2.043 6.454 5.355 1.00 0.00 C ATOM 391 NE2 HIS A 28 1.825 5.645 4.334 1.00 0.00 N ATOM 0 H HIS A 28 0.028 8.092 1.765 1.00 0.00 H new ATOM 0 HA HIS A 28 -1.905 6.537 2.806 1.00 0.00 H new ATOM 0 HB2 HIS A 28 -0.638 9.051 3.945 1.00 0.00 H new ATOM 0 HB3 HIS A 28 -1.636 7.976 4.904 1.00 0.00 H new ATOM 0 HD1 HIS A 28 1.011 8.126 6.051 1.00 0.00 H new ATOM 0 HD2 HIS A 28 0.263 5.600 2.794 1.00 0.00 H new ATOM 0 HE1 HIS A 28 2.859 6.378 6.058 1.00 0.00 H new ATOM 399 N ARG A 29 -3.068 9.642 2.730 1.00 0.00 N ATOM 400 CA ARG A 29 -4.295 10.430 2.707 1.00 0.00 C ATOM 401 C ARG A 29 -5.321 9.808 1.763 1.00 0.00 C ATOM 402 O ARG A 29 -6.523 9.840 2.030 1.00 0.00 O ATOM 403 CB ARG A 29 -3.995 11.867 2.277 1.00 0.00 C ATOM 404 CG ARG A 29 -3.422 11.975 0.873 1.00 0.00 C ATOM 405 CD ARG A 29 -2.738 13.316 0.652 1.00 0.00 C ATOM 406 NE ARG A 29 -3.669 14.332 0.170 1.00 0.00 N ATOM 407 CZ ARG A 29 -3.384 15.629 0.128 1.00 0.00 C ATOM 408 NH1 ARG A 29 -2.201 16.065 0.538 1.00 0.00 N ATOM 409 NH2 ARG A 29 -4.284 16.493 -0.324 1.00 0.00 N ATOM 0 H ARG A 29 -2.211 10.195 2.715 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.711 10.439 3.714 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.912 12.453 2.332 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.292 12.309 2.983 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -2.707 11.169 0.708 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.221 11.848 0.142 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.287 13.651 1.586 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.928 13.196 -0.068 1.00 0.00 H new ATOM 0 HE ARG A 29 -4.588 14.030 -0.152 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.507 15.404 0.887 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.985 17.061 0.505 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -5.196 16.162 -0.640 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -4.064 17.489 -0.356 1.00 0.00 H new ATOM 423 N TYR A 30 -4.840 9.246 0.661 1.00 0.00 N ATOM 424 CA TYR A 30 -5.716 8.621 -0.324 1.00 0.00 C ATOM 425 C TYR A 30 -6.086 7.203 0.100 1.00 0.00 C ATOM 426 O TYR A 30 -7.220 6.763 -0.087 1.00 0.00 O ATOM 427 CB TYR A 30 -5.040 8.596 -1.696 1.00 0.00 C ATOM 428 CG TYR A 30 -4.638 9.964 -2.198 1.00 0.00 C ATOM 429 CD1 TYR A 30 -5.476 11.061 -2.034 1.00 0.00 C ATOM 430 CD2 TYR A 30 -3.419 10.162 -2.836 1.00 0.00 C ATOM 431 CE1 TYR A 30 -5.114 12.312 -2.492 1.00 0.00 C ATOM 432 CE2 TYR A 30 -3.048 11.410 -3.295 1.00 0.00 C ATOM 433 CZ TYR A 30 -3.898 12.482 -3.122 1.00 0.00 C ATOM 434 OH TYR A 30 -3.533 13.728 -3.578 1.00 0.00 O ATOM 0 H TYR A 30 -3.848 9.210 0.426 1.00 0.00 H new ATOM 0 HA TYR A 30 -6.630 9.212 -0.388 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -4.154 7.963 -1.644 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -5.717 8.138 -2.417 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -6.427 10.932 -1.539 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -2.751 9.325 -2.975 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -5.779 13.153 -2.358 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -2.096 11.546 -3.787 1.00 0.00 H new ATOM 0 HH TYR A 30 -2.648 13.677 -3.996 1.00 0.00 H new ATOM 444 N VAL A 31 -5.119 6.492 0.671 1.00 0.00 N ATOM 445 CA VAL A 31 -5.342 5.124 1.123 1.00 0.00 C ATOM 446 C VAL A 31 -6.307 5.085 2.303 1.00 0.00 C ATOM 447 O VAL A 31 -7.370 4.468 2.228 1.00 0.00 O ATOM 448 CB VAL A 31 -4.021 4.446 1.532 1.00 0.00 C ATOM 449 CG1 VAL A 31 -4.262 2.994 1.916 1.00 0.00 C ATOM 450 CG2 VAL A 31 -3.000 4.547 0.409 1.00 0.00 C ATOM 0 H VAL A 31 -4.174 6.841 0.831 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.777 4.580 0.284 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.621 4.965 2.403 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -3.317 2.532 2.202 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -4.956 2.950 2.755 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -4.686 2.458 1.066 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.073 4.063 0.716 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.389 4.054 -0.482 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.805 5.596 0.188 1.00 0.00 H new ATOM 460 N ILE A 32 -5.929 5.748 3.391 1.00 0.00 N ATOM 461 CA ILE A 32 -6.763 5.791 4.586 1.00 0.00 C ATOM 462 C ILE A 32 -8.126 6.403 4.284 1.00 0.00 C ATOM 463 O ILE A 32 -9.160 5.874 4.690 1.00 0.00 O ATOM 464 CB ILE A 32 -6.090 6.596 5.713 1.00 0.00 C ATOM 465 CG1 ILE A 32 -4.708 6.019 6.027 1.00 0.00 C ATOM 466 CG2 ILE A 32 -6.964 6.597 6.958 1.00 0.00 C ATOM 467 CD1 ILE A 32 -3.802 6.984 6.757 1.00 0.00 C ATOM 0 H ILE A 32 -5.052 6.262 3.470 1.00 0.00 H new ATOM 0 HA ILE A 32 -6.895 4.760 4.915 1.00 0.00 H new ATOM 0 HB ILE A 32 -5.966 7.626 5.379 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -4.828 5.119 6.630 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -4.229 5.717 5.095 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -6.475 7.170 7.746 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -7.928 7.050 6.725 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -7.117 5.572 7.296 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -2.840 6.508 6.946 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -3.652 7.875 6.147 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -4.260 7.267 7.705 1.00 0.00 H new ATOM 550 N ILE A 39 -9.524 1.842 3.840 1.00 0.00 N ATOM 551 CA ILE A 39 -8.635 0.733 4.167 1.00 0.00 C ATOM 552 C ILE A 39 -9.420 -0.470 4.677 1.00 0.00 C ATOM 553 O ILE A 39 -9.095 -1.615 4.363 1.00 0.00 O ATOM 554 CB ILE A 39 -7.594 1.140 5.227 1.00 0.00 C ATOM 555 CG1 ILE A 39 -6.612 2.159 4.645 1.00 0.00 C ATOM 556 CG2 ILE A 39 -6.853 -0.086 5.740 1.00 0.00 C ATOM 557 CD1 ILE A 39 -5.714 2.794 5.684 1.00 0.00 C ATOM 0 HA ILE A 39 -8.118 0.462 3.247 1.00 0.00 H new ATOM 0 HB ILE A 39 -8.114 1.603 6.066 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -5.994 1.668 3.894 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -7.173 2.942 4.134 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -6.121 0.218 6.488 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -7.564 -0.780 6.189 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -6.342 -0.576 4.911 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -5.044 3.505 5.200 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -6.324 3.314 6.423 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -5.126 2.021 6.178 1.00 0.00 H new ATOM 569 N ARG A 40 -10.457 -0.202 5.464 1.00 0.00 N ATOM 570 CA ARG A 40 -11.291 -1.262 6.017 1.00 0.00 C ATOM 571 C ARG A 40 -11.495 -2.381 4.999 1.00 0.00 C ATOM 572 O ARG A 40 -11.380 -3.562 5.326 1.00 0.00 O ATOM 573 CB ARG A 40 -12.644 -0.701 6.455 1.00 0.00 C ATOM 574 CG ARG A 40 -13.463 -1.669 7.293 1.00 0.00 C ATOM 575 CD ARG A 40 -13.088 -1.585 8.765 1.00 0.00 C ATOM 576 NE ARG A 40 -13.374 -2.830 9.474 1.00 0.00 N ATOM 577 CZ ARG A 40 -13.058 -3.038 10.748 1.00 0.00 C ATOM 578 NH1 ARG A 40 -12.451 -2.089 11.448 1.00 0.00 N ATOM 579 NH2 ARG A 40 -13.350 -4.197 11.323 1.00 0.00 N ATOM 0 H ARG A 40 -10.740 0.740 5.733 1.00 0.00 H new ATOM 0 HA ARG A 40 -10.780 -1.675 6.887 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -12.481 0.213 7.026 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -13.217 -0.425 5.570 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -14.524 -1.449 7.173 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -13.306 -2.686 6.934 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -12.027 -1.351 8.856 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -13.636 -0.767 9.233 1.00 0.00 H new ATOM 0 HE ARG A 40 -13.841 -3.580 8.964 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -12.225 -1.196 11.009 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -12.210 -2.252 12.426 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -13.817 -4.929 10.787 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -13.107 -4.357 12.301 1.00 0.00 H new ATOM 593 N LYS A 41 -11.800 -1.999 3.764 1.00 0.00 N ATOM 594 CA LYS A 41 -12.020 -2.967 2.696 1.00 0.00 C ATOM 595 C LYS A 41 -11.039 -4.130 2.804 1.00 0.00 C ATOM 596 O LYS A 41 -11.442 -5.291 2.861 1.00 0.00 O ATOM 597 CB LYS A 41 -11.879 -2.292 1.329 1.00 0.00 C ATOM 598 CG LYS A 41 -12.162 -3.219 0.160 1.00 0.00 C ATOM 599 CD LYS A 41 -13.641 -3.556 0.061 1.00 0.00 C ATOM 600 CE LYS A 41 -13.896 -4.640 -0.975 1.00 0.00 C ATOM 601 NZ LYS A 41 -13.545 -4.188 -2.350 1.00 0.00 N ATOM 0 H LYS A 41 -11.901 -1.025 3.478 1.00 0.00 H new ATOM 0 HA LYS A 41 -13.032 -3.358 2.798 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -12.560 -1.442 1.281 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -10.868 -1.896 1.231 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -11.832 -2.749 -0.766 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -11.586 -4.137 0.274 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -14.006 -3.887 1.033 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -14.203 -2.660 -0.202 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -13.313 -5.526 -0.724 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -14.946 -4.931 -0.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -13.796 -4.930 -3.034 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -14.070 -3.318 -2.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -12.524 -4.000 -2.403 1.00 0.00 H new ATOM 615 N MET A 42 -9.749 -3.809 2.834 1.00 0.00 N ATOM 616 CA MET A 42 -8.712 -4.828 2.939 1.00 0.00 C ATOM 617 C MET A 42 -8.808 -5.568 4.269 1.00 0.00 C ATOM 618 O MET A 42 -9.011 -6.781 4.302 1.00 0.00 O ATOM 619 CB MET A 42 -7.328 -4.193 2.794 1.00 0.00 C ATOM 620 CG MET A 42 -7.123 -3.475 1.469 1.00 0.00 C ATOM 621 SD MET A 42 -5.629 -2.465 1.450 1.00 0.00 S ATOM 622 CE MET A 42 -4.364 -3.733 1.433 1.00 0.00 C ATOM 0 H MET A 42 -9.398 -2.852 2.787 1.00 0.00 H new ATOM 0 HA MET A 42 -8.861 -5.547 2.133 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.175 -3.485 3.609 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.569 -4.968 2.899 1.00 0.00 H new ATOM 0 HG2 MET A 42 -7.070 -4.210 0.666 1.00 0.00 H new ATOM 0 HG3 MET A 42 -7.987 -2.843 1.265 1.00 0.00 H new ATOM 0 HE1 MET A 42 -3.754 -3.650 2.332 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.834 -4.716 1.403 1.00 0.00 H new ATOM 0 HE3 MET A 42 -3.733 -3.606 0.553 1.00 0.00 H new ATOM 632 N MET A 43 -8.660 -4.829 5.364 1.00 0.00 N ATOM 633 CA MET A 43 -8.732 -5.417 6.697 1.00 0.00 C ATOM 634 C MET A 43 -9.897 -6.396 6.797 1.00 0.00 C ATOM 635 O MET A 43 -9.847 -7.357 7.565 1.00 0.00 O ATOM 636 CB MET A 43 -8.880 -4.319 7.753 1.00 0.00 C ATOM 637 CG MET A 43 -7.870 -3.193 7.606 1.00 0.00 C ATOM 638 SD MET A 43 -7.525 -2.360 9.167 1.00 0.00 S ATOM 639 CE MET A 43 -8.822 -1.127 9.187 1.00 0.00 C ATOM 0 H MET A 43 -8.490 -3.823 5.355 1.00 0.00 H new ATOM 0 HA MET A 43 -7.806 -5.963 6.878 1.00 0.00 H new ATOM 0 HB2 MET A 43 -9.886 -3.903 7.694 1.00 0.00 H new ATOM 0 HB3 MET A 43 -8.776 -4.762 8.743 1.00 0.00 H new ATOM 0 HG2 MET A 43 -6.941 -3.594 7.200 1.00 0.00 H new ATOM 0 HG3 MET A 43 -8.245 -2.466 6.886 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.611 -0.390 9.962 1.00 0.00 H new ATOM 0 HE2 MET A 43 -8.868 -0.631 8.217 1.00 0.00 H new ATOM 0 HE3 MET A 43 -9.778 -1.608 9.394 1.00 0.00 H new ATOM 649 N ASP A 44 -10.944 -6.145 6.019 1.00 0.00 N ATOM 650 CA ASP A 44 -12.121 -7.005 6.020 1.00 0.00 C ATOM 651 C ASP A 44 -11.968 -8.138 5.010 1.00 0.00 C ATOM 652 O ASP A 44 -12.396 -9.265 5.255 1.00 0.00 O ATOM 653 CB ASP A 44 -13.376 -6.191 5.704 1.00 0.00 C ATOM 654 CG ASP A 44 -13.995 -5.577 6.945 1.00 0.00 C ATOM 655 OD1 ASP A 44 -13.721 -6.080 8.056 1.00 0.00 O ATOM 656 OD2 ASP A 44 -14.753 -4.595 6.806 1.00 0.00 O ATOM 0 H ASP A 44 -11.001 -5.353 5.379 1.00 0.00 H new ATOM 0 HA ASP A 44 -12.220 -7.439 7.015 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -13.124 -5.400 4.998 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -14.109 -6.833 5.216 1.00 0.00 H new ATOM 661 N GLU A 45 -11.354 -7.829 3.871 1.00 0.00 N ATOM 662 CA GLU A 45 -11.147 -8.821 2.823 1.00 0.00 C ATOM 663 C GLU A 45 -9.977 -9.740 3.166 1.00 0.00 C ATOM 664 O GLU A 45 -10.144 -10.953 3.296 1.00 0.00 O ATOM 665 CB GLU A 45 -10.889 -8.131 1.481 1.00 0.00 C ATOM 666 CG GLU A 