USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 612 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 17 GLN : amide:sc= -0.0296 K(o=-0.03,f=-1.3) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 41:sc= 0.459 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 28 ASN :FLIP amide:sc=-0.000943 F(o=-2.3,f=-0.00094) USER MOD Single : A 29 GLN : amide:sc= -0.363 X(o=-0.36,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= -0.472 X(o=-0.47,f=0) USER MOD Single : A 45 GLN : amide:sc= -0.0847 K(o=-0.085,f=-1.6!) USER MOD Single : A 46 THR OG1 : rot 163:sc= 0.00323 USER MOD Single : A 49 ASN : amide:sc= 0.753 K(o=0.75,f=-6.6!) USER MOD Single : A 50 THR OG1 : rot 91:sc= 0.845 USER MOD Single : A 51 TYR OH : rot 90:sc= -3.6! USER MOD Single : A 53 ASN : amide:sc=-0.00939 X(o=-0.0094,f=-0.18) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -119:sc= -0.751! USER MOD Single : A 59 MET CE :methyl -155:sc= -0.107 (180deg=-0.674) USER MOD Single : A 66 THR OG1 : rot 180:sc= -0.0252 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 151 N ILE A 13 -11.731 -8.370 11.695 1.00 0.00 N ATOM 152 CA ILE A 13 -11.373 -7.093 11.090 1.00 0.00 C ATOM 153 C ILE A 13 -9.980 -6.651 11.523 1.00 0.00 C ATOM 154 O ILE A 13 -9.471 -7.088 12.555 1.00 0.00 O ATOM 155 CB ILE A 13 -12.386 -5.992 11.457 1.00 0.00 C ATOM 156 CG1 ILE A 13 -13.815 -6.478 11.203 1.00 0.00 C ATOM 157 CG2 ILE A 13 -12.103 -4.725 10.664 1.00 0.00 C ATOM 158 CD1 ILE A 13 -14.875 -5.541 11.736 1.00 0.00 C ATOM 0 HA ILE A 13 -11.385 -7.241 10.010 1.00 0.00 H new ATOM 0 HB ILE A 13 -12.283 -5.763 12.518 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -13.961 -6.607 10.131 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -13.944 -7.458 11.662 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -12.827 -3.957 10.935 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.097 -4.371 10.890 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -12.181 -4.938 9.598 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -15.863 -5.949 11.521 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -14.755 -5.431 12.814 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -14.773 -4.567 11.258 1.00 0.00 H new ATOM 170 N ALA A 14 -9.368 -5.779 10.729 1.00 0.00 N ATOM 171 CA ALA A 14 -8.034 -5.274 11.032 1.00 0.00 C ATOM 172 C ALA A 14 -8.026 -3.750 11.096 1.00 0.00 C ATOM 173 O ALA A 14 -8.778 -3.085 10.383 1.00 0.00 O ATOM 174 CB ALA A 14 -7.035 -5.766 9.995 1.00 0.00 C ATOM 0 H ALA A 14 -9.775 -5.407 9.871 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.742 -5.655 12.011 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -6.043 -5.381 10.234 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.012 -6.856 10.000 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.333 -5.414 9.007 1.00 0.00 H new ATOM 180 N ARG A 15 -7.171 -3.203 11.954 1.00 0.00 N ATOM 181 CA ARG A 15 -7.066 -1.758 12.112 1.00 0.00 C ATOM 182 C ARG A 15 -5.794 -1.230 11.456 1.00 0.00 C ATOM 183 O ARG A 15 -4.718 -1.259 12.053 1.00 0.00 O ATOM 184 CB ARG A 15 -7.081 -1.383 13.595 1.00 0.00 C ATOM 185 CG ARG A 15 -8.472 -1.094 14.136 1.00 0.00 C ATOM 186 CD ARG A 15 -8.419 -0.595 15.571 1.00 0.00 C ATOM 187 NE ARG A 15 -9.614 -0.965 16.325 1.00 0.00 N ATOM 188 CZ ARG A 15 -10.044 -0.303 17.393 1.00 0.00 C ATOM 189 NH1 ARG A 15 -9.380 0.757 17.831 1.00 0.00 N ATOM 190 NH2 ARG A 15 -11.140 -0.702 18.025 1.00 0.00 N ATOM 0 H ARG A 15 -6.541 -3.739 12.550 1.00 0.00 H new ATOM 0 HA ARG A 15 -7.925 -1.301 11.620 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.638 -2.195 14.171 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.452 -0.505 13.746 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -8.960 -0.348 13.508 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.078 -1.999 14.086 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.538 -1.005 16.065 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -8.310 0.490 15.574 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.148 -1.777 16.014 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -8.537 1.066 17.348 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -9.712 1.264 18.651 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.653 -1.518 17.691 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -11.470 -0.193 18.845 1.00 0.00 H new ATOM 204 N ILE A 16 -5.925 -0.749 10.224 1.00 0.00 N ATOM 205 CA ILE A 16 -4.787 -0.214 9.488 1.00 0.00 C ATOM 206 C ILE A 16 -4.834 1.309 9.432 1.00 0.00 C ATOM 207 O ILE A 16 -5.742 1.890 8.838 1.00 0.00 O ATOM 208 CB ILE A 16 -4.735 -0.767 8.051 1.00 0.00 C ATOM 209 CG1 ILE A 16 -5.182 -2.230 8.029 1.00 0.00 C ATOM 210 CG2 ILE A 16 -3.332 -0.627 7.480 1.00 0.00 C ATOM 211 CD1 ILE A 16 -4.268 -3.153 8.805 1.00 0.00 C ATOM 0 H ILE A 16 -6.808 -0.719 9.715 1.00 0.00 H new ATOM 0 HA ILE A 16 -3.891 -0.528 10.023 1.00 0.00 H new ATOM 0 HB ILE A 16 -5.418 -0.188 7.429 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.189 -2.300 8.440 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.235 -2.570 6.995 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.311 -1.022 6.464 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.048 0.425 7.466 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.630 -1.184 8.100 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.646 -4.174 8.746 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.265 -3.113 8.381 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.234 -2.839 9.848 1.00 0.00 H new ATOM 223 N GLN A 17 -3.849 1.950 10.054 1.00 0.00 N ATOM 224 CA GLN A 17 -3.778 3.406 10.074 1.00 0.00 C ATOM 225 C GLN A 17 -2.850 3.921 8.979 1.00 0.00 C ATOM 226 O GLN A 17 -1.647 3.657 8.995 1.00 0.00 O ATOM 227 CB GLN A 17 -3.295 3.895 11.440 1.00 0.00 C ATOM 228 CG GLN A 17 -3.310 5.408 11.585 1.00 0.00 C ATOM 229 CD GLN A 17 -3.221 5.857 13.030 1.00 0.00 C ATOM 230 OE1 GLN A 17 -3.209 5.036 13.948 1.00 0.00 O ATOM 231 NE2 GLN A 17 -3.157 7.167 13.241 1.00 0.00 N ATOM 0 H GLN A 17 -3.090 1.484 10.550 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.779 3.796 9.889 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.923 3.458 12.216 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -2.281 3.532 11.609 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.476 5.831 11.025 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -4.224 5.803 11.142 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -3.170 7.812 12.451 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -3.095 7.528 14.193 1.00 0.00 H new ATOM 240 N PHE A 18 -3.416 4.657 8.028 1.00 0.00 N ATOM 241 CA PHE A 18 -2.639 5.208 6.924 1.00 0.00 C ATOM 242 C PHE A 18 -2.150 6.615 7.252 1.00 0.00 C ATOM 243 O PHE A 18 -2.922 7.574 7.224 1.00 0.00 O ATOM 244 CB PHE A 18 -3.478 5.232 5.645 1.00 0.00 C ATOM 245 CG PHE A 18 -3.861 3.866 5.153 1.00 0.00 C ATOM 246 CD1 PHE A 18 -4.956 3.205 5.685 1.00 0.00 C ATOM 247 CD2 PHE A 18 -3.126 3.242 4.157 1.00 0.00 C ATOM 248 CE1 PHE A 18 -5.312 1.948 5.235 1.00 0.00 C ATOM 249 CE2 PHE A 18 -3.477 1.985 3.702 1.00 0.00 C ATOM 250 CZ PHE A 18 -4.571 1.337 4.242 1.00 0.00 C ATOM 0 H PHE A 18 -4.410 4.886 8.000 1.00 0.00 H new ATOM 0 HA PHE A 18 -1.770 4.568 6.769 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.383 5.812 5.825 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -2.920 5.747 4.864 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.539 3.678 6.461 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.269 3.744 3.732 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -6.168 1.444 5.659 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.897 1.510 2.925 1.00 0.00 H new ATOM 0 HZ PHE A 18 -4.847 0.354 3.888 1.00 0.00 H new ATOM 260 N ARG A 19 -0.863 6.731 7.564 1.00 0.00 N ATOM 261 CA ARG A 19 -0.271 8.020 7.900 1.00 0.00 C ATOM 262 C ARG A 19 0.156 8.767 6.640 1.00 0.00 C ATOM 263 O ARG A 19 0.601 8.158 5.665 1.00 0.00 O ATOM 264 CB ARG A 19 0.933 7.827 8.824 1.00 0.00 C ATOM 265 CG ARG A 19 0.555 7.422 10.239 1.00 0.00 C ATOM 266 CD ARG A 19 1.568 7.930 11.254 1.00 0.00 C ATOM 267 NE ARG A 19 0.983 8.081 12.583 1.00 0.00 N ATOM 268 CZ ARG A 19 1.461 8.907 13.507 1.00 0.00 C ATOM 269 NH1 ARG A 19 2.526 9.653 13.247 1.00 0.00 N ATOM 270 NH2 ARG A 19 0.873 8.989 14.694 1.00 0.00 N ATOM 0 H ARG A 19 -0.210 5.947 7.591 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.025 8.614 8.416 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.588 7.066 8.400 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.505 8.754 8.861 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.432 7.816 10.480 1.00 0.00 H new ATOM 0 HG3 ARG A 19 0.488 6.336 10.302 1.00 0.00 H new ATOM 0 HD2 ARG A 19 2.409 7.238 11.305 1.00 0.00 H new ATOM 0 HD3 ARG A 19 1.964 8.889 10.921 1.00 0.00 H new ATOM 0 HE ARG A 19 0.162 7.522 12.815 1.00 0.00 H new ATOM 0 HH11 ARG A 19 2.980 9.593 12.336 1.00 0.00 H new ATOM 0 HH12 ARG A 19 2.891 10.286 13.958 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.053 8.417 14.898 1.00 0.00 H new ATOM 0 HH22 ARG A 19 1.241 9.624 15.403 1.00 0.00 H new ATOM 284 N LEU A 20 0.018 10.087 6.665 1.00 0.00 N ATOM 285 CA LEU A 20 0.389 10.918 5.525 1.00 0.00 C ATOM 286 C LEU A 20 