USER MOD reduce.3.24.130724 H: found=0, std=0, add=425, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 424 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 36 ASN : amide:sc= -0.727 K(o=-0.75,f=-16!) USER MOD Set 1.2: A 39 THR OG1 : rot 180:sc= -0.027 USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 THR OG1 : rot -104:sc= -3.11! USER MOD Single : A 23 CYS SG : rot 47:sc= -0.992 USER MOD Single : A 27 THR OG1 : rot -44:sc= -0.075 USER MOD Single : A 35 TYR OH : rot 180:sc= -0.206 USER MOD Single : A 38 THR OG1 : rot -160:sc= 0 USER MOD Single : A 42 SER OG : rot 180:sc=-7.46e-05 USER MOD Single : A 43 MET CE :methyl -161:sc= -1.66 (180deg=-3.54!) USER MOD Single : A 58 LYS NZ :NH3+ 163:sc= 0 (180deg=-0.38) USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 65 HIS : no HD1:sc= -3.11! C(o=-3.1!,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 120 N PRO A 11 -5.643 -10.198 -6.322 1.00 0.00 N ATOM 121 CA PRO A 11 -6.797 -9.832 -5.496 1.00 0.00 C ATOM 122 C PRO A 11 -7.954 -10.814 -5.648 1.00 0.00 C ATOM 123 O PRO A 11 -8.055 -11.520 -6.651 1.00 0.00 O ATOM 124 CB PRO A 11 -7.193 -8.453 -6.030 1.00 0.00 C ATOM 125 CG PRO A 11 -6.694 -8.434 -7.434 1.00 0.00 C ATOM 126 CD PRO A 11 -5.439 -9.261 -7.439 1.00 0.00 C ATOM 0 HA PRO A 11 -6.556 -9.840 -4.433 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -8.273 -8.308 -5.991 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -6.743 -7.655 -5.439 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -7.436 -8.847 -8.117 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -6.491 -7.415 -7.762 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.308 -9.786 -8.385 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -4.552 -8.646 -7.290 1.00 0.00 H new ATOM 134 N VAL A 12 -8.826 -10.854 -4.645 1.00 0.00 N ATOM 135 CA VAL A 12 -9.977 -11.748 -4.668 1.00 0.00 C ATOM 136 C VAL A 12 -11.267 -10.977 -4.921 1.00 0.00 C ATOM 137 O VAL A 12 -12.190 -11.482 -5.560 1.00 0.00 O ATOM 138 CB VAL A 12 -10.108 -12.529 -3.347 1.00 0.00 C ATOM 139 CG1 VAL A 12 -8.951 -13.502 -3.184 1.00 0.00 C ATOM 140 CG2 VAL A 12 -10.180 -11.570 -2.168 1.00 0.00 C ATOM 0 H VAL A 12 -8.757 -10.277 -3.806 1.00 0.00 H new ATOM 0 HA VAL A 12 -9.814 -12.453 -5.483 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.033 -13.105 -3.375 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -9.061 -14.044 -2.245 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -8.951 -14.209 -4.014 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -8.011 -12.951 -3.176 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -10.272 -12.138 -1.242 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -9.273 -10.966 -2.134 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -11.046 -10.918 -2.282 1.00 0.00 H new ATOM 150 N ALA A 13 -11.325 -9.749 -4.414 1.00 0.00 N ATOM 151 CA ALA A 13 -12.502 -8.907 -4.587 1.00 0.00 C ATOM 152 C ALA A 13 -12.119 -7.431 -4.628 1.00 0.00 C ATOM 153 O ALA A 13 -11.145 -7.013 -4.000 1.00 0.00 O ATOM 154 CB ALA A 13 -13.503 -9.163 -3.470 1.00 0.00 C ATOM 0 H ALA A 13 -10.571 -9.316 -3.881 1.00 0.00 H new ATOM 0 HA ALA A 13 -12.965 -9.163 -5.540 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.377 -8.527 -3.612 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -13.808 -10.209 -3.488 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -13.042 -8.936 -2.509 1.00 0.00 H new ATOM 160 N THR A 14 -12.890 -6.645 -5.372 1.00 0.00 N ATOM 161 CA THR A 14 -12.631 -5.216 -5.497 1.00 0.00 C ATOM 162 C THR A 14 -13.929 -4.418 -5.482 1.00 0.00 C ATOM 163 O THR A 14 -14.861 -4.715 -6.229 1.00 0.00 O ATOM 164 CB THR A 14 -11.860 -4.896 -6.792 1.00 0.00 C ATOM 165 OG1 THR A 14 -10.709 -5.742 -6.899 1.00 0.00 O ATOM 166 CG2 THR A 14 -11.427 -3.438 -6.818 1.00 0.00 C ATOM 0 H THR A 14 -13.700 -6.974 -5.898 1.00 0.00 H new ATOM 0 HA THR A 14 -12.022 -4.929 -4.640 1.00 0.00 H new ATOM 0 HB THR A 14 -12.524 -5.077 -7.637 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.225 -5.533 -7.725 1.00 0.00 H new ATOM 0 HG21 THR A 14 -10.885 -3.236 -7.742 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.307 -2.796 -6.766 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.779 -3.236 -5.965 1.00 0.00 H new ATOM 174 N ALA A 15 -13.984 -3.402 -4.627 1.00 0.00 N ATOM 175 CA ALA A 15 -15.168 -2.559 -4.517 1.00 0.00 C ATOM 176 C ALA A 15 -14.795 -1.081 -4.549 1.00 0.00 C ATOM 177 O ALA A 15 -13.990 -0.602 -3.750 1.00 0.00 O ATOM 178 CB ALA A 15 -15.931 -2.885 -3.242 1.00 0.00 C ATOM 0 H ALA A 15 -13.222 -3.143 -4.000 1.00 0.00 H new ATOM 0 HA ALA A 15 -15.810 -2.763 -5.374 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -16.813 -2.248 -3.173 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -16.239 -3.930 -3.260 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -15.289 -2.710 -2.379 1.00 0.00 H new ATOM 184 N PRO A 16 -15.391 -0.340 -5.494 1.00 0.00 N ATOM 185 CA PRO A 16 -15.136 1.095 -5.653 1.00 0.00 C ATOM 186 C PRO A 16 -15.713 1.917 -4.506 1.00 0.00 C ATOM 187 O PRO A 16 -16.899 1.813 -4.191 1.00 0.00 O ATOM 188 CB PRO A 16 -15.844 1.438 -6.966 1.00 0.00 C ATOM 189 CG PRO A 16 -16.913 0.409 -7.100 1.00 0.00 C ATOM 190 CD PRO A 16 -16.361 -0.845 -6.481 1.00 0.00 C ATOM 0 HA PRO A 16 -14.070 1.321 -5.656 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -16.264 2.444 -6.938 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -15.154 1.404 -7.809 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -17.825 0.725 -6.593 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -17.170 0.247 -8.147 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -17.144 -1.438 -6.008 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -15.883 -1.483 -7.224 1.00 0.00 H new ATOM 198 N ILE A 17 -14.869 2.734 -3.886 1.00 0.00 N ATOM 199 CA ILE A 17 -15.297 3.575 -2.775 1.00 0.00 C ATOM 200 C ILE A 17 -16.135 4.750 -3.266 1.00 0.00 C ATOM 201 O ILE A 17 -15.827 5.386 -4.274 1.00 0.00 O ATOM 202 CB ILE A 17 -14.092 4.114 -1.981 1.00 0.00 C ATOM 203 CG1 ILE A 17 -13.283 2.957 -1.391 1.00 0.00 C ATOM 204 CG2 ILE A 17 -14.562 5.055 -0.881 1.00 0.00 C ATOM 205 CD1 ILE A 17 -12.385 3.370 -0.246 1.00 0.00 C ATOM 0 H ILE A 17 -13.884 2.832 -4.134 1.00 0.00 H new ATOM 0 HA ILE A 17 -15.903 2.949 -2.120 1.00 0.00 H new ATOM 0 HB ILE A 17 -13.448 4.673 -2.660 1.00 0.00 H new ATOM 0 HG12 ILE A 17 -13.969 2.185 -1.044 1.00 0.00 H new ATOM 0 HG13 ILE A 17 -12.674 2.512 -2.178 1.00 0.00 H new ATOM 0 HG21 ILE A 17 -13.700 5.428 -0.328 1.00 0.00 H new ATOM 0 HG22 ILE A 17 -15.099 5.893 -1.324 1.00 0.00 H new ATOM 0 HG23 ILE A 17 -15.224 4.518 -0.201 1.00 