45 -10.136 -8.997 0.486 1.00 0.00 C ATOM 667 CD GLU A 45 -10.430 -8.623 -0.954 1.00 0.00 C ATOM 668 OE1 GLU A 45 -11.437 -9.120 -1.501 1.00 0.00 O ATOM 669 OE2 GLU A 45 -9.655 -7.833 -1.532 1.00 0.00 O ATOM 0 H GLU A 45 -10.992 -6.901 3.652 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.051 -9.425 2.747 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.843 -7.836 1.044 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.322 -7.216 1.655 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -9.065 -8.907 0.669 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.400 -10.042 0.647 1.00 0.00 H new ATOM 676 N PHE A 46 -8.795 -9.153 3.313 1.00 0.00 N ATOM 677 CA PHE A 46 -7.597 -9.919 3.640 1.00 0.00 C ATOM 678 C PHE A 46 -7.546 -10.237 5.131 1.00 0.00 C ATOM 679 O PHE A 46 -6.524 -10.692 5.644 1.00 0.00 O ATOM 680 CB PHE A 46 -6.343 -9.143 3.229 1.00 0.00 C ATOM 681 CG PHE A 46 -6.212 -8.958 1.745 1.00 0.00 C ATOM 682 CD1 PHE A 46 -5.791 -10.003 0.938 1.00 0.00 C ATOM 683 CD2 PHE A 46 -6.509 -7.739 1.156 1.00 0.00 C ATOM 684 CE1 PHE A 46 -5.668 -9.836 -0.429 1.00 0.00 C ATOM 685 CE2 PHE A 46 -6.390 -7.567 -0.210 1.00 0.00 C ATOM 686 CZ PHE A 46 -5.968 -8.616 -1.004 1.00 0.00 C ATOM 0 H PHE A 46 -8.640 -8.150 3.211 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.633 -10.858 3.087 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -6.357 -8.165 3.709 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.463 -9.668 3.601 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.556 -10.959 1.382 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -6.837 -6.914 1.771 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -5.338 -10.658 -1.047 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.627 -6.613 -0.657 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.873 -8.483 -2.072 1.00 0.00 H new ATOM 696 N GLU A 47 -8.656 -9.995 5.821 1.00 0.00 N ATOM 697 CA GLU A 47 -8.738 -10.255 7.253 1.00 0.00 C ATOM 698 C GLU A 47 -7.416 -9.927 7.941 1.00 0.00 C ATOM 699 O GLU A 47 -6.846 -10.761 8.644 1.00 0.00 O ATOM 700 CB GLU A 47 -9.110 -11.718 7.508 1.00 0.00 C ATOM 701 CG GLU A 47 -10.461 -12.111 6.936 1.00 0.00 C ATOM 702 CD GLU A 47 -10.989 -13.405 7.524 1.00 0.00 C ATOM 703 OE1 GLU A 47 -10.375 -14.464 7.278 1.00 0.00 O ATOM 704 OE2 GLU A 47 -12.018 -13.359 8.232 1.00 0.00 O ATOM 0 H GLU A 47 -9.511 -9.619 5.411 1.00 0.00 H new ATOM 0 HA GLU A 47 -9.514 -9.613 7.670 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -8.342 -12.360 7.077 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.113 -11.901 8.582 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -11.178 -11.312 7.124 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -10.377 -12.215 5.854 1.00 0.00 H new ATOM 711 N VAL A 48 -6.935 -8.706 7.733 1.00 0.00 N ATOM 712 CA VAL A 48 -5.681 -8.266 8.334 1.00 0.00 C ATOM 713 C VAL A 48 -5.835 -6.898 8.989 1.00 0.00 C ATOM 714 O VAL A 48 -6.902 -6.288 8.931 1.00 0.00 O ATOM 715 CB VAL A 48 -4.552 -8.198 7.288 1.00 0.00 C ATOM 716 CG1 VAL A 48 -3.915 -9.566 7.099 1.00 0.00 C ATOM 717 CG2 VAL A 48 -5.082 -7.660 5.968 1.00 0.00 C ATOM 0 H VAL A 48 -7.394 -8.004 7.153 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.419 -9.002 9.094 1.00 0.00 H new ATOM 0 HB VAL A 48 -3.784 -7.515 7.651 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.120 -9.498 6.357 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.498 -9.907 8.047 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -4.670 -10.275 6.758 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.272 -7.618 5.240 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -5.869 -8.317 5.597 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -5.486 -6.659 6.119 1.00 0.00 H new ATOM 727 N ASN A 49 -4.763 -6.423 9.613 1.00 0.00 N ATOM 728 CA ASN A 49 -4.778 -5.127 10.280 1.00 0.00 C ATOM 729 C ASN A 49 -3.675 -4.222 9.739 1.00 0.00 C ATOM 730 O ASN A 49 -2.490 -4.538 9.851 1.00 0.00 O ATOM 731 CB ASN A 49 -4.613 -5.304 11.791 1.00 0.00 C ATOM 732 CG ASN A 49 -5.888 -5.778 12.461 1.00 0.00 C ATOM 733 OD1 ASN A 49 -6.796 -6.288 11.803 1.00 0.00 O ATOM 734 ND2 ASN A 49 -5.964 -5.610 13.775 1.00 0.00 N ATOM 0 H ASN A 49 -3.872 -6.917 9.671 1.00 0.00 H new ATOM 0 HA ASN A 49 -5.740 -4.656 10.079 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.816 -6.022 11.985 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -4.304 -4.357 12.233 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -6.799 -5.908 14.280 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.188 -5.183 14.280 1.00 0.00 H new ATOM 741 N ILE A 50 -4.073 -3.097 9.154 1.00 0.00 N ATOM 742 CA ILE A 50 -3.117 -2.148 8.598 1.00 0.00 C ATOM 743 C ILE A 50 -2.927 -0.953 9.526 1.00 0.00 C ATOM 744 O ILE A 50 -3.891 -0.422 10.080 1.00 0.00 O ATOM 745 CB ILE A 50 -3.567 -1.642 7.215 1.00 0.00 C ATOM 746 CG1 ILE A 50 -3.694 -2.812 6.236 1.00 0.00 C ATOM 747 CG2 ILE A 50 -2.586 -0.606 6.686 1.00 0.00 C ATOM 748 CD1 ILE A 50 -4.608 -2.524 5.066 1.00 0.00 C ATOM 0 H ILE A 50 -5.050 -2.821 9.053 1.00 0.00 H new ATOM 0 HA ILE A 50 -2.170 -2.678 8.492 1.00 0.00 H new ATOM 0 HB ILE A 50 -4.544 -1.170 7.317 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -2.704 -3.069 5.859 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -4.067 -3.685 6.772 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -2.917 -0.258 5.708 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -2.540 0.237 7.375 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -1.597 -1.055 6.596 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -4.650 -3.396 4.414 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.609 -2.297 5.433 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -4.225 -1.671 4.506 1.00 0.00 H new ATOM 760 N HIS A 51 -1.676 -0.532 9.692 1.00 0.00 N ATOM 761 CA HIS A 51 -1.359 0.602 10.551 1.00 0.00 C ATOM 762 C HIS A 51 -0.446 1.590 9.831 1.00 0.00 C ATOM 763 O HIS A 51 0.637 1.229 9.369 1.00 0.00 O ATOM 764 CB HIS A 51 -0.692 0.122 11.840 1.00 0.00 C ATOM 765 CG HIS A 51 -1.665 -0.202 12.932 1.00 0.00 C ATOM 766 ND1 HIS A 51 -1.361 -1.034 13.989 1.00 0.00 N ATOM 767 CD2 HIS A 51 -2.942 