1.516 11.877 5.894 1.00 0.00 C ATOM 287 O LEU A 20 1.715 12.222 7.059 1.00 0.00 O ATOM 288 CB LEU A 20 -0.824 11.706 5.027 1.00 0.00 C ATOM 289 CG LEU A 20 -1.876 10.905 4.259 1.00 0.00 C ATOM 290 CD1 LEU A 20 -3.000 11.815 3.787 1.00 0.00 C ATOM 291 CD2 LEU A 20 -1.241 10.184 3.079 1.00 0.00 C ATOM 0 H LEU A 20 -0.348 10.606 7.463 1.00 0.00 H new ATOM 0 HA LEU A 20 0.741 10.263 4.728 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.307 12.172 5.886 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.470 12.512 4.384 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.298 10.158 4.931 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -3.739 11.228 3.242 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.473 12.285 4.649 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -2.594 12.585 3.131 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.004 9.619 2.544 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.791 10.914 2.406 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.472 9.502 3.441 1.00 0.00 H new ATOM 303 N PRO A 21 2.272 12.320 4.878 1.00 0.00 N ATOM 304 CA PRO A 21 3.391 13.248 5.070 1.00 0.00 C ATOM 305 C PRO A 21 2.924 14.645 5.462 1.00 0.00 C ATOM 306 O PRO A 21 3.733 15.563 5.604 1.00 0.00 O ATOM 307 CB PRO A 21 4.068 13.275 3.698 1.00 0.00 C ATOM 308 CG PRO A 21 2.990 12.912 2.736 1.00 0.00 C ATOM 309 CD PRO A 21 2.092 11.951 3.464 1.00 0.00 C ATOM 0 HA PRO A 21 4.049 12.932 5.879 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.479 14.261 3.479 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.895 12.567 3.651 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.438 13.796 2.416 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.406 12.454 1.838 1.00 0.00 H new ATOM 0 HD2 PRO A 21 1.053 12.056 3.151 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.378 10.915 3.279 1.00 0.00 H new ATOM 317 N ASP A 22 1.617 14.800 5.637 1.00 0.00 N ATOM 318 CA ASP A 22 1.043 16.087 6.014 1.00 0.00 C ATOM 319 C ASP A 22 0.291 15.979 7.337 1.00 0.00 C ATOM 320 O ASP A 22 -0.595 16.782 7.627 1.00 0.00 O ATOM 321 CB ASP A 22 0.103 16.591 4.918 1.00 0.00 C ATOM 322 CG ASP A 22 -0.276 18.047 5.106 1.00 0.00 C ATOM 323 OD1 ASP A 22 0.498 18.783 5.752 1.00 0.00 O ATOM 324 OD2 ASP A 22 -1.347 18.451 4.606 1.00 0.00 O ATOM 0 H ASP A 22 0.934 14.051 5.524 1.00 0.00 H new ATOM 0 HA ASP A 22 1.859 16.799 6.137 1.00 0.00 H new ATOM 0 HB2 ASP A 22 0.581 16.465 3.947 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -0.801 15.981 4.909 1.00 0.00 H new ATOM 329 N GLY A 23 0.650 14.979 8.137 1.00 0.00 N ATOM 330 CA GLY A 23 -0.002 14.783 9.419 1.00 0.00 C ATOM 331 C GLY A 23 -1.298 14.007 9.297 1.00 0.00 C ATOM 332 O GLY A 23 -1.463 12.959 9.921 1.00 0.00 O ATOM 0 H GLY A 23 1.381 14.301 7.920 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.674 14.252 10.090 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.204 15.753 9.872 1.00 0.00 H new ATOM 336 N SER A 24 -2.223 14.523 8.494 1.00 0.00 N ATOM 337 CA SER A 24 -3.514 13.875 8.297 1.00 0.00 C ATOM 338 C SER A 24 -3.348 12.364 8.166 1.00 0.00 C ATOM 339 O SER A 24 -2.267 11.872 7.841 1.00 0.00 O ATOM 340 CB SER A 24 -4.205 14.433 7.052 1.00 0.00 C ATOM 341 OG SER A 24 -4.307 15.845 7.115 1.00 0.00 O ATOM 0 H SER A 24 -2.102 15.389 7.969 1.00 0.00 H new ATOM 0 HA SER A 24 -4.133 14.082 9.170 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.646 14.145 6.162 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.200 13.997 6.958 1.00 0.00 H new ATOM 0 HG SER A 24 -4.751 16.177 6.307 1.00 0.00 H new ATOM 347 N SER A 25 -4.428 11.632 8.423 1.00 0.00 N ATOM 348 CA SER A 25 -4.402 10.176 8.338 1.00 0.00 C ATOM 349 C SER A 25 -5.818 9.612 8.258 1.00 0.00 C ATOM 350 O SER A 25 -6.792 10.303 8.559 1.00 0.00 O ATOM 351 CB SER A 25 -3.673 9.586 9.547 1.00 0.00 C ATOM 352 OG SER A 25 -3.704 8.170 9.519 1.00 0.00 O ATOM 0 H SER A 25 -5.331 12.023 8.692 1.00 0.00 H new ATOM 0 HA SER A 25 -3.867 9.899 7.430 1.00 0.00 H new ATOM 0 HB2 SER A 25 -2.639 9.930 9.556 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.136 9.945 10.466 1.00 0.00 H new ATOM 0 HG SER A 25 -3.549 7.857 8.603 1.00 0.00 H new ATOM 358 N PHE A 26 -5.923 8.352 7.850 1.00 0.00 N ATOM 359 CA PHE A 26 -7.219 7.694 7.729 1.00 0.00 C ATOM 360 C PHE A 26 -7.096 6.197 8.001 1.00 0.00 C ATOM 361 O PHE A 26 -6.232 5.521 7.442 1.00 0.00 O ATOM 362 CB PHE A 26 -7.803 7.924 6.333 1.00 0.00 C ATOM 363 CG PHE A 26 -6.862 7.557 5.221 1.00 0.00 C ATOM 364 CD1 PHE A 26 -6.818 6.261 4.733 1.00 0.00 C ATOM 365 CD2 PHE A 26 -6.022 8.507 4.665 1.00 0.00 C ATOM 366 CE1 PHE A 26 -5.953 5.920 3.710 1.00 0.00 C ATOM 367 CE2 PHE A 26 -5.156 8.172 3.642 1.00 0.00 C ATOM 368 CZ PHE A 26 -5.120 6.877 3.164 1.00 0.00 C ATOM 0 H PHE A 26 -5.127 7.766 7.598 1.00 0.00 H new ATOM 0 HA PHE A 26 -7.889 8.127 8.472 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.719 7.341 6.230 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.080 8.973 6.232 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.467 5.509 5.157 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.044 9.521 5.035 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.929 4.906 3.338 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.507 8.923 3.216 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.442 6.613 2.365 1.00 0.00 H new ATOM 378 N THR A 27 -7.967 5.685 8.865 1.00 0.00 N ATOM 379 CA THR A 27 -7.957 4.270 9.213 1.00 0.00 C ATOM 380 C THR A 27 -9.176 3.555 8.644 1.00 0.00 C ATOM 381 O THR A 27 -10.304 3.791 9.076 1.00 0.00 O ATOM 382 CB THR A 27 -7.923 4.068 10.740 1.00 0.00 C ATOM 383 OG1 THR A 27 -6.838 4.810 11.309 1.00 0.00 O ATOM 384 CG2 THR A 27 -7.774 2.595 11.087 1.00 0.00 C ATOM 0 H THR A 27 -8.689 6.230 9.337 1.00 0.00 H new ATOM 0 HA THR A 27 -7.054 3.843 8.777 1.00 0.00 H new ATOM 0 HB THR A 27 -8.865 4.429 11.153 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.825 4.677 12.280 1.00 0.00 H new ATOM 0 HG21 THR A 27 -7.752 2.477 12.170 1.00 0.00 H new ATOM 0 HG22 THR A 27 -8.617 2.038 10.678 1.00 0.00 H new ATOM 0 HG23 THR A 27 -6.846 2.213 10.662 1.00 0.00 H new ATOM 392 N ASN A 28 -8.942 2.678 7.672 1.00 0.00 N ATOM 393 CA ASN A 28 -10.023 1.928 7.044 1.00 0.00 C ATOM 394 C ASN A 28 -10.265 0.609 7.773 1.00 0.00 C ATOM 395 O ASN A 28 -9.656 0.341 8.808 1.00 0.00 O ATOM 396 CB ASN A 28 -9.697 1.658 5.574 1.00 0.00 C ATOM 397 CG ASN A 28 -10.943 1.477 4.728 1.00 0.00 C ATOM 398 OD1 ASN A 28 -11.825 2.470 4.756 1.00 0.00 O flip ATOM 399 ND2 ASN A 28 -11.110 0.458 4.059 1.00 0.00 N flip ATOM 0 H ASN A 28 -8.014 2.470 7.303 1.00 0.00 H new ATOM 0 HA ASN A 28 -10.931 2.528 7.104 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -9.109 2.486 5.177 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.078 0.764 5.500 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -10.405 -0.279 4.068 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -11.953 0.350 3.495 1.00 0.00 H new ATOM 406 N GLN A 29 -11.157 -0.209 7.224 1.00 0.00 N ATOM 407 CA GLN A 29 -11.479 -1.499 7.822 1.00 0.00 C ATOM 408 C GLN A 29 -11.285 -2.629 6.816 1.00 0.00 C ATOM 409 O GLN A 29 -11.932 -2.659 5.768 1.00 0.00 O ATOM 410 CB GLN A 29 -12.919 -1.501 8.338 1.00 0.00 C ATOM 411 CG GLN A 29 -13.052 -1.010 9.770 1.00 0.00 C ATOM 412 CD GLN A 29 -14.495 -0.779 10.176 1.00 0.00 C ATOM 413 OE1 GLN A 29 -15.063 0.282 9.913 1.00 0.00 O ATOM 414 NE2 GLN A 29 -15.096 -1.772 10.820 1.00 0.00 N ATOM 0 H GLN A 29 -11.669 -0.001 6.367 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.801 -1.662 8.659 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.530 -0.873 7.689 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.319 -2.513 8.271 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.601 -1.739 10.443 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.493 -0.081 9.885 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -14.587 -2.634 11.017 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.067 -1.673 11.118 1.00 0.00 H new ATOM 423 N PHE A 30 -10.391 -3.557 7.140 1.00 0.00 N ATOM 424 CA PHE A 30 -10.111 -4.689 6.265 1.00 0.00 C ATOM 425 C PHE A 30 -10.117 -5.998 7.048 1.00 0.00 C ATOM 426 O PHE A 30 -9.753 -6.049 8.223 1.00 0.00 O ATOM 427 CB PHE A 30 -8.760 -4.503 5.571 1.00 0.00 C ATOM 428 CG PHE A 30 -8.643 -3.205 4.825 1.00 0.00 C ATOM 429 CD1 PHE A 30 -9.300 -3.022 3.619 1.00 0.00 C ATOM 430 CD2 PHE A 30 -7.876 -2.167 5.329 1.00 0.00 C ATOM 431 CE1 PHE A 30 -9.195 -1.829 2.929 1.00 0.00 C ATOM 432 CE2 PHE A 30 -7.767 -0.971 4.645 1.00 0.00 C ATOM 433 CZ PHE A 30 -8.427 -0.802 3.443 1.00 0.00 C ATOM 0 H PHE A 30 -9.848 -3.547 8.003 1.00 0.00 H new ATOM 0 HA PHE A 30 -10.896 -4.735 5.510 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -7.967 -4.557 6.317 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.601 -5.328 4.876 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.902 -3.822 3.213 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.357 -2.294 6.268 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.712 -1.700 1.990 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -7.167 -0.170 5.050 1.00 0.00 H new ATOM 0 HZ PHE A 30 -8.343 0.131 2.906 1.00 0.00 H new ATOM 443 N