0.00 H new ATOM 0 HD11 ILE A 17 -11.842 2.500 0.123 1.00 0.00 H new ATOM 0 HD12 ILE A 17 -11.675 4.120 -0.593 1.00 0.00 H new ATOM 0 HD13 ILE A 17 -12.990 3.788 0.559 1.00 0.00 H new ATOM 217 N PRO A 18 -17.221 5.048 -2.537 1.00 0.00 N ATOM 218 CA PRO A 18 -18.125 6.150 -2.878 1.00 0.00 C ATOM 219 C PRO A 18 -17.483 7.516 -2.659 1.00 0.00 C ATOM 220 O PRO A 18 -16.873 7.767 -1.620 1.00 0.00 O ATOM 221 CB PRO A 18 -19.302 5.953 -1.919 1.00 0.00 C ATOM 222 CG PRO A 18 -18.726 5.216 -0.759 1.00 0.00 C ATOM 223 CD PRO A 18 -17.649 4.332 -1.323 1.00 0.00 C ATOM 0 HA PRO A 18 -18.407 6.134 -3.931 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -19.725 6.909 -1.610 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -20.105 5.386 -2.389 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -18.317 5.907 -0.022 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -19.490 4.626 -0.253 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -16.825 4.204 -0.621 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -18.027 3.337 -1.556 1.00 0.00 H new ATOM 231 N GLY A 19 -17.623 8.396 -3.645 1.00 0.00 N ATOM 232 CA GLY A 19 -17.052 9.726 -3.540 1.00 0.00 C ATOM 233 C GLY A 19 -15.620 9.783 -4.037 1.00 0.00 C ATOM 234 O GLY A 19 -15.273 10.631 -4.859 1.00 0.00 O ATOM 0 H GLY A 19 -18.122 8.212 -4.515 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -17.660 10.426 -4.113 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -17.086 10.052 -2.500 1.00 0.00 H new ATOM 238 N THR A 20 -14.785 8.878 -3.535 1.00 0.00 N ATOM 239 CA THR A 20 -13.383 8.829 -3.931 1.00 0.00 C ATOM 240 C THR A 20 -13.154 7.786 -5.018 1.00 0.00 C ATOM 241 O THR A 20 -13.805 6.742 -5.057 1.00 0.00 O ATOM 242 CB THR A 20 -12.472 8.512 -2.730 1.00 0.00 C ATOM 243 OG1 THR A 20 -12.292 7.097 -2.612 1.00 0.00 O ATOM 244 CG2 THR A 20 -13.063 9.063 -1.441 1.00 0.00 C ATOM 0 H THR A 20 -15.056 8.169 -2.853 1.00 0.00 H new ATOM 0 HA THR A 20 -13.130 9.815 -4.320 1.00 0.00 H new ATOM 0 HB THR A 20 -11.506 8.988 -2.900 1.00 0.00 H new ATOM 0 HG1 THR A 20 -12.838 6.758 -1.872 1.00 0.00 H new ATOM 0 HG21 THR A 20 -12.402 8.827 -0.607 1.00 0.00 H new ATOM 0 HG22 THR A 20 -13.171 10.145 -1.523 1.00 0.00 H new ATOM 0 HG23 THR A 20 -14.041 8.613 -1.268 1.00 0.00 H new ATOM 252 N PRO A 21 -12.207 8.072 -5.923 1.00 0.00 N ATOM 253 CA PRO A 21 -11.869 7.169 -7.027 1.00 0.00 C ATOM 254 C PRO A 21 -11.167 5.903 -6.548 1.00 0.00 C ATOM 255 O PRO A 21 -10.866 5.011 -7.340 1.00 0.00 O ATOM 256 CB PRO A 21 -10.926 8.007 -7.895 1.00 0.00 C ATOM 257 CG PRO A 21 -10.327 8.997 -6.957 1.00 0.00 C ATOM 258 CD PRO A 21 -11.391 9.298 -5.938 1.00 0.00 C ATOM 0 HA PRO A 21 -12.757 6.819 -7.553 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -10.159 7.387 -8.359 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -11.466 8.503 -8.702 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -9.434 8.593 -6.481 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -10.025 9.902 -7.485 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -10.961 9.507 -4.958 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -11.981 10.170 -6.219 1.00 0.00 H new ATOM 266 N TRP A 22 -10.910 5.832 -5.247 1.00 0.00 N ATOM 267 CA TRP A 22 -10.243 4.674 -4.661 1.00 0.00 C ATOM 268 C TRP A 22 -11.162 3.458 -4.664 1.00 0.00 C ATOM 269 O TRP A 22 -12.383 3.591 -4.572 1.00 0.00 O ATOM 270 CB TRP A 22 -9.794 4.987 -3.233 1.00 0.00 C ATOM 271 CG TRP A 22 -8.620 5.917 -3.170 1.00 0.00 C ATOM 272 CD1 TRP A 22 -8.657 7.278 -3.065 1.00 0.00 C ATOM 273 CD2 TRP A 22 -7.236 5.553 -3.209 1.00 0.00 C ATOM 274 NE1 TRP A 22 -7.379 7.782 -3.037 1.00 0.00 N ATOM 275 CE2 TRP A 22 -6.489 6.745 -3.123 1.00 0.00 C ATOM 276 CE3 TRP A 22 -6.554 4.337 -3.308 1.00 0.00 C ATOM 277 CZ2 TRP A 22 -5.097 6.753 -3.133 1.00 0.00 C ATOM 278 CZ3 TRP A 22 -5.172 4.347 -3.318 1.00 0.00 C ATOM 279 CH2 TRP A 22 -4.455 5.548 -3.230 1.00 0.00 C ATOM 0 H TRP A 22 -11.153 6.562 -4.578 1.00 0.00 H new ATOM 0 HA TRP A 22 -9.367 4.445 -5.267 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -10.627 5.428 -2.686 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -9.538 4.056 -2.728 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -9.558 7.871 -3.012 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -7.133 8.769 -2.964 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -7.097 3.406 -3.375 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -4.543 7.678 -3.067 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -4.635 3.413 -3.395 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -3.375 5.522 -3.239 1.00 0.00 H new ATOM 290 N CYS A 23 -10.570 2.274 -4.768 1.00 0.00 N ATOM 291 CA CYS A 23 -11.337 1.034 -4.783 1.00 0.00 C ATOM 292 C CYS A 23 -10.732 0.009 -3.829 1.00 0.00 C ATOM 293 O CYS A 23 -9.611 -0.458 -4.032 1.00 0.00 O ATOM 294 CB CYS A 23 -11.391 0.460 -6.199 1.00 0.00 C ATOM 295 SG CYS A 23 -12.107 1.581 -7.423 1.00 0.00 S ATOM 0 H CYS A 23 -9.561 2.146 -4.843 1.00 0.00 H new ATOM 0 HA CYS A 23 -12.351 1.259 -4.451 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -10.381 0.196 -6.511 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -11.971 -0.463 -6.184 1.00 0.00 H new ATOM 0 HG CYS A 23 -11.585 2.764 -7.286 1.00 0.00 H new ATOM 301 N VAL A 24 -11.481 -0.336 -2.786 1.00 0.00 N ATOM 302 CA VAL A 24 -11.018 -1.305 -1.799 1.00 0.00 C ATOM 303 C VAL A 24 -10.827 -2.680 -2.428 1.00 0.00 C ATOM 304 O VAL A 24 -11.778 -3.288 -2.920 1.00 0.00 O ATOM 305 CB VAL A 24 -12.006 -1.422 -0.623 1.00 0.00 C ATOM 306 CG1 VAL A 24 -11.463 -2.369 0.437 1.00 0.00 C ATOM 307 CG2 VAL A 24 -12.292 -0.052 -0.029 1.00 0.00 C ATOM 0 H VAL A 24 -12.411 0.041 -2.603 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.060 -0.944 -1.424 1.00 0.00 H new ATOM 0 HB VAL A 24 -12.944 -1.832 -0.998 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -12.174 -2.440 1.260 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.314 -3.357 0.001 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -10.512 -1.990 0.811 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -12.992 -0.154 0.800 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -11.363 0.389 0.332 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -12.727 0.592 -0.793 1.00 0.00 H new ATOM 317 N VAL A 25 -9.590 -3.167 -2.408 1.00 0.00 N ATOM 318 CA VAL A 25 -9.274 -4.473 -2.975 1.00 0.00 C ATOM 319 C VAL A 25 -8.813 -5.444 -1.894 1.00 0.00 C ATOM 320 O VAL A 25 -8.036 -5.082 -1.010 1.00 0.00 O ATOM 321 CB VAL A 25 -8.179 -4.366 -4.053 1.00 0.00 C ATOM 322 CG1 VAL A 25 -7.919 -5.724 -4.686 1.00 0.00 C ATOM 323 CG2 VAL A 25 -8.570 -3.343 -5.109 1.00 