0.200 13.128 1.00 0.00 C ATOM 768 CE1 HIS A 51 -2.409 -1.131 14.787 1.00 0.00 C ATOM 769 NE2 HIS A 51 -3.382 -0.390 14.287 1.00 0.00 N ATOM 0 H HIS A 51 -0.866 -0.960 9.243 1.00 0.00 H new ATOM 0 HA HIS A 51 -2.291 1.109 10.800 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -0.094 -0.763 11.622 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -0.005 0.892 12.193 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -3.510 0.862 12.491 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -2.462 -1.716 15.693 1.00 0.00 H new ATOM 0 HE2 HIS A 51 -4.309 -0.275 14.696 1.00 0.00 H new ATOM 777 N VAL A 52 -0.890 2.840 9.738 1.00 0.00 N ATOM 778 CA VAL A 52 -0.115 3.880 9.075 1.00 0.00 C ATOM 779 C VAL A 52 0.505 4.835 10.089 1.00 0.00 C ATOM 780 O VAL A 52 -0.128 5.241 11.063 1.00 0.00 O ATOM 781 CB VAL A 52 -0.983 4.687 8.091 1.00 0.00 C ATOM 782 CG1 VAL A 52 -0.144 5.735 7.373 1.00 0.00 C ATOM 783 CG2 VAL A 52 -1.657 3.758 7.092 1.00 0.00 C ATOM 0 H VAL A 52 -1.784 3.156 10.114 1.00 0.00 H new ATOM 0 HA VAL A 52 0.678 3.378 8.521 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.759 5.202 8.657 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -0.774 6.295 6.682 1.00 0.00 H new ATOM 0 HG12 VAL A 52 0.289 6.418 8.104 1.00 0.00 H new ATOM 0 HG13 VAL A 52 0.655 5.244 6.818 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.266 4.344 6.404 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -0.897 3.214 6.531 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.291 3.049 7.625 1.00 0.00 H new ATOM 793 N PRO A 53 1.774 5.203 9.857 1.00 0.00 N ATOM 794 CA PRO A 53 2.507 6.116 10.738 1.00 0.00 C ATOM 795 C PRO A 53 1.976 7.544 10.667 1.00 0.00 C ATOM 796 O PRO A 53 1.711 8.064 9.583 1.00 0.00 O ATOM 797 CB PRO A 53 3.940 6.052 10.204 1.00 0.00 C ATOM 798 CG PRO A 53 3.794 5.657 8.775 1.00 0.00 C ATOM 799 CD PRO A 53 2.590 4.758 8.715 1.00 0.00 C ATOM 0 HA PRO A 53 2.415 5.831 11.786 1.00 0.00 H new ATOM 0 HB2 PRO A 53 4.441 7.015 10.299 1.00 0.00 H new ATOM 0 HB3 PRO A 53 4.536 5.326 10.757 1.00 0.00 H new ATOM 0 HG2 PRO A 53 3.659 6.533 8.140 1.00 0.00 H new ATOM 0 HG3 PRO A 53 4.685 5.140 8.420 1.00 0.00 H new ATOM 0 HD2 PRO A 53 2.054 4.866 7.772 1.00 0.00 H new ATOM 0 HD3 PRO A 53 2.868 3.708 8.805 1.00 0.00 H new ATOM 807 N ALA A 54 1.822 8.173 11.827 1.00 0.00 N ATOM 808 CA ALA A 54 1.325 9.542 11.894 1.00 0.00 C ATOM 809 C ALA A 54 2.170 10.476 11.035 1.00 0.00 C ATOM 810 O ALA A 54 3.302 10.164 10.665 1.00 0.00 O ATOM 811 CB ALA A 54 1.303 10.024 13.338 1.00 0.00 C ATOM 0 H ALA A 54 2.034 7.757 12.734 1.00 0.00 H new ATOM 0 HA ALA A 54 0.308 9.553 11.502 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.930 11.048 13.374 1.00 0.00 H new ATOM 0 HB2 ALA A 54 0.651 9.379 13.927 1.00 0.00 H new ATOM 0 HB3 ALA A 54 2.312 9.991 13.748 1.00 0.00 H new ATOM 817 N PRO A 55 1.609 11.649 10.708 1.00 0.00 N ATOM 818 CA PRO A 55 2.294 12.653 9.888 1.00 0.00 C ATOM 819 C PRO A 55 3.461 13.303 10.622 1.00 0.00 C ATOM 820 O PRO A 55 4.337 13.906 10.003 1.00 0.00 O ATOM 821 CB PRO A 55 1.200 13.685 9.601 1.00 0.00 C ATOM 822 CG PRO A 55 0.240 13.541 10.731 1.00 0.00 C ATOM 823 CD PRO A 55 0.263 12.087 11.114 1.00 0.00 C ATOM 0 HA PRO A 55 2.732 12.216 8.991 1.00 0.00 H new ATOM 0 HB2 PRO A 55 1.609 14.694 9.555 1.00 0.00 H new ATOM 0 HB3 PRO A 55 0.716 13.494 8.643 1.00 0.00 H new ATOM 0 HG2 PRO A 55 0.531 14.170 11.572 1.00 0.00 H new ATOM 0 HG3 PRO A 55 -0.762 13.850 10.433 1.00 0.00 H new ATOM 0 HD2 PRO A 55 0.101 11.950 12.183 1.00 0.00 H new ATOM 0 HD3 PRO A 55 -0.515 11.523 10.599 1.00 0.00 H new ATOM 831 N GLU A 56 3.465 13.179 11.946 1.00 0.00 N ATOM 832 CA GLU A 56 4.524 13.756 12.764 1.00 0.00 C ATOM 833 C GLU A 56 5.795 12.914 12.682 1.00 0.00 C ATOM 834 O GLU A 56 6.893 13.400 12.956 1.00 0.00 O ATOM 835 CB GLU A 56 4.069 13.873 14.220 1.00 0.00 C ATOM 836 CG GLU A 56 3.599 12.557 14.818 1.00 0.00 C ATOM 837 CD GLU A 56 3.565 12.583 16.333 1.00 0.00 C ATOM 838 OE1 GLU A 56 4.628 12.817 16.946 1.00 0.00 O ATOM 839 OE2 GLU A 56 2.477 12.370 16.907 1.00 0.00 O ATOM 0 H GLU A 56 2.746 12.684 12.474 1.00 0.00 H new ATOM 0 HA GLU A 56 4.743 14.752 12.379 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.893 14.261 14.819 1.00 0.00 H new ATOM 0 HB3 GLU A 56 3.259 14.600 14.282 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.603 12.326 14.440 1.00 0.00 H new ATOM 0 HG3 GLU A 56 4.259 11.756 14.487 1.00 0.00 H new ATOM 846 N LEU A 57 5.636 11.650 12.305 1.00 0.00 N ATOM 847 CA LEU A 57 6.770 10.739 12.188 1.00 0.00 C ATOM 848 C LEU A 57 7.430 10.864 10.819 1.00 0.00 C ATOM 849 O LEU A 57 8.620 10.595 10.667 1.00 0.00 O ATOM 850 CB LEU A 57 6.316 9.296 12.417 1.00 0.00 C ATOM 851 CG LEU A 57 5.836 8.960 13.829 1.00 0.00 C ATOM 852 CD1 LEU A 57 5.252 7.556 13.876 1.00 0.00 C ATOM 853 CD2 LEU A 57 6.976 9.099 14.828 1.00 0.00 C ATOM 0 H LEU A 57 4.734 11.233 12.075 1.00 0.00 H new ATOM 0 HA LEU A 57 7.501 11.009 12.950 1.00 0.00 H new ATOM 0 HB2 LEU A 57 5.509 9.075 11.718 1.00 0.00 H new ATOM 0 HB3 LEU A 57 7.144 8.632 12.169 1.00 0.00 H new ATOM 0 HG LEU A 57 5.052 9.666 14.102 1.00 0.00 H new ATOM 0 HD11 LEU A 57 4.916 7.335 14.889 1.00 0.00 H new ATOM 0 HD12 LEU A 57 4.407 7.490 13.191 1.00 0.00 H new ATOM 0 HD13 LEU A 57 6.014 6.835 13.582 1.00 0.00 H new ATOM 0 HD21 LEU A 57 6.616 8.856 15.828 1.00 0.00 H new ATOM 0 HD22 LEU A 57 7.782 8.417 14.557 1.00 0.00 H new ATOM 0 HD23 LEU A 57 7.348 10.124 14.816 1.00 0.00 H new ATOM 865 N GLN A 58 6.648 11.279 9.826 1.00 0.00 N ATOM 866 CA GLN A 58 7.157 11.441 8.470 1.00 0.00 C ATOM 867 C GLN A 58 7.736 10.131 7.945 1.00 0.00 C ATOM 868 O GLN A 58 8.759 10.124 7.258 1.00 0.00 O ATOM 869 CB GLN A 58 8.225 12.536 8.432 1.00 0.00 C ATOM 870 CG GLN A 58 7.856 13.775 9.232 1.00 0.00 C ATOM 871 CD GLN A 58 8.801 14.933 8.985 1.00 0.00 C ATOM 872 OE1 GLN A 58 9.979 14.876 9.340 1.00 0.00 O ATOM 873 NE2 GLN A 58 8.290 15.995 8.372 1.00 0.00 N ATOM 0 H GLN A 58 5.660 11.509 9.936 1.00 0.00 H new ATOM 0 HA GLN A 58 6.325 11.731 7.829 1.00 0.00 H new ATOM 0 HB2 GLN A 58 9.162 12.132 8.816 1.00 0.00 H new ATOM 0 HB3 GLN A 58 8.403 12.823 7.395 