PRO A 31 -10.542 -7.083 6.384 1.00 0.00 N ATOM 444 CA PRO A 31 -10.606 -8.413 6.998 1.00 0.00 C ATOM 445 C PRO A 31 -9.222 -8.996 7.264 1.00 0.00 C ATOM 446 O PRO A 31 -8.357 -8.989 6.389 1.00 0.00 O ATOM 447 CB PRO A 31 -11.348 -9.250 5.954 1.00 0.00 C ATOM 448 CG PRO A 31 -11.085 -8.561 4.659 1.00 0.00 C ATOM 449 CD PRO A 31 -10.991 -7.096 4.982 1.00 0.00 C ATOM 0 HA PRO A 31 -11.096 -8.390 7.972 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.983 -10.277 5.937 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -12.416 -9.295 6.169 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.161 -8.921 4.206 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -11.886 -8.753 3.945 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.283 -6.585 4.329 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.952 -6.596 4.863 1.00 0.00 H new ATOM 457 N SER A 32 -9.021 -9.501 8.477 1.00 0.00 N ATOM 458 CA SER A 32 -7.741 -10.085 8.859 1.00 0.00 C ATOM 459 C SER A 32 -7.181 -10.950 7.733 1.00 0.00 C ATOM 460 O SER A 32 -5.974 -11.175 7.650 1.00 0.00 O ATOM 461 CB SER A 32 -7.897 -10.921 10.130 1.00 0.00 C ATOM 462 OG SER A 32 -8.648 -12.097 9.879 1.00 0.00 O ATOM 0 H SER A 32 -9.728 -9.517 9.212 1.00 0.00 H new ATOM 0 HA SER A 32 -7.041 -9.272 9.051 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.913 -11.189 10.515 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.390 -10.328 10.900 1.00 0.00 H new ATOM 0 HG SER A 32 -8.732 -12.615 10.707 1.00 0.00 H new ATOM 468 N ASP A 33 -8.068 -11.432 6.870 1.00 0.00 N ATOM 469 CA ASP A 33 -7.664 -12.272 5.748 1.00 0.00 C ATOM 470 C ASP A 33 -7.138 -11.422 4.595 1.00 0.00 C ATOM 471 O ASP A 33 -6.177 -11.796 3.924 1.00 0.00 O ATOM 472 CB ASP A 33 -8.841 -13.125 5.273 1.00 0.00 C ATOM 473 CG ASP A 33 -9.962 -12.291 4.686 1.00 0.00 C ATOM 474 OD1 ASP A 33 -9.720 -11.596 3.676 1.00 0.00 O ATOM 475 OD2 ASP A 33 -11.083 -12.333 5.235 1.00 0.00 O ATOM 0 H ASP A 33 -9.071 -11.256 6.925 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.863 -12.929 6.087 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.491 -13.836 4.525 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -9.226 -13.707 6.111 1.00 0.00 H new ATOM 480 N ALA A 34 -7.776 -10.278 4.370 1.00 0.00 N ATOM 481 CA ALA A 34 -7.372 -9.375 3.300 1.00 0.00 C ATOM 482 C ALA A 34 -5.860 -9.176 3.291 1.00 0.00 C ATOM 483 O ALA A 34 -5.247 -8.851 4.308 1.00 0.00 O ATOM 484 CB ALA A 34 -8.082 -8.037 3.442 1.00 0.00 C ATOM 0 H ALA A 34 -8.575 -9.955 4.915 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.658 -9.826 2.350 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.771 -7.373 2.636 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -9.160 -8.190 3.390 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.825 -7.589 4.402 1.00 0.00 H new ATOM 490 N PRO A 35 -5.243 -9.374 2.117 1.00 0.00 N ATOM 491 CA PRO A 35 -3.795 -9.222 1.948 1.00 0.00 C ATOM 492 C PRO A 35 -3.350 -7.766 2.048 1.00 0.00 C ATOM 493 O PRO A 35 -4.051 -6.860 1.596 1.00 0.00 O ATOM 494 CB PRO A 35 -3.543 -9.762 0.539 1.00 0.00 C ATOM 495 CG PRO A 35 -4.839 -9.580 -0.174 1.00 0.00 C ATOM 496 CD PRO A 35 -5.912 -9.762 0.864 1.00 0.00 C ATOM 0 HA PRO A 35 -3.237 -9.744 2.725 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.739 -9.217 0.044 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -3.249 -10.811 0.564 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.899 -8.591 -0.628 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -4.947 -10.307 -0.979 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.779 -9.134 0.660 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -6.266 -10.792 0.900 1.00 0.00 H new ATOM 504 N LEU A 36 -2.181 -7.550 2.641 1.00 0.00 N ATOM 505 CA LEU A 36 -1.642 -6.203 2.800 1.00 0.00 C ATOM 506 C LEU A 36 -2.017 -5.323 1.612 1.00 0.00 C ATOM 507 O LEU A 36 -2.388 -4.162 1.781 1.00 0.00 O ATOM 508 CB LEU A 36 -0.120 -6.257 2.949 1.00 0.00 C ATOM 509 CG LEU A 36 0.529 -5.057 3.640 1.00 0.00 C ATOM 510 CD1 LEU A 36 2.043 -5.127 3.521 1.00 0.00 C ATOM 511 CD2 LEU A 36 0.005 -3.755 3.052 1.00 0.00 C ATOM 0 H LEU A 36 -1.589 -8.289 3.019 1.00 0.00 H new ATOM 0 HA LEU A 36 -2.075 -5.768 3.701 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.139 -7.156 3.508 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.319 -6.361 1.957 1.00 0.00 H new ATOM 0 HG LEU A 36 0.267 -5.086 4.698 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.487 -4.265 4.018 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.403 -6.042 3.991 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.326 -5.124 2.468 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.478 -2.912 3.556 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.236 -3.718 1.987 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -1.075 -3.702 3.191 1.00 0.00 H new ATOM 523 N GLU A 37 -1.920 -5.885 0.411 1.00 0.00 N ATOM 524 CA GLU A 37 -2.251 -5.151 -0.804 1.00 0.00 C ATOM 525 C GLU A 37 -3.589 -4.431 -0.658 1.00 0.00 C ATOM 526 O GLU A 37 -3.692 -3.233 -0.916 1.00 0.00 O ATOM 527 CB GLU A 37 -2.298 -6.100 -2.003 1.00 0.00 C ATOM 528 CG GLU A 37 -2.639 -5.409 -3.313 1.00 0.00 C ATOM 529 CD GLU A 37 -3.267 -6.350 -4.323 1.00 0.00 C ATOM 530 OE1 GLU A 37 -3.869 -7.359 -3.899 1.00 0.00 O ATOM 531 OE2 GLU A 37 -3.157 -6.077 -5.536 1.00 0.00 O ATOM 0 H GLU A 37 -1.615 -6.846 0.254 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.473 -4.405 -0.970 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.331 -6.594 -2.103 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -3.035 -6.879 -1.810 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.323 -4.584 -3.117 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.733 -4.978 -3.738 1.00 0.00 H new ATOM 538 N GLU A 38 -4.611 -5.174 -0.243 1.00 0.00 N ATOM 539 CA GLU A 38 -5.942 -4.607 -0.064 1.00 0.00 C ATOM 540 C GLU A 38 -5.868 -3.253 0.635 1.00 0.00 C ATOM 541 O GLU A 38 -6.600 -2.325 0.293 1.00 0.00 O ATOM 542 CB GLU A 38 -6.823 -5.563 0.743 1.00 0.00 C ATOM 543 CG GLU A 38 -7.475 -6.647 -0.098 1.00 0.00 C ATOM 544 CD GLU A 38 -8.177 -6.092 -1.323 1.00 0.00 C ATOM 545 OE1 GLU A 38 -8.907 -5.089 -1.185 1.00 0.00 O ATOM 546 OE2 GLU A 38 -7.995 -6.662 -2.419 1.00 0.00 O ATOM 0 H GLU A 38 -4.542 -6.168 -0.025 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.383 -4.463 -1.050 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -6.219 -6.032 1.520 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.601 -4.989 1.247 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.716 -7.364 -0.412 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -8.195 -7.192 0.513 1.00 0.00 H new ATOM 553 N ALA A 39 -4.978 -3.149 1.617 1.00 0.00 N ATOM 554 CA ALA A 39 -4.807 -1.909 2.364 1.00 0.00 C ATOM 555 C ALA A 39 -4.146 -0.837 1.504 1.00 0.00 C ATOM 556 O ALA A 39 -4.424 0.353 1.656 1.00 0.00 O ATOM 557 CB ALA A 39 -3.986 -2.159 3.621 1.00 0.00 C ATOM 0 H ALA A 39 -4.365 -3.908 1.913 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.794 -1.549 2.653 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.866 -1.224 4.169 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.498 -2.886 4.251 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -3.005 -2.546 3.344 1.00 0.00 H new ATOM 563 N ARG A 40 -3.271 -1.265 0.601 1.00 0.00 N ATOM 564 CA ARG A 40 -2.569 -0.341 -0.282 1.00 0.00 C ATOM 565 C ARG A 40 -3.496 0.167 -1.383 1.00 0.00 C ATOM 566 O ARG A 40 -3.602 1.372 -1.609 1.00 0.00 O ATOM 567 CB ARG A 40 -1.348 -1.023 -0.903 1.00 0.00 C ATOM 568 CG ARG A 40 -0.542 -0.114 -1.816 1.00 0.00 C ATOM 569 CD ARG A 40 0.722 -0.800 -2.310 1.00 0.00 C ATOM 570 NE ARG A 40 0.470 -1.635 -3.480 1.00 0.00 N ATOM 571 CZ ARG A 40 1.404 -1.959 -4.368 1.00 0.00 C ATOM 572 NH1 ARG A 40 2.645 -1.519 -4.218 1.00 0.00 N ATOM 573 NH2 ARG A 40 1.097 -2.724 -5.407 1.00 0.00 N ATOM 0 H ARG A 40 -3.031 -2.246 0.461 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.237 0.510 0.313 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.701 -1.388 -0.105 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.678 -1.894 -1.470 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -1.153 0.182 -2.668 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.277 0.798 -1.281 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.470 -0.047 -2.557 1.00 0.00 H new ATOM 0 HD3 ARG A 40 1.138 -1.413 -1.510 1.00 0.00 H new ATOM 0 HE ARG A 40 -0.475 -1.990 -3.624 1.00 0.00 H new ATOM 0 HH11 ARG A 40 2.885 -0.931 -3.420 1.00 0.00 H new ATOM 0 HH12 ARG A 40 3.361 -1.769 -4.901 1.00 0.00 H new ATOM 0 HH21 ARG A 40 0.143 -3.065 -5.525 1.00 0.00 H new ATOM 0 HH22 ARG A 40 1.815 -2.972 -6.088 1.00 0.00 H new ATOM 587 N GLN A 41 -4.162 -0.760 -2.064 1.00 0.00 N ATOM 588 CA GLN A 41 -5.078 -0.404 -3.141 1.00 0.00 C ATOM 589 C GLN A 41 -6.092 0.634 -2.674 1.00 0.00 C ATOM 590 O GLN A 41 -6.420 1.569 -3.405 1.00 0.00 O ATOM 591 CB GLN A 41 -5.804 -1.650 -3.653 1.00 0.00 C ATOM 592 CG GLN A 41 -7.105 -1.939 -2.920 1.00 0.00 C ATOM 593 CD GLN A 41 -7.830 -3.149 -3.476 1.00 0.00 C ATOM 594 OE1 GLN A 41 -9.019 -3.083 -3.792 1.00 0.00 O ATOM 595 NE2 GLN A 41 -7.118 -4.263 -3.598 1.00 0.00 N ATOM 0 H GLN A 41 -4.085 -1.762 -1.889 1.00 0.00 H