0.00 C ATOM 0 H VAL A 25 -8.791 -2.677 -2.006 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.189 -4.850 -3.432 1.00 0.00 H new ATOM 0 HB VAL A 25 -7.257 -4.030 -3.578 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -7.143 -5.629 -5.445 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -7.593 -6.426 -3.919 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -8.835 -6.091 -5.148 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -7.785 -3.280 -5.863 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.504 -3.647 -5.582 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -8.701 -2.368 -4.640 1.00 0.00 H new ATOM 333 N TRP A 26 -9.297 -6.678 -1.970 1.00 0.00 N ATOM 334 CA TRP A 26 -8.935 -7.703 -0.998 1.00 0.00 C ATOM 335 C TRP A 26 -8.054 -8.772 -1.635 1.00 0.00 C ATOM 336 O TRP A 26 -7.979 -8.880 -2.860 1.00 0.00 O ATOM 337 CB TRP A 26 -10.193 -8.345 -0.410 1.00 0.00 C ATOM 338 CG TRP A 26 -10.967 -7.424 0.484 1.00 0.00 C ATOM 339 CD1 TRP A 26 -10.880 -7.336 1.844 1.00 0.00 C ATOM 340 CD2 TRP A 26 -11.949 -6.463 0.080 1.00 0.00 C ATOM 341 NE1 TRP A 26 -11.748 -6.378 2.310 1.00 0.00 N ATOM 342 CE2 TRP A 26 -12.414 -5.827 1.247 1.00 0.00 C ATOM 343 CE3 TRP A 26 -12.478 -6.076 -1.154 1.00 0.00 C ATOM 344 CZ2 TRP A 26 -13.384 -4.828 1.214 1.00 0.00 C ATOM 345 CZ3 TRP A 26 -13.440 -5.085 -1.185 1.00 0.00 C ATOM 346 CH2 TRP A 26 -13.884 -4.469 -0.008 1.00 0.00 C ATOM 0 H TRP A 26 -9.941 -6.993 -2.695 1.00 0.00 H new ATOM 0 HA TRP A 26 -8.371 -7.225 -0.197 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -10.838 -8.676 -1.224 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -9.909 -9.234 0.154 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -10.225 -7.932 2.463 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -11.876 -6.119 3.288 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -12.141 -6.543 -2.067 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -13.729 -4.354 2.121 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -13.857 -4.780 -2.133 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -14.636 -3.696 -0.066 1.00 0.00 H new ATOM 357 N THR A 27 -7.388 -9.561 -0.798 1.00 0.00 N ATOM 358 CA THR A 27 -6.512 -10.621 -1.281 1.00 0.00 C ATOM 359 C THR A 27 -6.815 -11.944 -0.587 1.00 0.00 C ATOM 360 O THR A 27 -7.761 -12.044 0.193 1.00 0.00 O ATOM 361 CB THR A 27 -5.029 -10.267 -1.061 1.00 0.00 C ATOM 362 OG1 THR A 27 -4.800 -9.948 0.316 1.00 0.00 O ATOM 363 CG2 THR A 27 -4.617 -9.092 -1.934 1.00 0.00 C ATOM 0 H THR A 27 -7.439 -9.486 0.218 1.00 0.00 H new ATOM 0 HA THR A 27 -6.699 -10.724 -2.350 1.00 0.00 H new ATOM 0 HB THR A 27 -4.428 -11.133 -1.338 1.00 0.00 H new ATOM 0 HG1 THR A 27 -5.522 -9.372 0.643 1.00 0.00 H new ATOM 0 HG21 THR A 27 -3.566 -8.861 -1.761 1.00 0.00 H new ATOM 0 HG22 THR A 27 -4.764 -9.349 -2.983 1.00 0.00 H new ATOM 0 HG23 THR A 27 -5.225 -8.223 -1.685 1.00 0.00 H new ATOM 371 N GLY A 28 -6.006 -12.958 -0.877 1.00 0.00 N ATOM 372 CA GLY A 28 -6.205 -14.262 -0.271 1.00 0.00 C ATOM 373 C GLY A 28 -5.579 -14.363 1.106 1.00 0.00 C ATOM 374 O GLY A 28 -5.917 -15.255 1.885 1.00 0.00 O ATOM 0 H GLY A 28 -5.217 -12.900 -1.520 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -7.273 -14.466 -0.197 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -5.778 -15.029 -0.918 1.00 0.00 H new ATOM 378 N ASP A 29 -4.662 -13.450 1.406 1.00 0.00 N ATOM 379 CA ASP A 29 -3.986 -13.441 2.698 1.00 0.00 C ATOM 380 C ASP A 29 -4.748 -12.583 3.703 1.00 0.00 C ATOM 381 O ASP A 29 -4.150 -11.822 4.463 1.00 0.00 O ATOM 382 CB ASP A 29 -2.556 -12.921 2.546 1.00 0.00 C ATOM 383 CG ASP A 29 -1.616 -13.499 3.586 1.00 0.00 C ATOM 384 OD1 ASP A 29 -1.796 -14.677 3.958 1.00 0.00 O ATOM 385 OD2 ASP A 29 -0.701 -12.773 4.028 1.00 0.00 O ATOM 0 H ASP A 29 -4.370 -12.706 0.772 1.00 0.00 H new ATOM 0 HA ASP A 29 -3.954 -14.465 3.071 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -2.187 -13.167 1.550 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -2.557 -11.834 2.626 1.00 0.00 H new ATOM 390 N GLU A 30 -6.071 -12.711 3.701 1.00 0.00 N ATOM 391 CA GLU A 30 -6.914 -11.946 4.612 1.00 0.00 C ATOM 392 C GLU A 30 -6.434 -10.501 4.712 1.00 0.00 C ATOM 393 O GLU A 30 -6.425 -9.913 5.794 1.00 0.00 O ATOM 394 CB GLU A 30 -6.920 -12.590 5.999 1.00 0.00 C ATOM 395 CG GLU A 30 -7.800 -13.825 6.093 1.00 0.00 C ATOM 396 CD GLU A 30 -9.232 -13.494 6.467 1.00 0.00 C ATOM 397 OE1 GLU A 30 -9.458 -13.055 7.614 1.00 0.00 O ATOM 398 OE2 GLU A 30 -10.126 -13.675 5.614 1.00 0.00 O ATOM 0 H GLU A 30 -6.582 -13.337 3.079 1.00 0.00 H new ATOM 0 HA GLU A 30 -7.929 -11.947 4.215 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -5.899 -12.860 6.269 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -7.259 -11.856 6.730 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -7.790 -14.347 5.136 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -7.384 -14.508 6.834 1.00 0.00 H new ATOM 405 N ARG A 31 -6.036 -9.935 3.577 1.00 0.00 N ATOM 406 CA ARG A 31 -5.554 -8.560 3.537 1.00 0.00 C ATOM 407 C ARG A 31 -6.351 -7.733 2.533 1.00 0.00 C ATOM 408 O ARG A 31 -7.057 -8.279 1.685 1.00 0.00 O ATOM 409 CB ARG A 31 -4.068 -8.529 3.174 1.00 0.00 C ATOM 410 CG ARG A 31 -3.145 -8.595 4.380 1.00 0.00 C ATOM 411 CD ARG A 31 -2.838 -7.208 4.922 1.00 0.00 C ATOM 412 NE ARG A 31 -2.562 -7.230 6.356 1.00 0.00 N ATOM 413 CZ ARG A 31 -1.939 -6.249 7.000 1.00 0.00 C ATOM 414 NH1 ARG A 31 -1.531 -5.174 6.341 1.00 0.00 N ATOM 415 NH2 ARG A 31 -1.725 -6.343 8.306 1.00 0.00 N ATOM 0 H ARG A 31 -6.038 -10.408 2.673 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.689 -8.125 4.527 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.847 -9.366 2.512 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.858 -7.617 2.616 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.608 -9.198 5.161 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.216 -9.092 4.102 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.979 -6.794 4.394 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.682 -6.547 4.725 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.864 -8.043 6.893 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.695 -5.098 5.337 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -1.053 -4.422 6.838 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.039 -7.169 8.816 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -1.247 -5.590 8.800 1.00 0.00 H new ATOM 429 N VAL A 32 -6.233 -6.413 2.634 1.00 0.00 N ATOM 430 CA VAL A 32 -6.942 -5.510 1.735 1.00 0.00 C ATOM 431 C VAL A 32 -6.167 -4.213 1.536 1.00 0.00 C ATOM 432 O VAL A 32 -5.637 -3.641 2.488 1.00 0.00 