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.841 14.079 8.976 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.857 13.530 10.294 1.00 0.00 H new ATOM 0 HE21 GLN A 58 7.308 16.001 8.095 1.00 0.00 H new ATOM 0 HE22 GLN A 58 8.879 16.805 8.179 1.00 0.00 H new ATOM 882 N SER A 59 7.077 9.025 8.272 1.00 0.00 N ATOM 883 CA SER A 59 7.529 7.709 7.837 1.00 0.00 C ATOM 884 C SER A 59 6.763 7.254 6.598 1.00 0.00 C ATOM 885 O SER A 59 5.549 7.437 6.504 1.00 0.00 O ATOM 886 CB SER A 59 7.352 6.688 8.963 1.00 0.00 C ATOM 887 OG SER A 59 8.182 5.557 8.761 1.00 0.00 O ATOM 0 H SER A 59 6.228 9.014 8.837 1.00 0.00 H new ATOM 0 HA SER A 59 8.587 7.780 7.584 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.591 7.152 9.920 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.309 6.374 9.013 1.00 0.00 H new ATOM 0 HG SER A 59 8.052 4.920 9.495 1.00 0.00 H new ATOM 893 N ASP A 60 7.482 6.660 5.652 1.00 0.00 N ATOM 894 CA ASP A 60 6.871 6.177 4.419 1.00 0.00 C ATOM 895 C ASP A 60 6.747 4.657 4.434 1.00 0.00 C ATOM 896 O ASP A 60 6.662 4.021 3.381 1.00 0.00 O ATOM 897 CB ASP A 60 7.694 6.622 3.209 1.00 0.00 C ATOM 898 CG ASP A 60 7.932 8.119 3.190 1.00 0.00 C ATOM 899 OD1 ASP A 60 7.081 8.848 2.638 1.00 0.00 O ATOM 900 OD2 ASP A 60 8.968 8.563 3.726 1.00 0.00 O ATOM 0 H ASP A 60 8.488 6.501 5.715 1.00 0.00 H new ATOM 0 HA ASP A 60 5.871 6.605 4.346 1.00 0.00 H new ATOM 0 HB2 ASP A 60 8.653 6.105 3.216 1.00 0.00 H new ATOM 0 HB3 ASP A 60 7.179 6.327 2.295 1.00 0.00 H new ATOM 905 N ILE A 61 6.737 4.080 5.630 1.00 0.00 N ATOM 906 CA ILE A 61 6.623 2.635 5.781 1.00 0.00 C ATOM 907 C ILE A 61 5.385 2.263 6.589 1.00 0.00 C ATOM 908 O ILE A 61 5.219 2.702 7.727 1.00 0.00 O ATOM 909 CB ILE A 61 7.868 2.040 6.467 1.00 0.00 C ATOM 910 CG1 ILE A 61 9.137 2.712 5.938 1.00 0.00 C ATOM 911 CG2 ILE A 61 7.925 0.537 6.247 1.00 0.00 C ATOM 912 CD1 ILE A 61 9.476 2.327 4.515 1.00 0.00 C ATOM 0 H ILE A 61 6.807 4.592 6.510 1.00 0.00 H new ATOM 0 HA ILE A 61 6.538 2.219 4.777 1.00 0.00 H new ATOM 0 HB ILE A 61 7.801 2.227 7.539 1.00 0.00 H new ATOM 0 HG12 ILE A 61 9.016 3.794 5.994 1.00 0.00 H new ATOM 0 HG13 ILE A 61 9.974 2.451 6.586 1.00 0.00 H new ATOM 0 HG21 ILE A 61 8.810 0.131 6.737 1.00 0.00 H new ATOM 0 HG22 ILE A 61 7.032 0.074 6.667 1.00 0.00 H new ATOM 0 HG23 ILE A 61 7.974 0.327 5.178 1.00 0.00 H new ATOM 0 HD11 ILE A 61 10.387 2.840 4.206 1.00 0.00 H new ATOM 0 HD12 ILE A 61 9.629 1.249 4.456 1.00 0.00 H new ATOM 0 HD13 ILE A 61 8.657 2.613 3.856 1.00 0.00 H new ATOM 924 N ILE A 62 4.519 1.449 5.993 1.00 0.00 N ATOM 925 CA ILE A 62 3.298 1.015 6.659 1.00 0.00 C ATOM 926 C ILE A 62 3.464 -0.376 7.262 1.00 0.00 C ATOM 927 O ILE A 62 4.057 -1.262 6.648 1.00 0.00 O ATOM 928 CB ILE A 62 2.102 1.001 5.688 1.00 0.00 C ATOM 929 CG1 ILE A 62 1.676 2.431 5.350 1.00 0.00 C ATOM 930 CG2 ILE A 62 0.940 0.225 6.289 1.00 0.00 C ATOM 931 CD1 ILE A 62 0.601 2.506 4.287 1.00 0.00 C ATOM 0 H ILE A 62 4.641 1.078 5.051 1.00 0.00 H new ATOM 0 HA ILE A 62 3.102 1.733 7.456 1.00 0.00 H new ATOM 0 HB ILE A 62 2.407 0.504 4.767 1.00 0.00 H new ATOM 0 HG12 ILE A 62 1.314 2.918 6.256 1.00 0.00 H new ATOM 0 HG13 ILE A 62 2.548 2.991 5.013 1.00 0.00 H new ATOM 0 HG21 ILE A 62 0.103 0.224 5.591 1.00 0.00 H new ATOM 0 HG22 ILE A 62 1.250 -0.801 6.484 1.00 0.00 H new ATOM 0 HG23 ILE A 62 0.633 0.695 7.223 1.00 0.00 H new ATOM 0 HD11 ILE A 62 0.348 3.549 4.098 1.00 0.00 H new ATOM 0 HD12 ILE A 62 0.966 2.049 3.367 1.00 0.00 H new ATOM 0 HD13 ILE A 62 -0.287 1.974 4.629 1.00 0.00 H new ATOM 943 N ALA A 63 2.935 -0.560 8.468 1.00 0.00 N ATOM 944 CA ALA A 63 3.022 -1.843 9.152 1.00 0.00 C ATOM 945 C ALA A 63 1.715 -2.620 9.029 1.00 0.00 C ATOM 946 O ALA A 63 0.643 -2.102 9.344 1.00 0.00 O ATOM 947 CB ALA A 63 3.381 -1.638 10.616 1.00 0.00 C ATOM 0 H ALA A 63 2.442 0.164 8.991 1.00 0.00 H new ATOM 0 HA ALA A 63 3.809 -2.428 8.676 1.00 0.00 H new ATOM 0 HB1 ALA A 63 3.442 -2.605 11.114 1.00 0.00 H new ATOM 0 HB2 ALA A 63 4.343 -1.131 10.687 1.00 0.00 H new ATOM 0 HB3 ALA A 63 2.615 -1.030 11.097 1.00 0.00 H new ATOM 953 N ILE A 64 1.812 -3.863 8.572 1.00 0.00 N ATOM 954 CA ILE A 64 0.636 -4.710 8.409 1.00 0.00 C ATOM 955 C ILE A 64 0.745 -5.971 9.259 1.00 0.00 C ATOM 956 O ILE A 64 1.750 -6.682 9.211 1.00 0.00 O ATOM 957 CB ILE A 64 0.432 -5.114 6.937 1.00 0.00 C ATOM 958 CG1 ILE A 64 0.683 -3.917 6.018 1.00 0.00 C ATOM 959 CG2 ILE A 64 -0.970 -5.664 6.727 1.00 0.00 C ATOM 960 CD1 ILE A 64 0.511 -4.235 4.549 1.00 0.00 C ATOM 0 H ILE A 64 2.692 -4.307 8.308 1.00 0.00 H new ATOM 0 HA ILE A 64 -0.222 -4.124 8.739 1.00 0.00 H new ATOM 0 HB ILE A 64 1.149 -5.897 6.688 1.00 0.00 H new ATOM 0 HG12 ILE A 64 0.000 -3.112 6.289 1.00 0.00 H new ATOM 0 HG13 ILE A 64 1.695 -3.547 6.185 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -1.098 -5.945 5.682 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -1.115 -6.540 7.359 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -1.703 -4.902 6.990 1.00 0.00 H new ATOM 0 HD11 ILE A 64 0.705 -3.340 3.958 1.00 0.00 H new ATOM 0 HD12 ILE A 64 1.212 -5.018 4.262 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -0.508 -4.576 4.368 1.00 0.00 H new ATOM 972 N THR A 65 -0.297 -6.245 10.038 1.00 0.00 N ATOM 973 CA THR A 65 -0.319 -7.421 10.900 1.00 0.00 C ATOM 974 C THR A 65 -1.256 -8.489 10.348 1.00 0.00 C ATOM 975 O THR A 65 -2.328 -8.180 9.829 1.00 0.00 O ATOM 976 CB THR A 65 -0.757 -7.059 12.332 1.00 0.00 C ATOM 977 OG1 THR A 65 -0.088 -5.869 12.764 1.00 0.00 O ATOM 978 CG2 THR A 65 -0.452 -8.197 13.294 1.00 0.00 C ATOM 0 H THR A 65 -1.137 -5.668 10.090 1.00 0.00 H new ATOM 0 HA THR A 65 0.698 -7.813 10.927 1.00 0.00 H new ATOM 0 HB THR A 65 -1.833 -6.887 12.327 1.00 0.00 H new ATOM 0 HG1 THR A 65 0.828 -6.089 13.035 1.00 0.00 H new ATOM 0 HG21 THR A 65 -0.770 -7.919 14.299 1.00 0.00 H new ATOM 0 HG22 THR A 65 -0.987 -9.093 12.979 1.00 0.00 H new ATOM 0 HG23 THR A 65 0.620 -8.396 13.294 1.00 0.00 H new ATOM 986 N GLY A 66 -0.844 -9.747 10.465 1.00 0.00 N ATOM 987 CA GLY A 66 -1.660 -10.843 9.973 1.00 0.00 C ATOM 988 C GLY A 66 -0.853 -12.103 9.730 1.00 0.00 C ATOM 989 O GLY A 66 0.369 -12.107 9.889 1.00 