new ATOM 0 HA GLN A 41 -4.493 0.028 -3.953 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.014 -1.527 -4.715 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.143 -2.511 -3.557 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.894 -2.100 -1.863 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -7.756 -1.068 -2.986 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -6.136 -4.273 -3.324 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -7.553 -5.109 -3.966 1.00 0.00 H new ATOM 604 N PHE A 42 -6.586 0.464 -1.452 1.00 0.00 N ATOM 605 CA PHE A 42 -7.564 1.386 -0.887 1.00 0.00 C ATOM 606 C PHE A 42 -7.010 2.807 -0.843 1.00 0.00 C ATOM 607 O PHE A 42 -7.578 3.725 -1.434 1.00 0.00 O ATOM 608 CB PHE A 42 -7.964 0.940 0.521 1.00 0.00 C ATOM 609 CG PHE A 42 -8.682 2.001 1.305 1.00 0.00 C ATOM 610 CD1 PHE A 42 -9.957 2.403 0.945 1.00 0.00 C ATOM 611 CD2 PHE A 42 -8.080 2.596 2.402 1.00 0.00 C ATOM 612 CE1 PHE A 42 -10.621 3.379 1.665 1.00 0.00 C ATOM 613 CE2 PHE A 42 -8.738 3.572 3.126 1.00 0.00 C ATOM 614 CZ PHE A 42 -10.010 3.965 2.756 1.00 0.00 C ATOM 0 H PHE A 42 -6.325 -0.304 -0.834 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.446 1.377 -1.528 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.603 0.060 0.447 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.069 0.640 1.066 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -10.439 1.949 0.092 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.085 2.294 2.695 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -11.616 3.683 1.375 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -8.259 4.027 3.980 1.00 0.00 H new ATOM 0 HZ PHE A 42 -10.525 4.729 3.319 1.00 0.00 H new ATOM 624 N ALA A 43 -5.896 2.980 -0.139 1.00 0.00 N ATOM 625 CA ALA A 43 -5.264 4.288 -0.019 1.00 0.00 C ATOM 626 C ALA A 43 -5.116 4.954 -1.383 1.00 0.00 C ATOM 627 O ALA A 43 -5.265 6.169 -1.510 1.00 0.00 O ATOM 628 CB ALA A 43 -3.907 4.158 0.657 1.00 0.00 C ATOM 0 H ALA A 43 -5.413 2.231 0.357 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.906 4.919 0.596 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -3.446 5.142 0.740 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.036 3.732 1.652 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.266 3.506 0.064 1.00 0.00 H new ATOM 634 N ALA A 44 -4.822 4.151 -2.400 1.00 0.00 N ATOM 635 CA ALA A 44 -4.656 4.662 -3.754 1.00 0.00 C ATOM 636 C ALA A 44 -5.961 5.245 -4.285 1.00 0.00 C ATOM 637 O ALA A 44 -5.954 6.192 -5.071 1.00 0.00 O ATOM 638 CB ALA A 44 -4.153 3.561 -4.676 1.00 0.00 C ATOM 0 H ALA A 44 -4.694 3.143 -2.311 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.917 5.462 -3.725 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.034 3.957 -5.684 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.193 3.194 -4.314 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.872 2.742 -4.691 1.00 0.00 H new ATOM 644 N GLN A 45 -7.079 4.672 -3.852 1.00 0.00 N ATOM 645 CA GLN A 45 -8.392 5.134 -4.285 1.00 0.00 C ATOM 646 C GLN A 45 -8.788 6.412 -3.553 1.00 0.00 C ATOM 647 O GLN A 45 -9.476 7.270 -4.107 1.00 0.00 O ATOM 648 CB GLN A 45 -9.443 4.049 -4.047 1.00 0.00 C ATOM 649 CG GLN A 45 -9.623 3.106 -5.226 1.00 0.00 C ATOM 650 CD GLN A 45 -11.010 2.498 -5.280 1.00 0.00 C ATOM 651 OE1 GLN A 45 -11.827 2.704 -4.382 1.00 0.00 O ATOM 652 NE2 GLN A 45 -11.285 1.742 -6.337 1.00 0.00 N ATOM 0 H GLN A 45 -7.102 3.887 -3.201 1.00 0.00 H new ATOM 0 HA GLN A 45 -8.339 5.350 -5.352 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -9.161 3.469 -3.168 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -10.398 4.523 -3.823 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -9.432 3.648 -6.152 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -8.883 2.308 -5.165 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -10.578 1.597 -7.058 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -12.203 1.306 -6.427 1.00 0.00 H new ATOM 661 N THR A 46 -8.350 6.533 -2.304 1.00 0.00 N ATOM 662 CA THR A 46 -8.659 7.705 -1.495 1.00 0.00 C ATOM 663 C THR A 46 -7.804 8.898 -1.906 1.00 0.00 C ATOM 664 O THR A 46 -8.326 9.952 -2.271 1.00 0.00 O ATOM 665 CB THR A 46 -8.444 7.426 0.004 1.00 0.00 C ATOM 666 OG1 THR A 46 -9.295 6.355 0.430 1.00 0.00 O ATOM 667 CG2 THR A 46 -8.731 8.669 0.833 1.00 0.00 C ATOM 0 H THR A 46 -7.779 5.833 -1.830 1.00 0.00 H new ATOM 0 HA THR A 46 -9.710 7.938 -1.666 1.00 0.00 H new ATOM 0 HB THR A 46 -7.402 7.143 0.152 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.977 6.006 1.289 1.00 0.00 H new ATOM 0 HG21 THR A 46 -8.572 8.447 1.888 1.00 0.00 H new ATOM 0 HG22 THR A 46 -8.062 9.473 0.527 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.765 8.978 0.679 1.00 0.00 H new ATOM 675 N VAL A 47 -6.488 8.726 -1.845 1.00 0.00 N ATOM 676 CA VAL A 47 -5.560 9.789 -2.212 1.00 0.00 C ATOM 677 C VAL A 47 -5.517 9.983 -3.724 1.00 0.00 C ATOM 678 O VAL A 47 -5.196 11.065 -4.213 1.00 0.00 O ATOM 679 CB VAL A 47 -4.137 9.492 -1.704 1.00 0.00 C ATOM 680 CG1 VAL A 47 -4.137 9.310 -0.193 1.00 0.00 C ATOM 681 CG2 VAL A 47 -3.568 8.264 -2.397 1.00 0.00 C ATOM 0 H VAL A 47 -6.040 7.860 -1.545 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.923 10.702 -1.741 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.500 10.343 -1.944 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -3.123 9.101 0.148 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.500 10.221 0.283 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.788 8.478 0.073 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.562 8.070 -2.025 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -4.204 7.403 -2.191 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.530 8.438 -3.472 1.00 0.00 H new ATOM 691 N GLY A 48 -5.844 8.925 -4.460 1.00 0.00 N ATOM 692 CA GLY A 48 -5.837 8.999 -5.910 1.00 0.00 C ATOM 693 C GLY A 48 -4.467 9.331 -6.467 1.00 0.00 C ATOM 694 O GLY A 48 -3.467 8.733 -6.071 1.00 0.00 O ATOM 0 H GLY A 48 -6.114 8.018 -4.078 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.172 8.047 -6.321 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.551 9.755 -6.236 1.00 0.00 H new ATOM 698 N ASN A 49 -4.420 10.286 -7.390 1.00 0.00 N ATOM 699 CA ASN A 49 -3.162 10.694 -8.004 1.00 0.00 C ATOM 700 C ASN A 49 -2.620 11.959 -7.344 1.00 0.00 C ATOM 701 O ASN A 49 -2.074 12.837 -8.013 1.00 0.00 O ATOM 702 CB ASN A 49 -3.356 10.931 -9.503 1.00 0.00 C ATOM 703 CG ASN A 49 -4.524 11.853 -9.797 1.00 0.00 C ATOM 704 OD1 ASN A 49 -5.348 12.126 -8.924 1.00 0.00 O ATOM 705 ND2 ASN A 49 -4.599 12.338 -11.031 1.00 0.00 N ATOM 0 H ASN A 49 -5.238 10.792 -7.729 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.439 9.891 -7.860 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -2.445 11.359 -9.921 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.517 9.975 -10.001 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.362 12.964 -11.287 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.893 12.084 -11.722 1.00 0.00 H new ATOM 712 N THR A 50 -2.773 12.044 -6.026 1.00 0.00 N ATOM 713 CA THR A 50 -2.300 13.200 -5.275 1.00 0.00 C ATOM 714 C THR A 50 -0.791 13.140 -5.067 1.00 0.00 C ATOM 715 O THR A 50 -0.069 14.075 -5.416 1.00 0.00 O ATOM 716 CB THR A 50 -2.992 13.300 -3.903 1.00 0.00 C ATOM 717 OG1 THR A 50 -4.349 13.725 -4.069 1.00 0.00 O ATOM 718 CG2 THR A 50 -2.257 14.276 -2.996 1.00 0.00 C ATOM 0 H THR A 50 -3.221 11.326 -5.457 1.00 0.00 H new ATOM 0 HA THR A 50 -2.548 14.083 -5.864 1.00 0.00 H new ATOM 0 HB THR A 50 -2.975 12.314 -3.439 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.927 12.940 -4.171 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.764 14.330 -2.033 1.00 0.00 H new ATOM 0 HG22 THR A 50 -1.233 13.934 -2.848 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.247 15.264 -3.457 1.00 0.00 H new ATOM 726 N TYR A 51 -0.320 12.036 -4.499 1.00 0.00 N ATOM 727 CA TYR A 51 1.104 11.856 -4.243 1.00 0.00 C ATOM 728 C TYR A 51 1.819 11.335 -5.486 1.00 0.00 C ATOM 729 O TYR A 51 2.761 11.953 -5.979 1.00 0.00 O ATOM 730 CB TYR A 51 1.315 10.889 -3.076 1.00 0.00 C ATOM 731 CG TYR A 51 0.760 11.394 -1.764 1.00 0.00 C ATOM 732 CD1 TYR A 51 1.382 12.429 -1.076 1.00 0.00 C ATOM 733 CD2 TYR A 51 -0.385 10.835 -1.210 1.00 0.00 C ATOM 734 CE1 TYR A 51 0.879 12.893 0.124 1.00 0.00 C ATOM 735 CE2 TYR A 51 -0.896 11.293 -0.011 1.00 0.00 C ATOM 736 CZ TYR A 51 -0.260 12.322 0.652 1.00 0.00 C ATOM 737 OH TYR A 51 -0.765 12.780 1.847 1.00 0.00 O ATOM 0 H TYR A 51 -0.903 11.252 -4.207 1.00 0.00 H new ATOM 0 HA TYR A 51 1.527 12.827 -3.983 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.846 9.935 -3.316 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.382 10.699 -2.961 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.274 12.878 -1.487 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.884 10.028 -1.726 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.375 13.698 0.646 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.788 10.848 0.405 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.403 13.504 1.676 1.00 0.00 H new ATOM 747 N GLY A 52 1.362 10.191 -5.988 1.00 0.00 N ATOM 748 CA GLY A 52 1.968 9.605 -7.169 1.00 0.00 C ATOM 749 C GLY A 52 2.801 8.381 -6.846 