O ATOM 433 CB VAL A 32 -8.348 -5.179 2.267 1.00 0.00 C ATOM 434 CG1 VAL A 32 -8.261 -4.532 3.641 1.00 0.00 C ATOM 435 CG2 VAL A 32 -9.088 -4.277 1.291 1.00 0.00 C ATOM 0 H VAL A 32 -5.653 -5.945 3.330 1.00 0.00 H new ATOM 0 HA VAL A 32 -7.036 -6.024 0.778 1.00 0.00 H new ATOM 0 HB VAL A 32 -8.908 -6.109 2.364 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -9.265 -4.305 4.001 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -7.773 -5.216 4.335 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -7.683 -3.610 3.573 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -10.080 -4.053 1.683 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -8.532 -3.349 1.160 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -9.183 -4.782 0.330 1.00 0.00 H new ATOM 445 N PHE A 33 -6.104 -3.753 0.290 1.00 0.00 N ATOM 446 CA PHE A 33 -5.393 -2.522 -0.035 1.00 0.00 C ATOM 447 C PHE A 33 -6.277 -1.583 -0.851 1.00 0.00 C ATOM 448 O PHE A 33 -7.355 -1.966 -1.306 1.00 0.00 O ATOM 449 CB PHE A 33 -4.113 -2.838 -0.811 1.00 0.00 C ATOM 450 CG PHE A 33 -4.360 -3.540 -2.115 1.00 0.00 C ATOM 451 CD1 PHE A 33 -4.720 -4.878 -2.140 1.00 0.00 C ATOM 452 CD2 PHE A 33 -4.231 -2.863 -3.317 1.00 0.00 C ATOM 453 CE1 PHE A 33 -4.949 -5.527 -3.339 1.00 0.00 C ATOM 454 CE2 PHE A 33 -4.459 -3.506 -4.519 1.00 0.00 C ATOM 455 CZ PHE A 33 -4.817 -4.840 -4.530 1.00 0.00 C ATOM 0 H PHE A 33 -6.537 -4.214 -0.510 1.00 0.00 H new ATOM 0 HA PHE A 33 -5.131 -2.025 0.899 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -3.576 -1.909 -1.004 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -3.465 -3.458 -0.191 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -4.823 -5.420 -1.212 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -3.949 -1.820 -3.315 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -5.231 -6.570 -3.344 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -4.357 -2.966 -5.449 1.00 0.00 H new ATOM 0 HZ PHE A 33 -4.993 -5.345 -5.468 1.00 0.00 H new ATOM 465 N PHE A 34 -5.813 -0.351 -1.032 1.00 0.00 N ATOM 466 CA PHE A 34 -6.560 0.644 -1.791 1.00 0.00 C ATOM 467 C PHE A 34 -5.936 0.861 -3.167 1.00 0.00 C ATOM 468 O PHE A 34 -4.737 1.117 -3.283 1.00 0.00 O ATOM 469 CB PHE A 34 -6.609 1.969 -1.027 1.00 0.00 C ATOM 470 CG PHE A 34 -6.951 1.809 0.427 1.00 0.00 C ATOM 471 CD1 PHE A 34 -6.013 1.320 1.323 1.00 0.00 C ATOM 472 CD2 PHE A 34 -8.208 2.150 0.899 1.00 0.00 C ATOM 473 CE1 PHE A 34 -6.325 1.171 2.661 1.00 0.00 C ATOM 474 CE2 PHE A 34 -8.525 2.004 2.236 1.00 0.00 C ATOM 475 CZ PHE A 34 -7.582 1.515 3.119 1.00 0.00 C ATOM 0 H PHE A 34 -4.922 -0.018 -0.663 1.00 0.00 H new ATOM 0 HA PHE A 34 -7.576 0.272 -1.926 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -5.642 2.465 -1.112 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -7.345 2.623 -1.496 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -5.027 1.053 0.971 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -8.949 2.535 0.214 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -5.586 0.786 3.348 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -9.509 2.272 2.590 1.00 0.00 H new ATOM 0 HZ PHE A 34 -7.827 1.402 4.165 1.00 0.00 H new ATOM 485 N TYR A 35 -6.757 0.755 -4.205 1.00 0.00 N ATOM 486 CA TYR A 35 -6.286 0.936 -5.573 1.00 0.00 C ATOM 487 C TYR A 35 -7.001 2.105 -6.245 1.00 0.00 C ATOM 488 O TYR A 35 -8.197 2.313 -6.045 1.00 0.00 O ATOM 489 CB TYR A 35 -6.504 -0.343 -6.383 1.00 0.00 C ATOM 490 CG TYR A 35 -6.385 -0.142 -7.877 1.00 0.00 C ATOM 491 CD1 TYR A 35 -5.171 0.207 -8.455 1.00 0.00 C ATOM 492 CD2 TYR A 35 -7.486 -0.300 -8.710 1.00 0.00 C ATOM 493 CE1 TYR A 35 -5.057 0.393 -9.820 1.00 0.00 C ATOM 494 CE2 TYR A 35 -7.381 -0.117 -10.075 1.00 0.00 C ATOM 495 CZ TYR A 35 -6.165 0.229 -10.625 1.00 0.00 C ATOM 496 OH TYR A 35 -6.056 0.413 -11.985 1.00 0.00 O ATOM 0 H TYR A 35 -7.752 0.545 -4.126 1.00 0.00 H new ATOM 0 HA TYR A 35 -5.219 1.158 -5.537 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -5.778 -1.091 -6.067 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -7.493 -0.742 -6.156 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -4.302 0.335 -7.827 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -8.440 -0.571 -8.283 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -4.106 0.665 -10.254 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -8.247 -0.244 -10.708 1.00 0.00 H new ATOM 0 HH TYR A 35 -6.927 0.258 -12.407 1.00 0.00 H new ATOM 506 N ASN A 36 -6.257 2.864 -7.044 1.00 0.00 N ATOM 507 CA ASN A 36 -6.818 4.012 -7.746 1.00 0.00 C ATOM 508 C ASN A 36 -6.709 3.832 -9.257 1.00 0.00 C ATOM 509 O ASN A 36 -5.666 4.079 -9.863 1.00 0.00 O ATOM 510 CB ASN A 36 -6.102 5.296 -7.321 1.00 0.00 C ATOM 511 CG ASN A 36 -6.813 6.543 -7.810 1.00 0.00 C ATOM 512 OD1 ASN A 36 -6.999 6.735 -9.012 1.00 0.00 O ATOM 513 ND2 ASN A 36 -7.214 7.399 -6.878 1.00 0.00 N ATOM 0 H ASN A 36 -5.265 2.704 -7.221 1.00 0.00 H new ATOM 0 HA ASN A 36 -7.873 4.088 -7.482 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -6.029 5.325 -6.234 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -5.083 5.286 -7.709 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -7.697 8.256 -7.147 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -7.039 7.200 -5.893 1.00 0.00 H new ATOM 520 N PRO A 37 -7.811 3.391 -9.882 1.00 0.00 N ATOM 521 CA PRO A 37 -7.865 3.169 -11.330 1.00 0.00 C ATOM 522 C PRO A 37 -7.821 4.473 -12.119 1.00 0.00 C ATOM 523 O PRO A 37 -7.793 4.466 -13.350 1.00 0.00 O ATOM 524 CB PRO A 37 -9.210 2.467 -11.531 1.00 0.00 C ATOM 525 CG PRO A 37 -10.041 2.902 -10.374 1.00 0.00 C ATOM 526 CD PRO A 37 -9.089 3.076 -9.223 1.00 0.00 C ATOM 0 HA PRO A 37 -7.011 2.593 -11.686 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -9.668 2.753 -12.478 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -9.092 1.384 -11.549 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -10.560 3.834 -10.595 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -10.804 2.160 -10.141 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -9.406 3.878 -8.557 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -9.018 2.171 -8.620 1.00 0.00 H new ATOM 534 N THR A 38 -7.814 5.593 -11.402 1.00 0.00 N ATOM 535 CA THR A 38 -7.774 6.905 -12.035 1.00 0.00 C ATOM 536 C THR A 38 -6.344 7.425 -12.133 1.00 0.00 C ATOM 537 O THR A 38 -5.986 8.113 -13.089 1.00 0.00 O ATOM 538 CB THR A 38 -8.628 7.928 -11.262 1.00 0.00 C ATOM 539 OG1 THR A 38 -9.895 7.352 -10.924 1.00 0.00 O ATOM 540 CG2 THR A 38 -8.842 9.188 -12.087 1.00 0.00 C ATOM 0 H THR A 38 -7.836 5.617 -10.383 1.00 0.00 H new ATOM 0 HA THR A 38 -8.184 6.784 -13.038 1.00 0.00 