0.00 O ATOM 0 H GLY A 66 0.039 -10.028 10.891 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.451 -11.055 10.693 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -2.146 -10.542 9.045 1.00 0.00 H new ATOM 993 N LEU A 67 -1.536 -13.176 9.347 1.00 0.00 N ATOM 994 CA LEU A 67 -0.874 -14.449 9.084 1.00 0.00 C ATOM 995 C LEU A 67 0.016 -14.356 7.849 1.00 0.00 C ATOM 996 O LEU A 67 -0.379 -13.796 6.828 1.00 0.00 O ATOM 997 CB LEU A 67 -1.913 -15.557 8.896 1.00 0.00 C ATOM 998 CG LEU A 67 -2.645 -16.011 10.159 1.00 0.00 C ATOM 999 CD1 LEU A 67 -3.714 -17.039 9.815 1.00 0.00 C ATOM 1000 CD2 LEU A 67 -1.661 -16.582 11.170 1.00 0.00 C ATOM 0 H LEU A 67 -2.547 -13.190 9.212 1.00 0.00 H new ATOM 0 HA LEU A 67 -0.247 -14.688 9.943 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -2.654 -15.214 8.174 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -1.417 -16.422 8.457 1.00 0.00 H new ATOM 0 HG LEU A 67 -3.132 -15.144 10.605 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -4.225 -17.351 10.726 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -4.435 -16.598 9.127 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -3.248 -17.905 9.345 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -2.200 -16.900 12.063 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.146 -17.437 10.733 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.932 -15.818 11.439 1.00 0.00 H new ATOM 1012 N ALA A 68 1.219 -14.912 7.950 1.00 0.00 N ATOM 1013 CA ALA A 68 2.163 -14.895 6.840 1.00 0.00 C ATOM 1014 C ALA A 68 1.445 -15.062 5.505 1.00 0.00 C ATOM 1015 O ALA A 68 1.750 -14.371 4.535 1.00 0.00 O ATOM 1016 CB ALA A 68 3.208 -15.987 7.019 1.00 0.00 C ATOM 0 H ALA A 68 1.562 -15.380 8.789 1.00 0.00 H new ATOM 0 HA ALA A 68 2.662 -13.926 6.835 1.00 0.00 H new ATOM 0 HB1 ALA A 68 3.907 -15.963 6.183 1.00 0.00 H new ATOM 0 HB2 ALA A 68 3.751 -15.822 7.950 1.00 0.00 H new ATOM 0 HB3 ALA A 68 2.716 -16.959 7.053 1.00 0.00 H new ATOM 1022 N ALA A 69 0.489 -15.985 5.465 1.00 0.00 N ATOM 1023 CA ALA A 69 -0.273 -16.242 4.249 1.00 0.00 C ATOM 1024 C ALA A 69 -1.054 -15.004 3.819 1.00 0.00 C ATOM 1025 O ALA A 69 -1.062 -14.641 2.644 1.00 0.00 O ATOM 1026 CB ALA A 69 -1.217 -17.418 4.456 1.00 0.00 C ATOM 0 H ALA A 69 0.224 -16.567 6.260 1.00 0.00 H new ATOM 0 HA ALA A 69 0.431 -16.490 3.454 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -1.780 -17.599 3.540 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -0.640 -18.308 4.709 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -1.908 -17.191 5.268 1.00 0.00 H new ATOM 1032 N ASN A 70 -1.710 -14.361 4.779 1.00 0.00 N ATOM 1033 CA ASN A 70 -2.496 -13.164 4.499 1.00 0.00 C ATOM 1034 C ASN A 70 -1.591 -11.998 4.114 1.00 0.00 C ATOM 1035 O ASN A 70 -1.820 -11.327 3.107 1.00 0.00 O ATOM 1036 CB ASN A 70 -3.340 -12.788 5.718 1.00 0.00 C ATOM 1037 CG ASN A 70 -4.250 -13.916 6.163 1.00 0.00 C ATOM 1038 OD1 ASN A 70 -4.342 -14.951 5.503 1.00 0.00 O ATOM 1039 ND2 ASN A 70 -4.926 -13.722 7.289 1.00 0.00 N ATOM 0 H ASN A 70 -1.713 -14.648 5.758 1.00 0.00 H new ATOM 0 HA ASN A 70 -3.157 -13.380 3.660 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -2.681 -12.511 6.541 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -3.942 -11.911 5.482 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -5.552 -14.447 7.639 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -4.819 -12.848 7.804 1.00 0.00 H new ATOM 1046 N LEU A 71 -0.562 -11.763 4.920 1.00 0.00 N ATOM 1047 CA LEU A 71 0.380 -10.678 4.663 1.00 0.00 C ATOM 1048 C LEU A 71 0.804 -10.660 3.198 1.00 0.00 C ATOM 1049 O LEU A 71 0.960 -9.595 2.599 1.00 0.00 O ATOM 1050 CB LEU A 71 1.610 -10.821 5.560 1.00 0.00 C ATOM 1051 CG LEU A 71 1.337 -10.949 7.059 1.00 0.00 C ATOM 1052 CD1 LEU A 71 2.561 -11.493 7.779 1.00 0.00 C ATOM 1053 CD2 LEU A 71 0.926 -9.605 7.642 1.00 0.00 C ATOM 0 H LEU A 71 -0.358 -12.309 5.757 1.00 0.00 H new ATOM 0 HA LEU A 71 -0.119 -9.736 4.889 1.00 0.00 H new ATOM 0 HB2 LEU A 71 2.170 -11.698 5.237 1.00 0.00 H new ATOM 0 HB3 LEU A 71 2.253 -9.956 5.401 1.00 0.00 H new ATOM 0 HG LEU A 71 0.515 -11.651 7.202 1.00 0.00 H new ATOM 0 HD11 LEU A 71 2.349 -11.577 8.845 1.00 0.00 H new ATOM 0 HD12 LEU A 71 2.811 -12.476 7.380 1.00 0.00 H new ATOM 0 HD13 LEU A 71 3.402 -10.816 7.629 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.736 -9.714 8.710 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.727 -8.882 7.489 1.00 0.00 H new ATOM 0 HD23 LEU A 71 0.021 -9.255 7.146 1.00 0.00 H new ATOM 1065 N ASP A 72 0.984 -11.844 2.625 1.00 0.00 N ATOM 1066 CA ASP A 72 1.385 -11.966 1.228 1.00 0.00 C ATOM 1067 C ASP A 72 0.303 -11.420 0.302 1.00 0.00 C ATOM 1068 O ASP A 72 0.556 -10.527 -0.505 1.00 0.00 O ATOM 1069 CB ASP A 72 1.680 -13.426 0.885 1.00 0.00 C ATOM 1070 CG ASP A 72 3.125 -13.803 1.148 1.00 0.00 C ATOM 1071 OD1 ASP A 72 3.587 -13.620 2.293 1.00 0.00 O ATOM 1072 OD2 ASP A 72 3.794 -14.282 0.208 1.00 0.00 O ATOM 0 H ASP A 72 0.859 -12.734 3.106 1.00 0.00 H new ATOM 0 HA ASP A 72 2.291 -11.378 1.083 1.00 0.00 H new ATOM 0 HB2 ASP A 72 1.027 -14.073 1.471 1.00 0.00 H new ATOM 0 HB3 ASP A 72 1.447 -13.604 -0.165 1.00 0.00 H new ATOM 1077 N ARG A 73 -0.903 -11.966 0.425 1.00 0.00 N ATOM 1078 CA ARG A 73 -2.024 -11.535 -0.403 1.00 0.00 C ATOM 1079 C ARG A 73 -2.286 -10.043 -0.229 1.00 0.00 C ATOM 1080 O ARG A 73 -2.296 -9.287 -1.200 1.00 0.00 O ATOM 1081 CB ARG A 73 -3.282 -12.330 -0.048 1.00 0.00 C ATOM 1082 CG ARG A 73 -2.993 -13.738 0.451 1.00 0.00 C ATOM 1083 CD ARG A 73 -4.123 -14.694 0.104 1.00 0.00 C ATOM 1084 NE ARG A 73 -4.406 -14.710 -1.329 1.00 0.00 N ATOM 1085 CZ ARG A 73 -5.364 -15.447 -1.880 1.00 0.00 C ATOM 1086 NH1 ARG A 73 -6.128 -16.222 -1.123 1.00 0.00 N ATOM 1087 NH2 ARG A 73 -5.561 -15.409 -3.192 1.00 0.00 N ATOM 0 H ARG A 73 -1.129 -12.707 1.089 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.767 -11.721 -1.446 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.839 -11.790 0.717 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.924 -12.390 -0.927 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.063 -14.097 0.011 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.849 -13.720 1.531 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.861 -15.700 0.433 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.022 -14.405 0.648 1.00 0.00 H new ATOM 0 HE ARG A 73 -3.837 -14.123 -1.940 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.981 -16.254 -0.114 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.863 -16.787 -1.549 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -4.976 -14.813 -3.778 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.297 -15.975 -3.614 1.00 0.00 H new ATOM 1101 N ALA A 74 -2.499 -9.625 1.014 1.00 0.00 N ATOM 1102 CA ALA A 74 -2.760 -8.223 1.316 1.00 0.00 C ATOM 1103 C ALA A 74 -1.649 -7.329 0.775 1.00 0.00 C ATOM 1104 O ALA A 74 -1.886 -6.470 -0.073 1.00 0.00 O ATOM 1105 CB ALA A 74 -2.917 -8.026 2.816 1.00 0.00 C ATOM 0 H ALA A 74 -2.496 -10.238 1.829 1.00 0.00 H new ATOM 0 HA ALA A 74 -3.691 -7.938 0.825 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -3.111 -6.974 3.026 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -3.751 -8.628 3.177 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -2.002 -8.334 3.321 1.00 0.00 H new ATOM 1111 N LYS A 75 -0.435 -7.537 1.274 1.00 0.00 N ATOM 1112 CA LYS A 75 0.715 -6.750 0.841 1.00 0.00 C ATOM 1113 C LYS A 75 0.729 -6.597 -0.675 1.00 0.00 C ATOM 1114 O LYS A 75 1.058 -5.532 -1.198 1.00 0.00 O ATOM 1115 CB LYS A 75 2.014 -7.408 1.310 1.00 0.00 C ATOM 1116 CG LYS A 75 3.259 -6.608 0.969 1.00 0.00 C ATOM 1117 CD LYS A 75 4.525 -7.344 1.379 1.00 0.00 C ATOM 1118 CE LYS A 75 5.759 -6.724 0.744 1.00 0.00 C ATOM 1119 NZ LYS A 75 7.013 -7.188 1.400 1.00 0.00 N ATOM 0 H LYS A 75 -0.222 -8.243 1.978 1.00 0.00 H new ATOM 0 HA LYS A 75 0.635 -5.759 1.288 1.00 0.00 H new ATOM 0 HB2 LYS A 75 1.969 -7.552 2.390 1.00 0.00 H new ATOM 0 HB3 LYS A 75 2.093 -8.397 0.860 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.283 -6.410 -0.103 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.220 -5.641 1.471 1.00 0.00 H new ATOM 0 HD2 LYS A 75 4.624 -7.324 2.464 1.00 0.00 H new ATOM 0 HD3 LYS A 75 4.450 -8.391 1.085 1.00 0.00 H new ATOM 0 HE2 LYS A 75 5.788 -6.977 -0.316 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.695 -5.638 0.810 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.832 -6.743 0.938 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.997 -6.924 2.406 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.087 -8.222 1.315 1.00 0.00 H new ATOM 1133 N ALA A 76 0.368 -7.665 -1.378 1.00 0.00 N ATOM 1134 CA ALA A 76 0.336 -7.648 -2.835 1.00 0.00 C ATOM 1135 C ALA A 76 -0.659 -6.612 -3.350 1.00 0.00 C ATOM 1136 O ALA A 76 -0.392 -5.913 -4.325 1.00 0.00 O ATOM 1137 CB ALA A 76 -0.011 -9.028 -3.372 1.00 0.00 C ATOM 0 H ALA A 76 0.093 -8.554 -0.961 1.00 0.00 H new ATOM 0 HA ALA A 76 1.328 -7.371 -3.192 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -0.031 -9.000 -4.461 1.00 0.00 H new ATOM 0 HB2 ALA A 76 0.739 -9.746 -3.041 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -0.990 -9.328 -2.999 1.00 0.00 H new ATOM 1143 N GLY A 77 -1.807 -6.521 -2.687 1.00 0.00 N ATOM 1144 CA GLY A 77 -2.824 -5.569 -3.093 1.00 0.00 C ATOM 1145 C GLY A 77 -2.385 -4.131 -2.897 1.00 0.00 C ATOM 1146 O GLY A 77 -2.677 -3.267 -3.724 1.00 0.00 O ATOM 0 H GLY A 77 -2.051 -7.089 -1.876 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.070 -5.731 -4.143 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -3.734 -5.749 -2.521 1.00 0.00 H new ATOM 1150 N LEU A 78 -1.680 -3.874 -1.800 1.00 0.00 N ATOM 1151 CA LEU A 78 -1.201 -2.530 -1.496 1.00 0.00 C ATOM 1152 C LEU A 78 -0.094 -2.117 -2.461 1.00 0.00 C ATOM 1153 O LEU A 78 -0.165 -1.059 -3.088 1.00 0.00 O ATOM 1154 CB LEU A 78 -0.688 -2.463 -0.057 1.00 0.00 C ATOM 1155 CG LEU A 78 -0.492 -1.061 0.521 1.00 0.00 C ATOM 1156 CD1 LEU A 78 -1.826 -0.339 0.638 1.00 0.00 C ATOM 1157 CD2 LEU A 78 0.197 -1.135 1.876 1.00 0.00 C ATOM 0 H LEU A 78 -1.428 -4.578 -1.107 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.036 -1.839 -1.610 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -1.386 -3.003 0.582 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.264 -2.991 -0.007 1.00 0.00 H new ATOM 0 HG LEU A 78 0.145 -0.495 -0.159 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -1.666 0.657 1.051 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -2.281 -0.254 -0.349 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -2.488 -0.902 1.295 1.00 0.00 H new ATOM 0 HD21 LEU A 78 0.329 -0.128 2.273 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -0.415 -1.719 2.564 1.00 0.00 H new ATOM 0 HD23 LEU A 78 1.171 -1.611 1.763 1.00 0.00 H new ATOM 1169 N LEU A 79 0.927 -2.958 -2.578 1.00 0.00 N ATOM 1170 CA LEU A 79 2.049 -2.681 -3.469 1.00 0.00 C ATOM 1171 C LEU A 79 1.557 -2.268 -4.851 1.00 0.00 C ATOM 1172 O LEU A 79 2.078 -1.327 -5.450 1.00 0.00 O ATOM 1173 CB LEU A 79 2.950 -3.913 -3.584 1.00 0.00 C ATOM 1174 CG LEU A 79 3.813 -4.228 -2.361 1.00 0.00 C ATOM 1175 CD1 LEU A 79 4.589 -5.519 -2.575 1.00 0.00 C ATOM 1176 CD2 LEU A 79 4.763 -3.076 -2.067 1.00 0.00 C ATOM 0 H LEU A 79 1.002 -3.838 -2.067 1.00 0.00 H new ATOM 0 HA LEU A 79 2.622 -1.856 -3.046 1.00 0.00 H new ATOM 0 HB2 LEU A 79 2.323 -4.779 -3.794 1.00 0.00 H new ATOM 0 HB3 LEU A 79 3.607 -3.779 -4.443 1.00 0.00 H new ATOM 0 HG LEU A 79 3.157 -4.360 -1.501 1.00 0.00 H new ATOM 0 HD11 LEU A 79 5.198 -5.728 -1.695 1.00 0.00 H new ATOM 0 HD12 LEU A 79 3.891 -6.340 -2.737 1.00 0.00 H new ATOM 0 HD13 LEU A 79 5.235 -5.415 -3.447 1.00 0.00 H new ATOM 0 HD21 LEU A 79 5.369 -3.318 -1.194 1.00 0.00 H new ATOM 0 HD22 LEU A 79 5.414 -2.913 -2.926 1.00 0.00 H new ATOM 0 HD23 LEU A 79 4.188 -2.171 -1.870 1.00 0.00 H new ATOM 1188 N GLU A 80 0.548 -2.974 -5.351 1.00 0.00 N ATOM 1189 CA GLU A 80 -0.015 -2.678 -6.663 1.00 0.00 C ATOM 1190 C GLU A 80 -0.818 -1.381 -6.630 1.00 0.00 C ATOM 1191 O GLU A 80 -0.836 -0.626 -7.603 1.00 0.00 O ATOM 1192 CB GLU A 80 -0.907 -3.830 -7.132 1.00 0.00 C ATOM 1193 CG GLU A 80 -0.134 -4.990 -7.738 1.00 0.00 C ATOM 1194 CD GLU A 80 -1.000 -5.872 -8.616 1.00 0.00 C ATOM 1195 OE1 GLU A 80 -2.030 -6.376 -8.119 1.00 0.00 O ATOM 1196 OE2 GLU A 80 -0.649 -6.060 -9.799 1.00 0.00 O ATOM 0 H GLU A 80 0.104 -3.755 -4.868 1.00 0.00 H new ATOM 0 HA GLU A 80 0.810 -2.557 -7.365 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -1.490 -4.195 -6.286 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -1.616 -3.453 -7.869 1.00 0.00 H new ATOM 0 HG2 GLU A 80 0.696 -4.600 -8.327 1.00 0.00 H new ATOM 0 HG3 GLU A 80 0.298 -5.592 -6.938 1.00 0.00 H new ATOM 1203 N ARG A 81 -1.480 -1.129 -5.506 1.00 0.00 N ATOM 1204 CA ARG A 81 -2.285 0.074 -5.347 1.00 0.00 C ATOM 1205 C ARG A 81 -1.412 1.325 -5.401 1.00 0.00 C ATOM 1206 O ARG A 81 -1.817 2.355 -5.938 1.00 0.00 O ATOM 1207 CB ARG A 81 -3.050 0.031 -4.022 1.00 0.00 C ATOM 1208 CG ARG A 81 -4.366 0.791 -4.054 1.00 0.00 C ATOM 1209 CD ARG A 81 -5.439 0.016 -4.802 1.00 0.00 C ATOM 1210 NE ARG A 81 -6.712 0.731 -4.829 1.00 0.00 N ATOM 1211 CZ ARG A 81 -7.830 0.224 -5.339 1.00 0.00 C ATOM 1212 NH1 ARG A 81 -7.831 -0.995 -5.860 1.00 0.00 N ATOM 1213 NH2 ARG A 81 -8.949 0.937 -5.328 1.00 0.00 N ATOM 0 H ARG A 81 -1.474 -1.743 -4.692 1.00 0.00 H new ATOM 0 HA ARG A 81 -2.998 0.114 -6.170 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -3.247 -1.008 -3.759 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.420 0.445 -3.235 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -4.700 0.985 -3.035 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -4.216 1.760 -4.531 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -5.106 -0.170 -5.823 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -5.579 -0.956 -4.330 1.00 0.00 H new ATOM 0 HE ARG A 81 -6.745 1.671 -4.435 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -6.973 -1.546 -5.870 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -8.690 -1.382 -6.251 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -8.952 1.875 -4.928 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -9.806 0.547 -5.720 1.00 0.00 H new ATOM 1227 N VAL A 82 -0.211 1.226 -4.840 1.00 0.00 N ATOM 1228 CA VAL A 82 0.721 2.347 -4.825 1.00 0.00 C ATOM 1229 C VAL A 82 1.337 2.568 -6.202 1.00 0.00 C ATOM 1230 O VAL A 82 1.498 3.705 -6.646 1.00 0.00 O ATOM 1231 CB VAL A 82 1.850 2.125 -3.800 1.00 0.00 C ATOM 1232 CG1 VAL A 82 2.843 3.277 -3.843 1.00 0.00 C ATOM 1233 CG2 VAL A 82 1.273 1.959 -2.402 1.00 0.00 C ATOM 0 H VAL A 82 0.139 0.380 -4.390 1.00 0.00 H new ATOM 0 HA VAL A 82 0.149 3.230 -4.540 1.00 0.00 H new ATOM 0 HB VAL A 82 2.381 1.209 -4.061 1.00 0.00 H new ATOM 0 HG11 VAL A 82 3.633 3.104 -3.113 1.00 0.00 H new ATOM 0 HG12 VAL A 82 3.279 3.345 -4.840 1.00 0.00 H new ATOM 0 HG13 VAL A 82 2.329 4.209 -3.607 1.00 0.00 H new ATOM 0 HG21 VAL A 82 2.083 1.803 -1.690 1.00 0.00 H new ATOM 0 HG22 VAL A 82 0.718 2.856 -2.129 1.00 0.00 H new ATOM 0 HG23 VAL A 82 0.604 1.099 -2.384 1.00 0.00 H new ATOM 1243 N LYS A 83 1.678 1.475 -6.874 1.00 0.00 N ATOM 1244 CA LYS A 83 2.274 1.547 -8.203 1.00 0.00 C ATOM 1245 C LYS A 83 1.268 2.068 -9.224 1.00 0.00 C ATOM 1246 O LYS A 83 1.646 2.656 -10.236 1.00 0.00 O ATOM 1247 CB LYS A 83 2.785 0.169 -8.632 1.00 0.00 C ATOM 1248 CG LYS A 83 4.066 -0.249 -7.931 1.00 0.00 C ATOM 1249 CD LYS A 83 4.442 -1.683 -8.266 1.00 0.00 C ATOM 1250 CE LYS A 83 5.471 -2.232 -7.290 1.00 0.00 C ATOM 1251 NZ LYS A 83 6.116 -3.472 -7.803 1.00 0.00 N ATOM 0 H LYS A 83 1.552 0.527 -6.520 1.00 0.00 H new ATOM 0 HA LYS A 83 3.113 2.241 -8.159 1.00 0.00 H new ATOM 0 HB2 LYS A 83 2.013 -0.574 -8.433 1.00 0.00 H new ATOM 0 HB3 LYS A 83 2.954 0.172 -9.709 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.877 0.419 -8.224 1.00 0.00 H new ATOM 0 HG3 LYS A 83 3.942 -0.147 -6.853 1.00 0.00 H new ATOM 0 HD2 LYS A 83 3.550 -2.308 -8.245 1.00 0.00 H new ATOM 0 HD3 LYS A 83 4.840 -1.729 -9.280 1.00 0.00 H new ATOM 0 HE2 LYS A 83 6.234 -1.476 -7.104 1.00 0.00 H new ATOM 0 HE3 LYS A 83 4.990 -2.442 -6.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 6.811 -3.815 -7.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 5.391 -4.202 -7.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.597 -3.267 -8.702 1.00 0.00 H new ATOM 1265 N GLU A 84 -0.014 1.849 -8.950 1.00 0.00 N ATOM 1266 CA GLU A 84 -1.074 2.297 -9.844 1.00 0.00 C ATOM 1267 C GLU A 84 -1.588 3.674 -9.433 1.00 0.00 C ATOM 1268 O GLU A 84 -1.993 4.475 -10.276 1.00 0.00 O ATOM 1269 CB GLU A 84 -2.227 1.291 -9.850 1.00 0.00 C ATOM 1270 CG GLU A 84 -2.087 0.209 -10.909 1.00 0.00 C ATOM 1271 CD GLU A 84 -2.515 0.681 -12.285 1.00 0.00 C ATOM 1272 OE1 GLU A 84 -3.382 1.575 -12.363 1.00 0.00 O ATOM 1273 OE2 GLU A 84 -1.980 0.156 -13.283 1.00 0.00 O ATOM 0 H GLU A 84 -0.343 1.364 -8.115 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.659 2.369 -10.849 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -2.293 0.821 -8.869 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -3.163 1.825 -10.011 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -1.050 -0.123 -10.949 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -2.687 -0.655 -10.622 1.00 0.00 H new ATOM 1280 N LEU A 85 -1.568 3.942 -8.132 1.00 0.00 N ATOM 1281 CA LEU A 85 -2.032 5.221 -7.607 1.00 0.00 C ATOM 1282 C LEU A 85 -1.073 6.345 -7.985 1.00 0.00 C ATOM 1283 O LEU A 85 -1.477 7.345 -8.577 1.00 0.00 O ATOM 1284 CB LEU A 85 -2.175 5.148 -6.086 1.00 0.00 C ATOM 1285 CG LEU A 85 -3.493 4.576 -5.563 1.00 0.00 C ATOM 1286 CD1 LEU A 85 -3.362 4.188 -4.098 1.00 0.00 C ATOM 1287 CD2 LEU A 85 -4.622 5.579 -5.752 1.00 0.00 C ATOM 0 H LEU A 85 -1.235 3.290 -7.421 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.006 5.435 -8.048 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.358 4.543 -5.693 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -2.052 6.152 -5.681 1.00 0.00 H new ATOM 0 HG LEU A 85 -3.731 3.679 -6.136 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -4.310 3.783 -3.743 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.582 3.435 -3.990 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -3.101 5.068 -3.510 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -5.552 5.155 -5.374 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -4.392 6.493 -5.205 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -4.732 5.808 -6.812 1.00 0.00 H new