1.00 0.00 C ATOM 750 O GLY A 52 3.821 8.477 -6.165 1.00 0.00 O ATOM 0 H GLY A 52 0.583 9.660 -5.598 1.00 0.00 H new ATOM 0 HA2 GLY A 52 1.186 9.332 -7.877 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.596 10.349 -7.659 1.00 0.00 H new ATOM 754 N ASN A 53 2.365 7.224 -7.336 1.00 0.00 N ATOM 755 CA ASN A 53 3.077 5.975 -7.094 1.00 0.00 C ATOM 756 C ASN A 53 3.726 5.977 -5.713 1.00 0.00 C ATOM 757 O ASN A 53 4.909 5.665 -5.571 1.00 0.00 O ATOM 758 CB ASN A 53 4.141 5.753 -8.170 1.00 0.00 C ATOM 759 CG ASN A 53 3.571 5.123 -9.426 1.00 0.00 C ATOM 760 OD1 ASN A 53 2.903 4.091 -9.368 1.00 0.00 O ATOM 761 ND2 ASN A 53 3.833 5.744 -10.570 1.00 0.00 N ATOM 0 H ASN A 53 1.522 7.126 -7.903 1.00 0.00 H new ATOM 0 HA ASN A 53 2.354 5.160 -7.135 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.603 6.708 -8.423 1.00 0.00 H new ATOM 0 HB3 ASN A 53 4.929 5.114 -7.772 1.00 0.00 H new ATOM 0 HD21 ASN A 53 3.476 5.368 -11.448 1.00 0.00 H new ATOM 0 HD22 ASN A 53 4.391 6.598 -10.571 1.00 0.00 H new ATOM 768 N PHE A 54 2.945 6.331 -4.698 1.00 0.00 N ATOM 769 CA PHE A 54 3.443 6.375 -3.329 1.00 0.00 C ATOM 770 C PHE A 54 3.811 4.978 -2.839 1.00 0.00 C ATOM 771 O PHE A 54 3.559 3.983 -3.519 1.00 0.00 O ATOM 772 CB PHE A 54 2.395 6.993 -2.401 1.00 0.00 C ATOM 773 CG PHE A 54 1.210 6.103 -2.159 1.00 0.00 C ATOM 774 CD1 PHE A 54 1.275 5.078 -1.229 1.00 0.00 C ATOM 775 CD2 PHE A 54 0.030 6.291 -2.862 1.00 0.00 C ATOM 776 CE1 PHE A 54 0.186 4.257 -1.004 1.00 0.00 C ATOM 777 CE2 PHE A 54 -1.062 5.474 -2.640 1.00 0.00 C ATOM 778 CZ PHE A 54 -0.984 4.455 -1.711 1.00 0.00 C ATOM 0 H PHE A 54 1.964 6.592 -4.798 1.00 0.00 H new ATOM 0 HA PHE A 54 4.340 6.994 -3.316 1.00 0.00 H new ATOM 0 HB2 PHE A 54 2.862 7.230 -1.445 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.051 7.934 -2.830 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.187 4.919 -0.673 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -0.036 7.085 -3.591 1.00 0.00 H new ATOM 0 HE1 PHE A 54 0.250 3.462 -0.276 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.976 5.632 -3.193 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.836 3.814 -1.538 1.00 0.00 H new ATOM 788 N SER A 55 4.410 4.911 -1.654 1.00 0.00 N ATOM 789 CA SER A 55 4.817 3.637 -1.074 1.00 0.00 C ATOM 790 C SER A 55 4.288 3.494 0.350 1.00 0.00 C ATOM 791 O SER A 55 3.744 4.440 0.920 1.00 0.00 O ATOM 792 CB SER A 55 6.342 3.514 -1.078 1.00 0.00 C ATOM 793 OG SER A 55 6.808 2.985 -2.307 1.00 0.00 O ATOM 0 H SER A 55 4.624 5.724 -1.077 1.00 0.00 H new ATOM 0 HA SER A 55 4.394 2.838 -1.682 1.00 0.00 H new ATOM 0 HB2 SER A 55 6.789 4.493 -0.907 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.660 2.871 -0.258 1.00 0.00 H new ATOM 0 HG SER A 55 7.785 2.918 -2.285 1.00 0.00 H new ATOM 799 N LEU A 56 4.452 2.304 0.918 1.00 0.00 N ATOM 800 CA LEU A 56 3.991 2.036 2.276 1.00 0.00 C ATOM 801 C LEU A 56 5.102 1.410 3.114 1.00 0.00 C ATOM 802 O LEU A 56 5.928 0.655 2.602 1.00 0.00 O ATOM 803 CB LEU A 56 2.774 1.110 2.249 1.00 0.00 C ATOM 804 CG LEU A 56 1.525 1.664 1.563 1.00 0.00 C ATOM 805 CD1 LEU A 56 0.463 0.583 1.433 1.00 0.00 C ATOM 806 CD2 LEU A 56 0.980 2.859 2.332 1.00 0.00 C ATOM 0 H LEU A 56 4.900 1.510 0.460 1.00 0.00 H new ATOM 0 HA LEU A 56 3.708 2.985 2.731 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.058 0.184 1.749 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.516 0.852 3.276 1.00 0.00 H new ATOM 0 HG LEU A 56 1.801 1.996 0.562 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.418 0.996 0.942 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.855 -0.243 0.839 1.00 0.00 H new ATOM 0 HD13 LEU A 56 0.190 0.220 2.424 1.00 0.00 H new ATOM 0 HD21 LEU A 56 0.091 3.240 1.829 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.720 2.552 3.345 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.738 3.642 2.373 1.00 0.00 H new ATOM 818 N ALA A 57 5.113 1.727 4.405 1.00 0.00 N ATOM 819 CA ALA A 57 6.118 1.192 5.314 1.00 0.00 C ATOM 820 C ALA A 57 5.595 1.147 6.746 1.00 0.00 C ATOM 821 O ALA A 57 4.500 1.631 7.034 1.00 0.00 O ATOM 822 CB ALA A 57 7.391 2.023 5.241 1.00 0.00 C ATOM 0 H ALA A 57 4.437 2.352 4.844 1.00 0.00 H new ATOM 0 HA ALA A 57 6.345 0.171 5.006 1.00 0.00 H new ATOM 0 HB1 ALA A 57 8.133 1.612 5.925 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.783 2.000 4.224 1.00 0.00 H new ATOM 0 HB3 ALA A 57 7.170 3.053 5.521 1.00 0.00 H new ATOM 828 N THR A 58 6.384 0.561 7.641 1.00 0.00 N ATOM 829 CA THR A 58 6.000 0.450 9.043 1.00 0.00 C ATOM 830 C THR A 58 6.428 1.684 9.829 1.00 0.00 C ATOM 831 O THR A 58 6.942 2.646 9.260 1.00 0.00 O ATOM 832 CB THR A 58 6.615 -0.801 9.697 1.00 0.00 C ATOM 833 OG1 THR A 58 8.022 -0.848 9.437 1.00 0.00 O ATOM 834 CG2 THR A 58 5.954 -2.067 9.172 1.00 0.00 C ATOM 0 H THR A 58 7.293 0.156 7.420 1.00 0.00 H new ATOM 0 HA THR A 58 4.914 0.366 9.068 1.00 0.00 H new ATOM 0 HB THR A 58 6.447 -0.742 10.772 1.00 0.00 H new ATOM 0 HG1 THR A 58 8.235 -1.663 8.936 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.405 -2.937 9.648 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.888 -2.041 9.398 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.095 -2.130 8.093 1.00 0.00 H new ATOM 842 N MET A 59 6.214 1.648 11.140 1.00 0.00 N ATOM 843 CA MET A 59 6.580 2.764 12.005 1.00 0.00 C ATOM 844 C MET A 59 7.654 2.346 13.005 1.00 0.00 C ATOM 845 O MET A 59 8.679 3.014 13.145 1.00 0.00 O ATOM 846 CB MET A 59 5.349 3.286 12.748 1.00 0.00 C ATOM 847 CG MET A 59 4.539 4.294 11.949 1.00 0.00 C ATOM 848 SD MET A 59 5.146 5.981 12.140 1.00 0.00 S ATOM 849 CE MET A 59 4.714 6.304 13.848 1.00 0.00 C ATOM 0 H MET A 59 5.789 0.859 11.627 1.00 0.00 H new ATOM 0 HA MET A 59 6.982 3.561 11.379 1.00 0.00 H new ATOM 0 HB2 MET A 59 4.709 2.444 13.010 1.00 0.00 H new ATOM 0 HB3 MET A 59 5.667 3.747 13.683 1.00 0.00 H new ATOM 0 HG2 MET A 59 4.564 4.020 10.894 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.497 4.249 12.265 1.00 0.00 H new ATOM 0 HE1 MET A 59 4.602 7.378 13.998 1.00 0.00 H new ATOM 0 HE2 MET A 59 3.775 5.805 14.086 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.501 5.926 14.500 1.00 0.00 H new ATOM 859 N PHE A 60 7.411 1.239 13.699 1.00 0.00 N ATOM 860 CA PHE A 60 8.357 0.734 14.687 1.00 0.00 C ATOM 861 C PHE A 60 9.593 0.150 14.009 1.00 0.00 C ATOM 862 O PHE A 60 10.696 0.689 14.101 1.00 0.00 O ATOM 863 CB PHE A 60 7.692 -0.330 15.563 1.00 0.00 C ATOM 864 CG PHE A 60 7.160 0.209 16.861 1.00 0.00 C ATOM 865 CD1 PHE A 60 8.012 0.452 17.926 1.00 0.00 C ATOM 866 CD2 PHE A 60 5.809 0.473 17.014 1.00 0.00 C ATOM 867 CE1 PHE A 60 7.526 0.948 19.121 1.00 0.00 C ATOM 868 CE2 PHE A 60 5.317 0.970 18.207 1.00 0.00 C ATOM 869 CZ PHE A 60 6.177 1.206 19.262 1.00 0.00 C ATOM 0 H PHE A 60 6.568 0.675 13.595 1.00 0.00 H new ATOM 0 HA PHE A 60 8.669 1.569 15.314 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.874 -0.788 15.007 1.00 0.00 H new ATOM 0 HB3 PHE A 60 8.414 -1.118 15.775 1.00 0.00 H new ATOM 0 HD1 PHE A 60 9.068 0.252 17.821 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.132 0.289 16.193 1.00 0.00 H new ATOM 0 HE1 PHE A 60 8.201 1.134 19.944 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.262 1.173 18.314 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.795 1.592 20.196 1.00 0.00 H new ATOM 879 N PRO A 61 9.406 -0.980 13.311 1.00 0.00 N ATOM 880 CA PRO A 61 10.493 -1.663 12.603 1.00 0.00 C ATOM 881 C PRO A 61 10.977 -0.878 11.389 1.00 0.00 C ATOM 882 O PRO A 61 11.995 -1.216 10.785 1.00 0.00 O ATOM 883 CB PRO A 61 9.857 -2.985 12.166 1.00 0.00 C ATOM 884 CG PRO A 61 8.398 -2.695 12.086 1.00 0.00 C ATOM 885 CD PRO A 61 8.118 -1.678 13.158 1.00 0.00 C ATOM 0 HA PRO A 61 11.375 -1.786 13.232 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.249 -3.314 11.203 1.00 0.00 H new ATOM 0 HB3 PRO A 61 10.064 -3.780 12.883 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.130 -2.309 11.102 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.811 -3.600 12.244 1.00 0.00 H new ATOM 0 HD2 PRO A 61 7.322 -0.993 12.864 1.00 0.00 H new ATOM 0 HD3 PRO A 61 7.804 -2.151 14.089 1.00 0.00 H new ATOM 893 N ARG A 62 10.242 0.172 11.038 1.00 0.00 N ATOM 894 CA ARG A 62 10.598 1.005 9.895 1.00 0.00 C ATOM 895 C ARG A 62 11.238 0.169 8.791 1.00 0.00 C ATOM 896 O ARG A 62 12.345 0.463 8.339 1.00 0.00 O ATOM 897 CB ARG A 62 11.554 2.119 10.326 1.00 0.00 C ATOM 898 CG ARG A 62 11.725 3.212 9.284 1.00 0.00 C ATOM 899 CD ARG A 62 10.392 3.843 8.915 1.00 0.00 C ATOM 900 NE ARG A 62 10.540 5.240 8.515 1.00 0.00 N ATOM 901 CZ ARG A 62 9.561 6.135 8.593 1.00 0.00 C ATOM 902 NH1 ARG A 62 8.370 5.780 9.054 1.00 0.00 N ATOM 903 NH2 ARG A 62 9.773 7.387 8.210 1.00 0.00 N ATOM 0 H ARG A 62 9.397 0.466 11.528 1.00 0.00 H new ATOM 0 HA ARG A 62 9.684 1.452 9.505 1.00 0.00 H new ATOM 0 HB2 ARG A 62 11.186 2.564 11.250 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.529 1.684 10.547 1.00 0.00 H new ATOM 0 HG2 ARG A 62 12.398 3.979 9.667 1.00 0.00 H new ATOM 0 HG3 ARG A 62 12.191 2.795 8.391 1.00 0.00 H new ATOM 0 HD2 ARG A 62 9.937 3.279 8.101 1.00 0.00 H new ATOM 0 HD3 ARG A 62 9.713 3.779 9.765 1.00 0.00 H new ATOM 0 HE ARG A 62 11.445 5.545 8.156 1.00 0.00 H new ATOM 0 HH11 ARG A 62 