H new ATOM 0 HB THR A 38 -8.096 8.197 -10.349 1.00 0.00 H new ATOM 0 HG1 THR A 38 -10.537 8.066 -10.729 1.00 0.00 H new ATOM 0 HG21 THR A 38 -9.448 9.895 -11.520 1.00 0.00 H new ATOM 0 HG22 THR A 38 -7.877 9.640 -12.318 1.00 0.00 H new ATOM 0 HG23 THR A 38 -9.355 8.933 -13.015 1.00 0.00 H new ATOM 548 N THR A 39 -5.528 7.091 -11.138 1.00 0.00 N ATOM 549 CA THR A 39 -4.137 7.525 -11.112 1.00 0.00 C ATOM 550 C THR A 39 -3.190 6.331 -11.072 1.00 0.00 C ATOM 551 O THR A 39 -2.021 6.466 -10.709 1.00 0.00 O ATOM 552 CB THR A 39 -3.854 8.431 -9.899 1.00 0.00 C ATOM 553 OG1 THR A 39 -4.027 7.693 -8.684 1.00 0.00 O ATOM 554 CG2 THR A 39 -4.776 9.640 -9.899 1.00 0.00 C ATOM 0 H THR A 39 -5.807 6.521 -10.339 1.00 0.00 H new ATOM 0 HA THR A 39 -3.965 8.092 -12.027 1.00 0.00 H new ATOM 0 HB THR A 39 -2.824 8.780 -9.968 1.00 0.00 H new ATOM 0 HG1 THR A 39 -3.844 8.276 -7.918 1.00 0.00 H new ATOM 0 HG21 THR A 39 -4.557 10.265 -9.033 1.00 0.00 H new ATOM 0 HG22 THR A 39 -4.620 10.216 -10.811 1.00 0.00 H new ATOM 0 HG23 THR A 39 -5.813 9.307 -9.853 1.00 0.00 H new ATOM 562 N ARG A 40 -3.701 5.163 -11.449 1.00 0.00 N ATOM 563 CA ARG A 40 -2.900 3.946 -11.456 1.00 0.00 C ATOM 564 C ARG A 40 -2.038 3.854 -10.199 1.00 0.00 C ATOM 565 O ARG A 40 -0.896 3.395 -10.248 1.00 0.00 O ATOM 566 CB ARG A 40 -2.011 3.901 -12.700 1.00 0.00 C ATOM 567 CG ARG A 40 -2.787 3.961 -14.005 1.00 0.00 C ATOM 568 CD ARG A 40 -2.046 3.252 -15.128 1.00 0.00 C ATOM 569 NE ARG A 40 -2.830 3.207 -16.359 1.00 0.00 N ATOM 570 CZ ARG A 40 -2.378 2.699 -17.500 1.00 0.00 C ATOM 571 NH1 ARG A 40 -1.153 2.196 -17.566 1.00 0.00 N ATOM 572 NH2 ARG A 40 -3.152 2.694 -18.578 1.00 0.00 N ATOM 0 H ARG A 40 -4.666 5.035 -11.753 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.580 3.095 -11.473 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -1.310 4.735 -12.665 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.419 2.986 -12.681 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.767 3.503 -13.868 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -2.957 5.002 -14.281 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -1.102 3.763 -15.318 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -1.802 2.236 -14.816 1.00 0.00 H new ATOM 0 HE ARG A 40 -3.777 3.586 -16.342 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -0.555 2.199 -16.739 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -0.808 1.806 -18.443 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -4.095 3.080 -18.531 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -2.804 2.304 -19.454 1.00 0.00 H new ATOM 586 N LEU A 41 -2.593 4.294 -9.075 1.00 0.00 N ATOM 587 CA LEU A 41 -1.876 4.263 -7.805 1.00 0.00 C ATOM 588 C LEU A 41 -2.366 3.112 -6.932 1.00 0.00 C ATOM 589 O LEU A 41 -3.569 2.913 -6.767 1.00 0.00 O ATOM 590 CB LEU A 41 -2.052 5.590 -7.065 1.00 0.00 C ATOM 591 CG LEU A 41 -0.994 5.914 -6.009 1.00 0.00 C ATOM 592 CD1 LEU A 41 -1.187 5.046 -4.776 1.00 0.00 C ATOM 593 CD2 LEU A 41 0.404 5.730 -6.581 1.00 0.00 C ATOM 0 H LEU A 41 -3.537 4.676 -9.017 1.00 0.00 H new ATOM 0 HA LEU A 41 -0.818 4.110 -8.017 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -2.061 6.395 -7.800 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -3.029 5.587 -6.583 1.00 0.00 H new ATOM 0 HG LEU A 41 -1.109 6.957 -5.714 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -0.425 5.291 -4.036 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.175 5.228 -4.354 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.099 3.995 -5.053 1.00 0.00 H new ATOM 0 HD21 LEU A 41 1.144 5.965 -5.816 1.00 0.00 H new ATOM 0 HD22 LEU A 41 0.532 4.697 -6.904 1.00 0.00 H new ATOM 0 HD23 LEU A 41 0.539 6.396 -7.433 1.00 0.00 H new ATOM 605 N SER A 42 -1.424 2.358 -6.373 1.00 0.00 N ATOM 606 CA SER A 42 -1.759 1.226 -5.517 1.00 0.00 C ATOM 607 C SER A 42 -0.878 1.206 -4.272 1.00 0.00 C ATOM 608 O SER A 42 0.311 0.898 -4.345 1.00 0.00 O ATOM 609 CB SER A 42 -1.602 -0.087 -6.288 1.00 0.00 C ATOM 610 OG SER A 42 -1.933 0.082 -7.655 1.00 0.00 O ATOM 0 H SER A 42 -0.423 2.511 -6.498 1.00 0.00 H new ATOM 0 HA SER A 42 -2.797 1.334 -5.204 1.00 0.00 H new ATOM 0 HB2 SER A 42 -0.576 -0.443 -6.200 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.243 -0.850 -5.847 1.00 0.00 H new ATOM 0 HG SER A 42 -1.823 -0.770 -8.126 1.00 0.00 H new ATOM 616 N MET A 43 -1.472 1.537 -3.130 1.00 0.00 N ATOM 617 CA MET A 43 -0.742 1.557 -1.868 1.00 0.00 C ATOM 618 C MET A 43 -1.122 0.361 -1.001 1.00 0.00 C ATOM 619 O MET A 43 -2.046 -0.385 -1.327 1.00 0.00 O ATOM 620 CB MET A 43 -1.022 2.858 -1.112 1.00 0.00 C ATOM 621 CG MET A 43 -0.971 4.095 -1.994 1.00 0.00 C ATOM 622 SD MET A 43 -0.445 5.567 -1.096 1.00 0.00 S ATOM 623 CE MET A 43 -1.285 5.329 0.468 1.00 0.00 C ATOM 0 H MET A 43 -2.456 1.795 -3.053 1.00 0.00 H new ATOM 0 HA MET A 43 0.323 1.497 -2.093 1.00 0.00 H new ATOM 0 HB2 MET A 43 -2.005 2.794 -0.646 1.00 0.00 H new ATOM 0 HB3 MET A 43 -0.295 2.965 -0.307 1.00 0.00 H new ATOM 0 HG2 MET A 43 -0.287 3.917 -2.824 1.00 0.00 H new ATOM 0 HG3 MET A 43 -1.957 4.270 -2.425 1.00 0.00 H new ATOM 0 HE1 MET A 43 -1.344 6.280 0.997 1.00 0.00 H new ATOM 0 HE2 MET A 43 -2.291 4.951 0.287 1.00 0.00 H new ATOM 0 HE3 MET A 43 -0.731 4.611 1.073 1.00 0.00 H new ATOM 633 N TRP A 44 -0.405 0.183 0.102 1.00 0.00 N ATOM 634 CA TRP A 44 -0.668 -0.923 1.015 1.00 0.00 C ATOM 635 C TRP A 44 -1.427 -0.444 2.247 1.00 0.00 C ATOM 636 O TRP A 44 -1.935 -1.250 3.027 1.00 0.00 O ATOM 637 CB TRP A 44 0.645 -1.587 1.436 1.00 0.00 C ATOM 638 CG TRP A 44 1.059 -2.709 0.532 1.00 0.00 C ATOM 639 CD1 TRP A 44 2.146 -2.736 -0.295 1.00 0.00 C ATOM 640 CD2 TRP A 44 0.393 -3.964 0.363 1.00 0.00 C ATOM 641 NE1 TRP A 44 2.195 -3.933 -0.968 1.00 0.00 N ATOM 642 CE2 TRP A 44 1.131 -4.704 -0.581 1.00 0.00 C ATOM 643 CE3 TRP A 44 -0.755 -4.536 0.918 1.00 0.00 C ATOM 644 CZ2 TRP A 44 0.757 -5.984 -0.981 1.00 0.00 C ATOM 645 CZ3 TRP A 44 -1.125 -5.807 0.520 1.00 0.00 C ATOM 646 CH2 TRP A 44 -0.371 -6.520 -0.421 1.00 0.00 C ATOM 0 H TRP A 44 0.363 0.791 0.386 1.00 0.00 H new ATOM 0 HA TRP A 44 -1.286 -1.653 0.492 1.00 0.00 H new ATOM 0 HB2 TRP A 44 1.434 -0.835 1.456 1.00 0.00 H new ATOM 0 HB3 TRP A 44 0.542 -1.968 2.452 1.00 0.00 H new ATOM 0 HD1 TRP A 44 2.862 -1.934 -0.404 1.00 0.00 H new ATOM 0 HE1 TRP A 44 2.908 -4.203 -1.646 1.00 0.00 H new ATOM 0 HE3 TRP A 44 -1.343 -3.995 1.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 44 1.336 -6.534 -1.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 44 -2.011 -6.258 0.942 1.00 0.00 H new ATOM 0 HH2 TRP A 44 -0.686 -7.512 -0.710 1.00 0.00 H new ATOM 657 N ASP A 45 -1.501 0.871 2.417 1.00 0.00 N ATOM 658 CA ASP A 45 -2.200 1.458 3.554 1.00 0.00 C ATOM 659 C ASP A 45 -3.271 2.439 3.087 1.00 0.00 C ATOM 660 O ASP A 45 -3.388 2.723 1.895 1.00 0.00 O ATOM 661 CB ASP A 45 -1.209 2.167 4.479 1.00 0.00 C ATOM 662 CG ASP A 45 -0.479 1.204 5.394 1.00 0.00 C ATOM 663 OD1 ASP A 45 -1.120 0.662 6.319 1.00 0.00 O ATOM 664 OD2 ASP A 45 0.734 0.991 5.184 1.00 0.00 O ATOM 0 H ASP A 45 -1.085 1.552 1.781 1.00 0.00 H new ATOM 0 HA ASP A 45 -2.686 0.653 4.105 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -0.482 2.713 3.878 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -1.742 2.903 5.082 1.00 0.00 H new ATOM 669 N ARG A 46 -4.050 2.951 4.034 1.00 0.00 N ATOM 670 CA ARG A 46 -5.113 3.898 3.719 1.00 0.00 C ATOM 671 C ARG A 46 -4.556 5.312 3.574 1.00 0.00 C ATOM 672 O ARG A 46 -4.118 5.935 4.542 1.00 0.00 O ATOM 673 CB ARG A 46 -6.188 3.871 4.807 1.00 0.00 C ATOM 674 CG ARG A 46 -7.477 4.570 4.407 1.00 0.00 C ATOM 675 CD ARG A 46 -7.459 6.039 4.801 1.00 0.00 C ATOM 676 NE ARG A 46 -7.779 6.231 6.213 1.00 0.00 N ATOM 677 CZ ARG A 46 -9.020 6.308 6.681 1.00 0.00 C ATOM 678 NH1 ARG A 46 -10.051 6.211 5.854 1.00 0.00 N ATOM 679 NH2 ARG A 46 -9.230 6.484 7.979 1.00 0.00 N ATOM 0 H ARG A 46 -3.965 2.726 5.025 1.00 0.00 H new ATOM 0 HA ARG A 46 -5.559 3.602 2.769 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -6.410 2.834 5.061 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -5.794 4.342 5.707 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -7.621 4.483 3.330 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -8.324 4.075 4.883 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -6.475 6.458 4.592 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -8.175 6.587 4.189 1.00 0.00 H new ATOM 0 HE ARG A 46 -7.008 6.310 6.876 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -9.893 6.077 4.855 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -11.003 6.270 6.216 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -8.439 6.560 8.618 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -10.183 6.543 8.338 1.00 0.00 H new ATOM 693 N PRO A 47 -4.572 5.830 2.338 1.00 0.00 N ATOM 694 CA PRO A 47 -4.073 7.175 2.037 1.00 0.00 C ATOM 695 C PRO A 47 -4.967 8.268 2.613 1.00 0.00 C ATOM 696 O PRO A 47 -6.129 8.024 2.939 1.00 0.00 O ATOM 697 CB PRO A 47 -4.086 7.225 0.507 1.00 0.00 C ATOM 698 CG PRO A 47 -5.125 6.236 0.105 1.00 0.00 C ATOM 699 CD PRO A 47 -5.080 5.144 1.138 1.00 0.00 C ATOM 0 HA PRO A 47 -3.090 7.352 2.475 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -4.329 8.224 0.146 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -3.111 6.965 0.094 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -6.111 6.699 0.069 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -4.923 5.840 -0.890 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.066 4.712 1.309 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.424 4.329 0.833 1.00 0.00 H new ATOM 707 N ASP A 48 -4.419 9.472 2.734 1.00 0.00 N ATOM 708 CA ASP A 48 -5.168 10.603 3.269 1.00 0.00 C ATOM 709 C ASP A 48 -6.419 10.869 2.437 1.00 0.00 C ATOM 710 O ASP A 48 -7.504 11.077 2.979 1.00 0.00 O ATOM 711 CB ASP A 48 -4.289 11.854 3.304 1.00 0.00 C ATOM 712 CG ASP A 48 -3.282 11.886 2.171 1.00 0.00 C ATOM 713 OD1 ASP A 48 -2.355 11.050 2.176 1.00 0.00 O ATOM 714 OD2 ASP A 48 -3.423 12.748 1.278 1.00 0.00 O ATOM 0 H ASP A 48 -3.459 9.690 2.469 1.00 0.00 H new ATOM 0 HA ASP A 48 -5.475 10.355 4.285 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -4.921 12.740 3.249 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -3.761 11.897 4.257 1.00 0.00 H new ATOM 719 N ASP A 49 -6.258 10.862 1.118 1.00 0.00 N ATOM 720 CA ASP A 49 -7.374 11.102 0.210 1.00 0.00 C ATOM 721 C ASP A 49 -8.648 10.443 0.729 1.00 0.00 C ATOM 722 O ASP A 49 -9.757 10.889 0.431 1.00 0.00 O ATOM 723 CB ASP A 49 -7.045 10.575 -1.187 1.00 0.00 C ATOM 724 CG ASP A 49 -6.092 11.483 -1.939 1.00 0.00 C ATOM 725 OD1 ASP A 49 -4.903 11.537 -1.562 1.00 0.00 O ATOM 726 OD2 ASP A 49 -6.535 12.141 -2.904 1.00 0.00 O ATOM 0 H ASP A 49 -5.366 10.693 0.654 1.00 0.00 H new ATOM 0 HA ASP A 49 -7.540 12.178 0.154 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -6.605 9.581 -1.103 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -7.967 10.468 -1.758 1.00 0.00 H new ATOM 731 N LEU A 50 -8.483 9.379 1.507 1.00 0.00 N ATOM 732 CA LEU A 50 -9.620 8.657 2.067 1.00 0.00 C ATOM 733 C LEU A 50 -9.783 8.965 3.552 1.00 0.00 C ATOM 734 O LEU A 50 -10.895 8.953 4.080 1.00 0.00 O ATOM 735 CB LEU A 50 -9.444 7.151 1.863 1.00 0.00 C ATOM 736 CG LEU A 50 -9.533 6.654 0.420 1.00 0.00 C ATOM 737 CD1 LEU A 50 -9.208 5.171 0.345 1.00 0.00 C ATOM 738 CD2 LEU A 50 -10.916 6.928 -0.153 1.00 0.00 C ATOM 0 H LEU A 50 -7.573 8.997 1.764 1.00 0.00 H new ATOM 0 HA LEU A 50 -10.519 8.985 1.546 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -8.474 6.861 2.267 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -10.202 6.634 2.452 1.00 0.00 H new ATOM 0 HG LEU A 50 -8.799 7.196 -0.177 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -9.277 4.835 -0.690 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -8.197 5.001 0.715 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -9.917 4.612 0.955 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.962 6.568 -1.181 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.667 6.412 0.446 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.111 8.000 -0.135 1.00 0.00 H new ATOM 750 N ILE A 51 -8.668 9.243 4.219 1.00 0.00 N ATOM 751 CA ILE A 51 -8.687 9.558 5.642 1.00 0.00 C ATOM 752 C ILE A 51 -9.758 10.596 5.961 1.00 0.00 C ATOM 753 O ILE A 51 -9.707 11.725 5.475 1.00 0.00 O ATOM 754 CB ILE A 51 -7.321 10.082 6.122 1.00 0.00 C ATOM 755 CG1 ILE A 51 -6.276 8.965 6.074 1.00 0.00 C ATOM 756 CG2 ILE A 51 -7.435 10.649 7.529 1.00 0.00 C ATOM 757 CD1 ILE A 51 -4.907 9.398 6.550 1.00 0.00 C ATOM 0 H ILE A 51 -7.740 9.256 3.797 1.00 0.00 H new ATOM 0 HA ILE A 51 -8.915 8.630 6.167 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.001 10.882 5.455 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -6.618 8.132 6.687 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.196 8.596 5.051 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -6.461 11.015 7.854 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.151 11.470 7.533 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -7.774 9.868 8.210 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -4.217 8.556 6.489 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -4.544 10.211 5.922 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -4.972 