8.204 4.818 9.350 1.00 0.00 H new ATOM 0 HH12 ARG A 62 7.620 6.469 9.113 1.00 0.00 H new ATOM 0 HH21 ARG A 62 10.688 7.664 7.855 1.00 0.00 H new ATOM 0 HH22 ARG A 62 9.021 8.073 8.270 1.00 0.00 H new ATOM 917 N ARG A 63 10.535 -0.874 8.362 1.00 0.00 N ATOM 918 CA ARG A 63 11.035 -1.753 7.312 1.00 0.00 C ATOM 919 C ARG A 63 10.147 -1.682 6.074 1.00 0.00 C ATOM 920 O ARG A 63 8.925 -1.790 6.168 1.00 0.00 O ATOM 921 CB ARG A 63 11.109 -3.195 7.818 1.00 0.00 C ATOM 922 CG ARG A 63 12.207 -4.016 7.161 1.00 0.00 C ATOM 923 CD ARG A 63 12.266 -5.425 7.730 1.00 0.00 C ATOM 924 NE ARG A 63 12.950 -5.466 9.019 1.00 0.00 N ATOM 925 CZ ARG A 63 12.748 -6.414 9.928 1.00 0.00 C ATOM 926 NH1 ARG A 63 11.886 -7.392 9.691 1.00 0.00 N ATOM 927 NH2 ARG A 63 13.409 -6.383 11.078 1.00 0.00 N ATOM 0 H ARG A 63 9.617 -1.131 8.726 1.00 0.00 H new ATOM 0 HA ARG A 63 12.036 -1.419 7.039 1.00 0.00 H new ATOM 0 HB2 ARG A 63 11.270 -3.185 8.896 1.00 0.00 H new ATOM 0 HB3 ARG A 63 10.149 -3.682 7.644 1.00 0.00 H new ATOM 0 HG2 ARG A 63 12.033 -4.064 6.086 1.00 0.00 H new ATOM 0 HG3 ARG A 63 13.168 -3.523 7.307 1.00 0.00 H new ATOM 0 HD2 ARG A 63 11.254 -5.813 7.844 1.00 0.00 H new ATOM 0 HD3 ARG A 63 12.780 -6.079 7.026 1.00 0.00 H new ATOM 0 HE ARG A 63 13.619 -4.727 9.234 1.00 0.00 H new ATOM 0 HH11 ARG A 63 11.375 -7.419 8.809 1.00 0.00 H new ATOM 0 HH12 ARG A 63 11.733 -8.118 10.391 1.00 0.00 H new ATOM 0 HH21 ARG A 63 14.073 -5.631 11.265 1.00 0.00 H new ATOM 0 HH22 ARG A 63 13.254 -7.111 11.775 1.00 0.00 H new ATOM 941 N GLU A 64 10.771 -1.499 4.914 1.00 0.00 N ATOM 942 CA GLU A 64 10.036 -1.412 3.658 1.00 0.00 C ATOM 943 C GLU A 64 9.457 -2.770 3.271 1.00 0.00 C ATOM 944 O GLU A 64 10.189 -3.684 2.892 1.00 0.00 O ATOM 945 CB GLU A 64 10.948 -0.898 2.542 1.00 0.00 C ATOM 946 CG GLU A 64 10.206 -0.159 1.441 1.00 0.00 C ATOM 947 CD GLU A 64 11.035 -0.005 0.181 1.00 0.00 C ATOM 948 OE1 GLU A 64 11.140 -0.986 -0.585 1.00 0.00 O ATOM 949 OE2 GLU A 64 11.578 1.098 -0.040 1.00 0.00 O ATOM 0 H GLU A 64 11.782 -1.408 4.819 1.00 0.00 H new ATOM 0 HA GLU A 64 9.213 -0.711 3.797 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.697 -0.233 2.973 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.484 -1.741 2.105 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.287 -0.695 1.204 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.915 0.827 1.803 1.00 0.00 H new ATOM 956 N PHE A 65 8.138 -2.894 3.370 1.00 0.00 N ATOM 957 CA PHE A 65 7.459 -4.140 3.032 1.00 0.00 C ATOM 958 C PHE A 65 7.980 -4.703 1.713 1.00 0.00 C ATOM 959 O PHE A 65 8.414 -3.957 0.834 1.00 0.00 O ATOM 960 CB PHE A 65 5.949 -3.916 2.943 1.00 0.00 C ATOM 961 CG PHE A 65 5.306 -3.625 4.269 1.00 0.00 C ATOM 962 CD1 PHE A 65 5.067 -4.645 5.176 1.00 0.00 C ATOM 963 CD2 PHE A 65 4.943 -2.332 4.610 1.00 0.00 C ATOM 964 CE1 PHE A 65 4.475 -4.381 6.397 1.00 0.00 C ATOM 965 CE2 PHE A 65 4.351 -2.062 5.830 1.00 0.00 C ATOM 966 CZ PHE A 65 4.118 -3.088 6.724 1.00 0.00 C ATOM 0 H PHE A 65 7.517 -2.147 3.682 1.00 0.00 H new ATOM 0 HA PHE A 65 7.665 -4.862 3.822 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.752 -3.087 2.263 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.484 -4.801 2.509 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.346 -5.658 4.926 1.00 0.00 H new ATOM 0 HD2 PHE A 65 5.125 -1.526 3.915 1.00 0.00 H new ATOM 0 HE1 PHE A 65 4.292 -5.185 7.094 1.00 0.00 H new ATOM 0 HE2 PHE A 65 4.071 -1.050 6.083 1.00 0.00 H new ATOM 0 HZ PHE A 65 3.657 -2.879 7.678 1.00 0.00 H new ATOM 976 N THR A 66 7.934 -6.025 1.580 1.00 0.00 N ATOM 977 CA THR A 66 8.402 -6.688 0.370 1.00 0.00 C ATOM 978 C THR A 66 7.244 -7.320 -0.394 1.00 0.00 C ATOM 979 O THR A 66 6.235 -7.706 0.198 1.00 0.00 O ATOM 980 CB THR A 66 9.443 -7.776 0.693 1.00 0.00 C ATOM 981 OG1 THR A 66 9.696 -8.573 -0.470 1.00 0.00 O ATOM 982 CG2 THR A 66 8.962 -8.667 1.828 1.00 0.00 C ATOM 0 H THR A 66 7.577 -6.658 2.296 1.00 0.00 H new ATOM 0 HA THR A 66 8.868 -5.922 -0.250 1.00 0.00 H new ATOM 0 HB THR A 66 10.364 -7.284 1.004 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.360 -9.261 -0.257 1.00 0.00 H new ATOM 0 HG21 THR A 66 9.714 -9.427 2.038 1.00 0.00 H new ATOM 0 HG22 THR A 66 8.798 -8.063 2.720 1.00 0.00 H new ATOM 0 HG23 THR A 66 8.028 -9.150 1.541 1.00 0.00 H new ATOM 990 N ARG A 67 7.395 -7.424 -1.710 1.00 0.00 N ATOM 991 CA ARG A 67 6.361 -8.009 -2.554 1.00 0.00 C ATOM 992 C ARG A 67 5.656 -9.156 -1.835 1.00 0.00 C ATOM 993 O ARG A 67 4.428 -9.193 -1.762 1.00 0.00 O ATOM 994 CB ARG A 67 6.967 -8.511 -3.866 1.00 0.00 C ATOM 995 CG ARG A 67 7.240 -7.406 -4.873 1.00 0.00 C ATOM 996 CD ARG A 67 5.967 -6.973 -5.584 1.00 0.00 C ATOM 997 NE ARG A 67 6.239 -6.437 -6.915 1.00 0.00 N ATOM 998 CZ ARG A 67 6.423 -7.195 -7.990 1.00 0.00 C ATOM 999 NH1 ARG A 67 6.364 -8.516 -7.890 1.00 0.00 N ATOM 1000 NH2 ARG A 67 6.666 -6.633 -9.167 1.00 0.00 N ATOM 0 H ARG A 67 8.224 -7.111 -2.215 1.00 0.00 H new ATOM 0 HA ARG A 67 5.626 -7.235 -2.774 1.00 0.00 H new ATOM 0 HB2 ARG A 67 7.900 -9.032 -3.650 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.291 -9.240 -4.313 1.00 0.00 H new ATOM 0 HG2 ARG A 67 7.683 -6.550 -4.364 1.00 0.00 H new ATOM 0 HG3 ARG A 67 7.968 -7.752 -5.607 1.00 0.00 H new ATOM 0 HD2 ARG A 67 5.291 -7.824 -5.667 1.00 0.00 H new ATOM 0 HD3 ARG A 67 5.457 -6.218 -4.986 1.00 0.00 H new ATOM 0 HE ARG A 67 6.291 -5.424 -7.025 1.00 0.00 H new ATOM 0 HH11 ARG A 67 6.177 -8.951 -6.987 1.00 0.00 H new ATOM 0 HH12 ARG A 67 6.505 -9.097 -8.716 1.00 0.00 H new ATOM 0 HH21 ARG A 67 6.712 -5.617 -9.247 1.00 0.00 H new ATOM 0 HH22 ARG A 67 6.807 -7.217 -9.991 1.00 0.00 H new ATOM 1014 N GLU A 68 6.443 -10.088 -1.307 1.00 0.00 N ATOM 1015 CA GLU A 68 5.893 -11.236 -0.595 1.00 0.00 C ATOM 1016 C GLU A 68 4.943 -10.787 0.511 1.00 0.00 C ATOM 1017 O GLU A 68 3.884 -11.380 0.713 1.00 0.00 O ATOM 1018 CB GLU A 68 7.021 -12.083 -0.002 1.00 0.00 C ATOM 1019 CG GLU A 68 7.865 -11.343 1.022 1.00 0.00 C ATOM 1020 CD GLU A 68 8.795 -12.264 1.787 1.00 0.00 C ATOM 1021 OE1 GLU A 68 9.233 -13.280 1.209 1.00 0.00 O ATOM 1022 OE2 GLU A 68 9.085 -11.967 2.965 1.00 0.00 O ATOM 0 H GLU A 68 7.462 -10.071 -1.359 1.00 0.00 H new ATOM 0 HA GLU A 68 5.331 -11.839 -1.308 1.00 0.00 H new ATOM 0 HB2 GLU A 68 6.591 -12.969 0.466 1.00 0.00 H new ATOM 0 HB3 GLU A 68 7.666 -12.430 -0.809 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.453 -10.577 0.517 1.00 0.00 H new ATOM 0 HG3 GLU A 68 7.209 -10.830 1.725 1.00 0.00 H new ATOM 1029 N ASP A 69 5.331 -9.736 1.225 1.00 0.00 N ATOM 1030 CA ASP A 69 4.515 -9.205 2.311 1.00 0.00 C ATOM 1031 C ASP A 69 3.110 -8.871 1.821 1.00 0.00 C ATOM 1032 O ASP A 69 2.144 -8.935 2.583 1.00 0.00 O ATOM 1033 CB ASP A 69 5.170 -7.959 2.908 1.00 0.00 C ATOM 1034 CG ASP A 69 6.498 -8.265 3.573 1.00 0.00 C ATOM 1035 OD1 ASP A 69 6.935 -9.433 3.516 1.00 0.00 O ATOM 1036 OD2 ASP A 69 7.100 -7.336 4.152 1.00 0.00 O ATOM 0 H ASP A 69 6.206 -9.235 1.071 1.00 0.00 H new ATOM 0 HA ASP A 69 4.439 -9.971 3.083 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.323 -7.220 2.121 1.00 0.00 H new ATOM 0 HB3 ASP A 69 4.496 -7.512 3.639 1.00 0.00 H new ATOM 1041 N TYR A 70 3.002 -8.514 0.546 1.00 0.00 N ATOM 1042 CA TYR A 70 1.716 -8.166 -0.044 1.00 0.00 C ATOM 1043 C TYR A 70 0.945 -9.419 -0.449 1.00 0.00 C ATOM 1044 O TYR A 70 -0.249 -9.361 -0.743 1.00 0.00 O ATOM 1045 CB TYR A 70 1.917 -7.262 -1.262 1.00 0.00 C ATOM 1046 CG TYR A 70 2.303 -5.844 -0.906 1.00 0.00 C ATOM 1047 CD1 TYR A 70 1.430 -5.021 -0.205 1.00 0.00 C ATOM 1048 CD2 TYR A 70 3.539 -5.327 -1.272 1.00 0.00 C ATOM 1049 CE1 TYR A 70 1.777 -3.725 0.121 1.00 0.00 C ATOM 1050 CE2 TYR A 70 3.896 -4.032 -0.948 1.00 0.00 C ATOM 1051 CZ TYR A 70 3.011 -3.235 -0.252 1.00 0.00 C ATOM 1052 OH TYR A 70 3.362 -1.944 0.071 1.00 0.00 O ATOM 0 H TYR A 70 3.790 -8.458 -0.099 1.00 0.00 H new ATOM 0 HA TYR A 70 1.135 -7.630 0.706 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.690 -7.691 -1.899 1.00 0.00 H new ATOM 0 HB3 TYR A 70 0.997 -7.244 -1.846 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.463 -5.402 0.090 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.233 -5.948 -1.819 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.086 -3.098 0.665 1.00 0.00 H new ATOM 0 HE2 TYR A 70 4.862 -3.646 -1.238 1.00 0.00 H new ATOM 0 HH TYR A 70 4.264 -1.757 -0.264 1.00 0.00 H new ATOM 1062 N LYS A 71 1.638 -10.553 -0.461 1.00 0.00 N ATOM 1063 CA LYS A 71 1.021 -11.823 -0.827 1.00 0.00 C ATOM 1064 C LYS A 71 0.488 -12.545 0.407 1.00 0.00 C ATOM 1065 O LYS A 71 -0.388 -13.403 0.305 1.00 0.00 O ATOM 1066 CB LYS A 71 2.032 -12.713 -1.555 1.00 0.00 C ATOM 1067 CG LYS A 71 2.618 -12.074 -2.802 1.00 0.00 C ATOM 1068 CD LYS A 71 1.598 -12.008 -3.926 1.00 0.00 C ATOM 1069 CE LYS A 71 2.267 -11.777 -5.272 1.00 0.00 C ATOM 1070 NZ LYS A 71 2.678 -13.056 -5.914 1.00 0.00 N ATOM 0 H LYS A 71 2.627 -10.619 -0.221 1.00 0.00 H new ATOM 0 HA LYS A 71 0.184 -11.613 -1.493 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.842 -12.963 -0.870 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.547 -13.649 -1.831 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.967 -11.069 -2.567 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.487 -12.645 -3.131 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.028 -12.936 -3.956 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.888 -11.204 -3.728 1.00 0.00 H new ATOM 0 HE2 LYS A 71 1.582 -11.244 -5.931 1.00 0.00 H new ATOM 0 HE3 LYS A 71 3.142 -11.140 -5.138 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.130 -12.856 -6.