9.739 7.583 1.00 0.00 H new ATOM 769 N GLY A 52 -10.727 10.205 6.783 1.00 0.00 N ATOM 770 CA GLY A 52 -11.796 11.114 7.154 1.00 0.00 C ATOM 771 C GLY A 52 -13.163 10.596 6.754 1.00 0.00 C ATOM 772 O GLY A 52 -14.156 10.857 7.433 1.00 0.00 O ATOM 0 H GLY A 52 -10.791 9.276 7.198 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -11.773 11.276 8.232 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -11.626 12.082 6.683 1.00 0.00 H new ATOM 776 N ARG A 53 -13.215 9.860 5.649 1.00 0.00 N ATOM 777 CA ARG A 53 -14.472 9.306 5.158 1.00 0.00 C ATOM 778 C ARG A 53 -14.845 8.041 5.926 1.00 0.00 C ATOM 779 O ARG A 53 -13.975 7.281 6.349 1.00 0.00 O ATOM 780 CB ARG A 53 -14.368 8.996 3.664 1.00 0.00 C ATOM 781 CG ARG A 53 -14.108 10.222 2.804 1.00 0.00 C ATOM 782 CD ARG A 53 -14.485 9.974 1.352 1.00 0.00 C ATOM 783 NE ARG A 53 -14.915 11.199 0.681 1.00 0.00 N ATOM 784 CZ ARG A 53 -16.152 11.676 0.746 1.00 0.00 C ATOM 785 NH1 ARG A 53 -17.078 11.036 1.447 1.00 0.00 N ATOM 786 NH2 ARG A 53 -16.467 12.796 0.108 1.00 0.00 N ATOM 0 H ARG A 53 -12.402 9.633 5.076 1.00 0.00 H new ATOM 0 HA ARG A 53 -15.254 10.049 5.314 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -13.566 8.275 3.506 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -15.292 8.521 3.335 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -14.679 11.066 3.190 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -13.054 10.495 2.866 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -13.631 9.551 0.823 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -15.285 9.236 1.306 1.00 0.00 H new ATOM 0 HE ARG A 53 -14.227 11.716 0.133 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -16.841 10.174 1.938 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -18.028 11.405 1.495 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -15.758 13.291 -0.433 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -17.418 13.162 0.159 1.00 0.00 H new ATOM 800 N ALA A 54 -16.144 7.824 6.103 1.00 0.00 N ATOM 801 CA ALA A 54 -16.632 6.652 6.818 1.00 0.00 C ATOM 802 C ALA A 54 -16.789 5.461 5.879 1.00 0.00 C ATOM 803 O ALA A 54 -16.487 4.325 6.245 1.00 0.00 O ATOM 804 CB ALA A 54 -17.955 6.964 7.503 1.00 0.00 C ATOM 0 H ALA A 54 -16.877 8.445 5.761 1.00 0.00 H new ATOM 0 HA ALA A 54 -15.895 6.388 7.577 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -18.308 6.079 8.033 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -17.814 7.780 8.212 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -18.692 7.256 6.755 1.00 0.00 H new ATOM 810 N ASP A 55 -17.262 5.728 4.666 1.00 0.00 N ATOM 811 CA ASP A 55 -17.458 4.678 3.674 1.00 0.00 C ATOM 812 C ASP A 55 -16.230 3.777 3.586 1.00 0.00 C ATOM 813 O ASP A 55 -16.324 2.563 3.764 1.00 0.00 O ATOM 814 CB ASP A 55 -17.756 5.291 2.304 1.00 0.00 C ATOM 815 CG ASP A 55 -16.944 6.544 2.042 1.00 0.00 C ATOM 816 OD1 ASP A 55 -17.345 7.622 2.528 1.00 0.00 O ATOM 817 OD2 ASP A 55 -15.909 6.447 1.350 1.00 0.00 O ATOM 0 H ASP A 55 -17.517 6.663 4.347 1.00 0.00 H new ATOM 0 HA ASP A 55 -18.309 4.072 3.985 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -17.546 4.556 1.527 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -18.818 5.529 2.239 1.00 0.00 H new ATOM 822 N VAL A 56 -15.078 4.381 3.308 1.00 0.00 N ATOM 823 CA VAL A 56 -13.831 3.633 3.196 1.00 0.00 C ATOM 824 C VAL A 56 -13.616 2.739 4.412 1.00 0.00 C ATOM 825 O VAL A 56 -13.255 1.569 4.279 1.00 0.00 O ATOM 826 CB VAL A 56 -12.623 4.577 3.046 1.00 0.00 C ATOM 827 CG1 VAL A 56 -12.595 5.594 4.177 1.00 0.00 C ATOM 828 CG2 VAL A 56 -11.328 3.780 3.002 1.00 0.00 C ATOM 0 H VAL A 56 -14.983 5.385 3.156 1.00 0.00 H new ATOM 0 HA VAL A 56 -13.912 3.013 2.303 1.00 0.00 H new ATOM 0 HB VAL A 56 -12.722 5.119 2.106 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -11.735 6.252 4.054 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -13.510 6.186 4.157 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -12.520 5.074 5.132 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -10.484 4.462 2.896 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -11.220 3.210 3.925 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -11.350 3.096 2.154 1.00 0.00 H new ATOM 838 N ASP A 57 -13.839 3.297 5.597 1.00 0.00 N ATOM 839 CA ASP A 57 -13.670 2.549 6.838 1.00 0.00 C ATOM 840 C ASP A 57 -14.667 1.397 6.918 1.00 0.00 C ATOM 841 O ASP A 57 -14.327 0.297 7.354 1.00 0.00 O ATOM 842 CB ASP A 57 -13.844 3.475 8.043 1.00 0.00 C ATOM 843 CG ASP A 57 -12.592 4.274 8.345 1.00 0.00 C ATOM 844 OD1 ASP A 57 -11.511 3.660 8.466 1.00 0.00 O ATOM 845 OD2 ASP A 57 -12.692 5.514 8.458 1.00 0.00 O ATOM 0 H ASP A 57 -14.137 4.264 5.725 1.00 0.00 H new ATOM 0 HA ASP A 57 -12.662 2.135 6.850 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -14.672 4.159 7.855 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -14.113 2.882 8.917 1.00 0.00 H new ATOM 850 N LYS A 58 -15.899 1.657 6.494 1.00 0.00 N ATOM 851 CA LYS A 58 -16.947 0.643 6.517 1.00 0.00 C ATOM 852 C LYS A 58 -16.648 -0.470 5.517 1.00 0.00 C ATOM 853 O LYS A 58 -16.472 -1.628 5.898 1.00 0.00 O ATOM 854 CB LYS A 58 -18.304 1.275 6.202 1.00 0.00 C ATOM 855 CG LYS A 58 -19.389 0.260 5.884 1.00 0.00 C ATOM 856 CD LYS A 58 -20.411 0.823 4.911 1.00 0.00 C ATOM 857 CE LYS A 58 -21.596 1.436 5.640 1.00 0.00 C ATOM 858 NZ LYS A 58 -21.222 2.688 6.353 1.00 0.00 N ATOM 0 H LYS A 58 -16.197 2.562 6.130 1.00 0.00 H new ATOM 0 HA LYS A 58 -16.978 0.211 7.517 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -18.621 1.878 7.053 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -18.192 1.952 5.355 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -18.937 -0.637 5.460 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -19.889 -0.040 6.805 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -19.939 1.578 4.282 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -20.760 0.030 4.249 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -22.391 1.649 4.926 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -21.994 0.716 6.355 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -22.082 3.223 6.589 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -20.711 2.450 7.