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 3.351 -13.554 -5.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 1.840 -13.653 -6.065 1.00 0.00 H new ATOM 1084 N ARG A 72 1.022 -12.190 1.571 1.00 0.00 N ATOM 1085 CA ARG A 72 0.600 -12.804 2.824 1.00 0.00 C ATOM 1086 C ARG A 72 -0.486 -11.971 3.498 1.00 0.00 C ATOM 1087 O ARG A 72 -0.369 -10.750 3.606 1.00 0.00 O ATOM 1088 CB ARG A 72 1.794 -12.964 3.767 1.00 0.00 C ATOM 1089 CG ARG A 72 2.481 -11.651 4.107 1.00 0.00 C ATOM 1090 CD ARG A 72 3.825 -11.884 4.779 1.00 0.00 C ATOM 1091 NE ARG A 72 4.702 -12.726 3.971 1.00 0.00 N ATOM 1092 CZ ARG A 72 4.727 -14.052 4.051 1.00 0.00 C ATOM 1093 NH1 ARG A 72 3.926 -14.683 4.898 1.00 0.00 N ATOM 1094 NH2 ARG A 72 5.554 -14.749 3.281 1.00 0.00 N ATOM 0 H ARG A 72 1.748 -11.480 1.672 1.00 0.00 H new ATOM 0 HA ARG A 72 0.191 -13.789 2.597 1.00 0.00 H new ATOM 0 HB2 ARG A 72 1.457 -13.438 4.689 1.00 0.00 H new ATOM 0 HB3 ARG A 72 2.520 -13.637 3.310 1.00 0.00 H new ATOM 0 HG2 ARG A 72 2.624 -11.068 3.197 1.00 0.00 H new ATOM 0 HG3 ARG A 72 1.841 -11.064 4.765 1.00 0.00 H new ATOM 0 HD2 ARG A 72 4.310 -10.925 4.961 1.00 0.00 H new ATOM 0 HD3 ARG A 72 3.668 -12.352 5.751 1.00 0.00 H new ATOM 0 HE ARG A 72 5.330 -12.271 3.308 1.00 0.00 H new ATOM 0 HH11 ARG A 72 3.289 -14.150 5.490 1.00 0.00 H new ATOM 0 HH12 ARG A 72 3.947 -15.701 4.958 1.00 0.00 H new ATOM 0 HH21 ARG A 72 6.171 -14.267 2.627 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.573 -15.767 3.343 1.00 0.00 H new ATOM 1108 N ARG A 73 -1.543 -12.640 3.950 1.00 0.00 N ATOM 1109 CA ARG A 73 -2.650 -11.961 4.612 1.00 0.00 C ATOM 1110 C ARG A 73 -2.136 -10.953 5.636 1.00 0.00 C ATOM 1111 O ARG A 73 -0.974 -11.001 6.041 1.00 0.00 O ATOM 1112 CB ARG A 73 -3.563 -12.979 5.298 1.00 0.00 C ATOM 1113 CG ARG A 73 -4.109 -14.040 4.356 1.00 0.00 C ATOM 1114 CD ARG A 73 -4.684 -15.222 5.120 1.00 0.00 C ATOM 1115 NE ARG A 73 -3.640 -16.125 5.598 1.00 0.00 N ATOM 1116 CZ ARG A 73 -3.858 -17.395 5.921 1.00 0.00 C ATOM 1117 NH1 ARG A 73 -5.075 -17.909 5.816 1.00 0.00 N ATOM 1118 NH2 ARG A 73 -2.856 -18.153 6.348 1.00 0.00 N ATOM 0 H ARG A 73 -1.655 -13.651 3.870 1.00 0.00 H new ATOM 0 HA ARG A 73 -3.220 -11.424 3.853 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.010 -13.467 6.100 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.397 -12.452 5.761 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -4.882 -13.603 3.724 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -3.314 -14.385 3.695 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.264 -14.858 5.968 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.371 -15.771 4.476 1.00 0.00 H new ATOM 0 HE ARG A 73 -2.692 -15.760 5.689 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -5.847 -17.329 5.487 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.240 -18.884 6.065 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.918 -17.761 6.428 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.024 -19.128 6.596 1.00 0.00 H new ATOM 1132 N LEU A 74 -3.009 -10.040 6.048 1.00 0.00 N ATOM 1133 CA LEU A 74 -2.644 -9.019 7.024 1.00 0.00 C ATOM 1134 C LEU A 74 -2.282 -9.651 8.364 1.00 0.00 C ATOM 1135 O LEU A 74 -1.176 -9.462 8.874 1.00 0.00 O ATOM 1136 CB LEU A 74 -3.794 -8.028 7.209 1.00 0.00 C ATOM 1137 CG LEU A 74 -3.922 -6.941 6.141 1.00 0.00 C ATOM 1138 CD1 LEU A 74 -5.363 -6.469 6.030 1.00 0.00 C ATOM 1139 CD2 LEU A 74 -2.999 -5.773 6.456 1.00 0.00 C ATOM 0 H LEU A 74 -3.974 -9.986 5.722 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.771 -8.487 6.647 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.728 -8.589 7.242 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.678 -7.544 8.179 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.625 -7.364 5.181 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.435 -5.696 5.265 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -6.001 -7.309 5.757 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.688 -6.063 6.988 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.103 -5.009 5.686 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.265 -5.350 7.425 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.967 -6.122 6.483 1.00 0.00 H new ATOM 1151 N LEU A 75 -3.219 -10.404 8.930 1.00 0.00 N ATOM 1152 CA LEU A 75 -2.999 -11.066 10.211 1.00 0.00 C ATOM 1153 C LEU A 75 -1.647 -11.772 10.233 1.00 0.00 C ATOM 1154 O LEU A 75 -1.054 -11.968 11.294 1.00 0.00 O ATOM 1155 CB LEU A 75 -4.117 -12.073 10.485 1.00 0.00 C ATOM 1156 CG LEU A 75 -3.909 -13.479 9.920 1.00 0.00 C ATOM 1157 CD1 LEU A 75 -5.013 -14.412 10.390 1.00 0.00 C ATOM 1158 CD2 LEU A 75 -3.853 -13.439 8.400 1.00 0.00 C ATOM 0 H LEU A 75 -4.139 -10.571 8.522 1.00 0.00 H new ATOM 0 HA LEU A 75 -3.004 -10.305 10.991 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.250 -12.153 11.564 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.046 -11.674 10.078 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.957 -13.861 10.289 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.848 -15.408 9.978 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -5.006 -14.464 11.479 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.978 -14.034 10.051 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.705 -14.448 8.015 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.789 -13.036 8.012 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -3.026 -12.804 8.083 1.00 0.00 H new ATOM 1170 N ASP A 76 -1.164 -12.151 9.054 1.00 0.00 N ATOM 1171 CA ASP A 76 0.121 -12.832 8.938 1.00 0.00 C ATOM 1172 C ASP A 76 1.268 -11.895 9.301 1.00 0.00 C ATOM 1173 O ASP A 76 2.256 -12.311 9.908 1.00 0.00 O ATOM 1174 CB ASP A 76 0.312 -13.366 7.517 1.00 0.00 C ATOM 1175 CG ASP A 76 1.156 -14.624 7.480 1.00 0.00 C ATOM 1176 OD1 ASP A 76 0.970 -15.490 8.361 1.00 0.00 O ATOM 1177 OD2 ASP A 76 2.003 -14.744 6.570 1.00 0.00 O ATOM 0 H ASP A 76 -1.642 -11.998 8.166 1.00 0.00 H new ATOM 0 HA ASP A 76 0.125 -13.669 9.636 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.663 -13.573 7.076 1.00 0.00 H new ATOM 0 HB3 ASP A 76 0.783 -12.598 6.904 1.00 0.00 H new ATOM 1182 N LEU A 77 1.131 -10.628 8.926 1.00 0.00 N ATOM 1183 CA LEU A 77 2.157 -9.630 9.211 1.00 0.00 C ATOM 1184 C LEU A 77 1.905 -8.959 10.557 1.00 0.00 C ATOM 1185 O LEU A 77 2.260 -7.798 10.758 1.00 0.00 O ATOM 1186 CB LEU A 77 2.195 -8.578 8.102 1.00 0.00 C ATOM 1187 CG LEU A 77 2.519 -9.092 6.699 1.00 0.00 C ATOM 1188 CD1 LEU A 77 1.835 -8.235 5.645 1.00 0.00 C ATOM 1189 CD2 LEU A 77 4.024 -9.116 6.474 1.00 0.00 C ATOM 0 H LEU A 77 0.320 -10.267 8.424 1.00 0.00 H new ATOM 0 HA LEU A 77 3.121 -10.138 9.254 1.00 0.00 H new ATOM 0 HB2 LEU A 77 1.227 -8.079 8.069 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.934 -7.823 8.370 1.00 0.00 H new ATOM 0 HG LEU A 77 2.142 -10.111 6.610 1.00 0.00 H new ATOM 0 HD11 LEU A 77 2.077 -8.616 4.653 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.756 -8.269 5.793 1.00 0.00 H new ATOM 0 HD13 LEU A 77 2.181 -7.205 5.733 1.00 0.00 H new ATOM 0 HD21 LEU A 77 4.236 -9.485 5.470 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.424 -8.108 6.583 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.491 -9.773 7.208 1.00 0.00 H new ATOM 1201 N GLU A 78 1.290 -9.698 11.475 1.00 0.00 N ATOM 1202 CA GLU A 78 0.992 -9.174 12.803 1.00 0.00 C ATOM 1203 C GLU A 78 0.234 -7.853 12.708 1.00 0.00 C ATOM 1204 O GLU A 78 0.508 -6.912 13.454 1.00 0.00 O ATOM 1205 CB GLU A 78 2.283 -8.977 13.600 1.00 0.00 C ATOM 1206 CG GLU A 78 3.224 -10.168 13.538 1.00 0.00 C ATOM 1207 CD GLU A 78 4.660 -9.795 13.853 1.00 0.00 C ATOM 1208 OE1 GLU A 78 5.114 -8.733 13.378 1.00 0.00 O ATOM 1209 OE2 GLU A 78 5.329 -10.564 14.574 1.00 0.00 O ATOM 0 H GLU A 78 0.989 -10.661 11.324 1.00 0.00 H new ATOM 0 HA GLU A 78 0.363 -9.899 13.319 1.00 0.00 H new ATOM 0 HB2 GLU A 78 2.801 -8.095 13.224 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.030 -8.778 14.641 1.00 0.00 H new ATOM 0 HG2 GLU A 78 2.888 -10.929 14.242 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.178 -10.611 12.543 1.00 0.00 H new ATOM 1216 N LEU A 79 -0.721 -7.791 11.786 1.00 0.00 N ATOM 1217 CA LEU A 79 -1.520 -6.586 11.592 1.00 0.00 C ATOM 1218 C LEU A 79 -2.984 -6.843 11.933 1.00 0.00 C ATOM 1219 O LEU A 79 -3.807 -5.928 11.908 1.00 0.00 O ATOM 1220 CB LEU A 79 -1.398 -6.096 10.148 1.00 0.00 C ATOM 1221 CG LEU A 79 0.015 -6.070 9.565 1.00 0.00 C ATOM 1222 CD1 LEU A 79 -0.014 -5.607 8.117 1.00 0.00 C ATOM 1223 CD2 LEU A 79 0.919 -5.171 10.396 1.00 0.00 C ATOM 0 H LEU A 79 -0.961 -8.561 11.161 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.140 -5.816 12.263 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -2.018 -6.732 9.516 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.812 -5.089 10.091 1.00 0.00 H new ATOM 0 HG LEU A 79 0.418 -7.082 9.594 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.000 -5.595 7.719 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.627 -6.290 7.529 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.437 -4.604 8.064 1.00 0.00 H new ATOM 0 HD21 LEU A 79 1.921 -5.165 9.966 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.519 -4.157 10.400 1.00 0.00 H new ATOM 0 HD23 LEU A 79 0.965 -5.547 11.418 1.00 0.00 H new ATOM 1235 N ALA A 80 -3.302 -8.093 12.252 1.00 0.00 N ATOM 1236 CA ALA A 80 -4.666 -8.470 12.602 1.00 0.00 C ATOM 1237 C ALA A 80 -5.310 -7.423 13.504 1.00 0.00 C ATOM 1238 O ALA A 80 -6.342 -6.837 13.178 1.00 0.00 O ATOM 1239 CB ALA A 80 -4.680 -9.833 13.277 1.00 0.00 C ATOM 0 H ALA A 80 -2.633 -8.863 12.275 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.249 -8.527 11.683 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.705 -10.102 13.533 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.268 -10.579 12.598 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -4.077 -9.796 14.184 1.00 0.00 H new ATOM 1245 N PRO A 81 -4.688 -7.181 14.668 1.00 0.00 N ATOM 1246 CA PRO A 81 -5.184 -6.204 15.642 1.00 0.00 C ATOM 1247 C PRO A 81 -5.034 -4.768 15.150 1.00 0.00 C ATOM 1248 O PRO A 81 -5.926 -4.230 14.494 1.00 0.00 O ATOM 1249 CB PRO A 81 -4.299 -6.444 16.867 1.00 0.00 C ATOM 1250 CG PRO A 81 -3.043 -7.029 16.319 1.00 0.00 C ATOM 1251 CD PRO A 81 -3.453 -7.842 15.122 1.00 0.00 C ATOM 0 HA PRO A 81 -6.249 -6.328 15.838 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.102 -5.515 17.401 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.777 -7.123 17.573 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.339 -6.246 16.037 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.546 -7.652 17.062 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.685 -7.834 14.348 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.629 -8.885 15.386 1.00 0.00 H new ATOM 1259 N SER A 82 -3.900 -4.152 15.472 1.00 0.00 N ATOM 1260 CA SER A 82 -3.635 -2.777 15.065 1.00 0.00 C ATOM 1261 C SER A 82 -2.412 -2.706 14.156 1.00 0.00 C ATOM 1262 O SER A 82 -1.509 -3.536 14.247 1.00 0.00 O ATOM 1263 CB SER A 82 -3.423 -1.892 16.295 1.00 0.00 C ATOM 1264 OG SER A 82 -4.416 -2.136 17.276 1.00 0.00 O ATOM 0 H SER A 82 -3.151 -4.584 16.013 1.00 0.00 H new ATOM 0 HA SER A 82 -4.500 -2.414 14.510 1.00 0.00 H new ATOM 0 HB2 SER A 82 -2.436 -2.081 16.717 1.00 0.00 H new ATOM 0 HB3 SER A 82 -3.448 -0.843 16.001 1.00 0.00 H new ATOM 0 HG SER A 82 -4.257 -1.560 18.052 1.00 0.00 H new ATOM 1270 N ALA A 83 -2.393 -1.707 13.279 1.00 0.00 N ATOM 1271 CA ALA A 83 -1.281 -1.525 12.354 1.00 0.00 C ATOM 1272 C ALA A 83 -1.152 -0.065 11.931 1.00 0.00 C ATOM 1273 O ALA A 83 -2.146 0.656 11.845 1.00 0.00 O ATOM 1274 CB ALA A 83 -1.458 -2.416 11.134 1.00 0.00 C ATOM 0 H ALA A 83 -3.134 -1.012 13.190 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.363 -1.810 12.868 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.620 -2.270 10.452 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.493 -3.459 11.447 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.388 -2.158 10.627 1.00 0.00 H new ATOM 1280 N SER A 84 0.078 0.364 11.669 1.00 0.00 N ATOM 1281 CA SER A 84 0.337 1.739 11.260 1.00 0.00 C ATOM 1282 C SER A 84 1.281 1.781 10.062 1.00 0.00 C ATOM 1283 O SER A 84 2.497 1.661 10.211 1.00 0.00 O ATOM 1284 CB SER A 84 0.933 2.536 12.422 1.00 0.00 C ATOM 1285 OG SER A 84 0.075 2.513 13.549 1.00 0.00 O ATOM 0 H SER A 84 0.911 -0.221 11.733 1.00 0.00 H new ATOM 0 HA SER A 84 -0.612 2.190 10.969 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.904 2.121 12.692 1.00 0.00 H new ATOM 0 HB3 SER A 84 1.102 3.567 12.111 1.00 0.00 H new ATOM 0 HG SER A 84 0.479 3.028 14.278 1.00 0.00 H new ATOM 1291 N VAL A 85 0.712 1.952 8.873 1.00 0.00 N ATOM 1292 CA VAL A 85 1.501 2.011 7.649 1.00 0.00 C ATOM 1293 C VAL A 85 1.722 3.453 7.206 1.00 0.00 C ATOM 1294 O VAL A 85 0.771 4.178 6.916 1.00 0.00 O ATOM 1295 CB VAL A 85 0.823 1.234 6.506 1.00 0.00 C ATOM 1296 CG1 VAL A 85 1.028 -0.263 6.683 1.00 0.00 C ATOM 1297 CG2 VAL A 85 -0.659 1.573 6.436 1.00 0.00 C ATOM 0 H VAL A 85 -0.293 2.052 8.732 1.00 0.00 H new ATOM 0 HA VAL A 85 2.463 1.550 7.871 1.00 0.00 H new ATOM 0 HB VAL A 85 1.285 1.531 5.564 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.542 -0.796 5.866 1.00 0.00 H new ATOM 0 HG12 VAL A 85 2.095 -0.487 6.679 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.595 -0.580 7.632 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.122 1.015 5.622 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.138 1.306 7.378 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.780 2.641 6.258 1.00 0.00 H new ATOM 1307 N VAL A 86 2.986 3.864 7.157 1.00 0.00 N ATOM 1308 CA VAL A 86 3.333 5.220 6.749 1.00 0.00 C ATOM 1309 C VAL A 86 3.362 5.346 5.229 1.00 0.00 C ATOM 1310 O VAL A 86 3.978 4.532 4.540 1.00 0.00 O ATOM 1311 CB VAL A 86 4.702 5.643 7.314 1.00 0.00 C ATOM 1312 CG1 VAL A 86 4.542 6.265 8.692 1.00 0.00 C ATOM 1313 CG2 VAL A 86 5.648 4.453 7.363 1.00 0.00 C ATOM 0 H VAL A 86 3.786 3.277 7.395 1.00 0.00 H new ATOM 0 HA VAL A 86 2.563 5.878 7.151 1.00 0.00 H new ATOM 0 HB VAL A 86 5.133 6.394 6.652 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.520 6.557 9.075 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.902 7.144 8.622 1.00 0.00 H new ATOM 0 HG13 VAL A 86 4.090 5.540 9.368 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.611 4.770 7.765 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.225 3.678 8.002 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.787 4.057 6.357 1.00 0.00 H new ATOM 1323 N LEU A 87 2.692 6.371 4.714 1.00 0.00 N ATOM 1324 CA LEU A 87 2.641 6.604 3.275 1.00 0.00 C ATOM 1325 C LEU A 87 3.828 7.445 2.817 1.00 0.00 C ATOM 1326 O LEU A 87 4.036 8.560 3.298 1.00 0.00 O ATOM 1327 CB LEU A 87 1.332 7.301 2.897 1.00 0.00 C ATOM 1328 CG LEU A 87 1.046 7.427 1.401 1.00 0.00 C ATOM 1329 CD1 LEU A 87 -0.452 7.408 1.140 1.00 0.00 C ATOM 1330 CD2 LEU A 87 1.670 8.699 0.844 1.00 0.00 C ATOM 0 H LEU A 87 2.177 7.053 5.271 1.00 0.00 H new ATOM 0 HA LEU A 87 2.689 5.637 2.774 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.508 6.758 3.359 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.338 8.301 3.331 1.00 0.00 H new ATOM 0 HG LEU A 87 1.493 6.573 0.892 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.636 7.499 0.069 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.873 6.470 1.502 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.923 8.242 1.661 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.456 8.772 -0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.252 9.565 1.358 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.749 8.672 0.997 1.00 0.00 H new ATOM 1342 N LEU A 88 4.604 6.906 1.883 1.00 0.00 N ATOM 1343 CA LEU A 88 5.770 7.608 1.357 1.00 0.00 C ATOM 1344 C LEU A 88 5.510 8.110 -0.059 1.00 0.00 C ATOM 1345 O LEU A 88 5.400 7.335 -1.009 1.00 0.00 O ATOM 1346 CB LEU A 88 6.991 6.687 1.368 1.00 0.00 C ATOM 1347 CG LEU A 88 7.464 6.215 2.744 1.00 0.00 C ATOM 1348 CD1 LEU A 88 8.323 4.967 2.614 1.00 0.00 C ATOM 1349 CD2 LEU A 88 8.232 7.322 3.452 1.00 0.00 C ATOM 0 H LEU A 88 4.447 5.985 1.474 1.00 0.00 H new ATOM 0 HA LEU A 88 5.965 8.468 1.997 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.764 5.809 0.763 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.817 7.205 0.880 1.00 0.00 H new ATOM 0 HG LEU A 88 6.588 5.967 3.343 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.650 4.646 3.603 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.741 4.172 2.148 1.00 0.00 H new ATOM 0 HD13 LEU A 88 9.194 5.188 1.997 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.561 6.969 4.429 1.00 0.00 H new ATOM 0 HD22 LEU A 88 9.101 7.601 2.856 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.585 8.190 3.579 1.00 0.00 H new ATOM 1361 N PRO A 89 5.412 9.440 -0.207 1.00 0.00 N ATOM 1362 CA PRO A 89 5.167 10.076 -1.505 1.00 0.00 C ATOM 1363 C PRO A 89 6.365 9.962 -2.441 1.00 0.00 C ATOM 1364 O PRO A 89 7.514 10.055 -2.010 1.00 0.00 O ATOM 1365 CB PRO A 89 4.912 11.540 -1.139 1.00 0.00 C ATOM 1366 CG PRO A 89 5.624 11.738 0.155 1.00 0.00 C ATOM 1367 CD PRO A 89 5.533 10.424 0.881 1.00 0.00 C ATOM 0 HA PRO A 89 4.342 9.606 -2.041 1.00 0.00 H new ATOM 0 HB2 PRO A 89 5.294 12.212 -1.907 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.846 11.743 -1.039 1.00 0.00 H new ATOM 0 HG2 PRO A 89 6.663 12.022 -0.011 1.00 0.00 H new ATOM 0 HG3 PRO A 89 5.164 12.538 0.736 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.417 10.241 1.492 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.672 10.393 1.549 1.00 0.00 H new ATOM 1375 N ALA A 90 6.089 9.761 -3.726 1.00 0.00 N ATOM 1376 CA ALA A 90 7.144 9.637 -4.724 1.00 0.00 C ATOM 1377 C ALA A 90 7.414 10.973 -5.406 1.00 0.00 C ATOM 1378 O ALA A 90 6.942 11.222 -6.515 1.00 0.00 O ATOM 1379 CB ALA A 90 6.774 8.581 -5.754 1.00 0.00 C ATOM 0 H ALA A 90 5.143 9.681 -4.100 1.00 0.00 H new ATOM 0 HA ALA A 90 8.057 9.328 -4.215 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.571 8.499 -6.493 1.00 0.00 H new ATOM 0 HB2 ALA A 90 6.639 7.620 -5.258 1.00 0.00 H new ATOM 0 HB3 ALA A 90 5.846 8.866 -6.250 1.00 0.00 H new