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -20.612 3.267 5.741 1.00 0.00 H new ATOM 872 N ILE A 59 -16.591 -0.111 4.239 1.00 0.00 N ATOM 873 CA ILE A 59 -16.311 -1.080 3.186 1.00 0.00 C ATOM 874 C ILE A 59 -15.294 -2.117 3.650 1.00 0.00 C ATOM 875 O ILE A 59 -15.416 -3.303 3.340 1.00 0.00 O ATOM 876 CB ILE A 59 -15.781 -0.391 1.914 1.00 0.00 C ATOM 877 CG1 ILE A 59 -16.842 0.549 1.338 1.00 0.00 C ATOM 878 CG2 ILE A 59 -15.370 -1.430 0.882 1.00 0.00 C ATOM 879 CD1 ILE A 59 -16.336 1.403 0.197 1.00 0.00 C ATOM 0 H ILE A 59 -16.735 0.843 3.908 1.00 0.00 H new ATOM 0 HA ILE A 59 -17.253 -1.577 2.955 1.00 0.00 H new ATOM 0 HB ILE A 59 -14.903 0.199 2.176 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -17.690 -0.042 0.991 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -17.210 1.199 2.132 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -14.998 -0.928 -0.011 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -14.586 -2.064 1.296 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -16.232 -2.044 0.621 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -17.141 2.044 -0.162 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -15.507 2.020 0.544 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -15.994 0.761 -0.615 1.00 0.00 H new ATOM 891 N ILE A 60 -14.292 -1.663 4.395 1.00 0.00 N ATOM 892 CA ILE A 60 -13.255 -2.553 4.905 1.00 0.00 C ATOM 893 C ILE A 60 -13.780 -3.409 6.052 1.00 0.00 C ATOM 894 O ILE A 60 -13.566 -4.620 6.084 1.00 0.00 O ATOM 895 CB ILE A 60 -12.024 -1.764 5.389 1.00 0.00 C ATOM 896 CG1 ILE A 60 -11.369 -1.030 4.217 1.00 0.00 C ATOM 897 CG2 ILE A 60 -11.028 -2.697 6.060 1.00 0.00 C ATOM 898 CD1 ILE A 60 -10.406 0.055 4.647 1.00 0.00 C ATOM 0 H ILE A 60 -14.176 -0.685 4.659 1.00 0.00 H new ATOM 0 HA ILE A 60 -12.960 -3.200 4.079 1.00 0.00 H new ATOM 0 HB ILE A 60 -12.349 -1.024 6.121 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -10.837 -1.752 3.598 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -12.147 -0.588 3.595 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -10.163 -2.125 6.397 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -11.500 -3.179 6.916 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -10.705 -3.457 5.349 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -9.979 0.533 3.765 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -10.937 0.798 5.241 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -9.607 -0.384 5.245 1.00 0.00 H new ATOM 910 N GLN A 61 -14.470 -2.770 6.992 1.00 0.00 N ATOM 911 CA GLN A 61 -15.027 -3.473 8.141 1.00 0.00 C ATOM 912 C GLN A 61 -15.733 -4.753 7.706 1.00 0.00 C ATOM 913 O GLN A 61 -15.319 -5.854 8.068 1.00 0.00 O ATOM 914 CB GLN A 61 -16.003 -2.569 8.895 1.00 0.00 C ATOM 915 CG GLN A 61 -15.320 -1.520 9.757 1.00 0.00 C ATOM 916 CD GLN A 61 -16.133 -1.151 10.982 1.00 0.00 C ATOM 917 OE1 GLN A 61 -16.758 -0.091 11.030 1.00 0.00 O ATOM 918 NE2 GLN A 61 -16.129 -2.025 11.981 1.00 0.00 N ATOM 0 H GLN A 61 -14.656 -1.767 6.980 1.00 0.00 H new ATOM 0 HA GLN A 61 -14.205 -3.741 8.805 1.00 0.00 H new ATOM 0 HB2 GLN A 61 -16.652 -2.069 8.176 1.00 0.00 H new ATOM 0 HB3 GLN A 61 -16.642 -3.186 9.527 1.00 0.00 H new ATOM 0 HG2 GLN A 61 -14.345 -1.892 10.071 1.00 0.00 H new ATOM 0 HG3 GLN A 61 -15.142 -0.625 9.161 1.00 0.00 H new ATOM 0 HE21 GLN A 61 -15.597 -2.891 11.899 1.00 0.00 H new ATOM 0 HE22 GLN A 61 -16.658 -1.830 12.831 1.00 0.00 H new ATOM 927 N GLU A 62 -16.801 -4.599 6.929 1.00 0.00 N ATOM 928 CA GLU A 62 -17.564 -5.744 6.447 1.00 0.00 C ATOM 929 C GLU A 62 -17.473 -5.858 4.928 1.00 0.00 C ATOM 930 O GLU A 62 -18.314 -5.344 4.189 1.00 0.00 O ATOM 931 CB GLU A 62 -19.029 -5.624 6.873 1.00 0.00 C ATOM 932 CG GLU A 62 -19.947 -6.617 6.180 1.00 0.00 C ATOM 933 CD GLU A 62 -21.341 -6.637 6.777 1.00 0.00 C ATOM 934 OE1 GLU A 62 -21.458 -6.834 8.005 1.00 0.00 O ATOM 935 OE2 GLU A 62 -22.315 -6.456 6.016 1.00 0.00 O ATOM 0 H GLU A 62 -17.157 -3.694 6.621 1.00 0.00 H new ATOM 0 HA GLU A 62 -17.137 -6.645 6.888 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -19.098 -5.769 7.951 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -19.378 -4.613 6.664 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -20.013 -6.367 5.121 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -19.513 -7.615 6.246 1.00 0.00 H new ATOM 942 N PRO A 63 -16.426 -6.547 4.448 1.00 0.00 N ATOM 943 CA PRO A 63 -16.199 -6.745 3.014 1.00 0.00 C ATOM 944 C PRO A 63 -17.227 -7.680 2.387 1.00 0.00 C ATOM 945 O PRO A 63 -17.829 -8.519 3.059 1.00 0.00 O ATOM 946 CB PRO A 63 -14.803 -7.370 2.959 1.00 0.00 C ATOM 947 CG PRO A 63 -14.633 -8.034 4.282 1.00 0.00 C ATOM 948 CD PRO A 63 -15.385 -7.186 5.270 1.00 0.00 C ATOM 0 HA PRO A 63 -16.286 -5.813 2.455 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -14.722 -8.088 2.143 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -14.036 -6.613 2.795 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -15.026 -9.051 4.262 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -13.579 -8.105 4.551 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -15.817 -7.788 6.069 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -14.736 -6.448 5.742 1.00 0.00 H new ATOM 956 N PRO A 64 -17.435 -7.536 1.070 1.00 0.00 N ATOM 957 CA PRO A 64 -18.390 -8.361 0.324 1.00 0.00 C ATOM 958 C PRO A 64 -17.927 -9.808 0.192 1.00 0.00 C ATOM 959 O PRO A 64 -18.684 -10.740 0.464 1.00 0.00 O ATOM 960 CB PRO A 64 -18.442 -7.689 -1.050 1.00 0.00 C ATOM 961 CG PRO A 64 -17.131 -6.993 -1.181 1.00 0.00 C ATOM 962 CD PRO A 64 -16.753 -6.557 0.207 1.00 0.00 C ATOM 0 HA PRO A 64 -19.357 -8.417 0.823 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -18.582 -8.422 -1.844 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -19.272 -6.986 -1.116 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -16.376 -7.658 -1.600 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -17.209 -6.137 -1.851 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -15.673 -6.576 0.354 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -17.085 -5.540 0.413 1.00 0.00 H new ATOM 970 N HIS A 65 -16.678 -9.989 -0.226 1.00 0.00 N ATOM 971 CA HIS A 65 -16.114 -11.324 -0.393 1.00 0.00 C ATOM 972 C HIS A 65 -16.444 -12.207 0.806 1.00 0.00 C ATOM 973 O HIS A 65 -16.418 -13.434 0.713 1.00 0.00 O ATOM 974 CB HIS A 65 -14.599 -11.240 -0.579 1.00 0.00 C ATOM 975 CG HIS A 65 -13.850 -11.026 0.701 1.00 0.00 C ATOM 976 ND1 HIS A 65 -13.533 -9.775 1.187 1.00 0.00 N ATOM 977 CD2 HIS A 65 -13.356 -11.913 1.596 1.00 0.00 C ATOM 978 CE1 HIS A 65 -12.875 -9.902 2.325 1.00 0.00 C ATOM 979 NE2 HIS A 65 -12.754 -11.189 2.596 1.00 0.00 N ATOM 0 H HIS A 65 -16.038 -9.229 -0.455 1.00 0.00 H new ATOM 0 HA HIS A 65 -16.557 -11.771 -1.283 1.00 0.00 H new ATOM 0 HB2 HIS A 65 -14.247 -12.159 -1.047 1.00 0.00 H new ATOM 0 HB3 HIS A 65 -14.370 -10.425 -1.265 1.00 0.00 H new ATOM 0 HD2 HIS A 65 -13.423 -12.989 1.535 1.00 0.00 H new ATOM 0 HE1 HIS A 65 -12.499 -9.091 2.931 1.00 0.00 H new ATOM 0 HE2 HIS A 65 -12.289 -11.581 3.415 1.00 0.00 H new