USER MOD reduce.3.24.130724 H: found=0, std=0, add=611, rem=0, adj=14 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 Set 1.1: A 17 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Set 1.2: A 84 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.784 USER MOD Single : A 28 ASN : amide:sc= -0.924 K(o=-0.92,f=-1.7) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0 K(o=0,f=-0.87) USER MOD Single : A 45 GLN : amide:sc= -2.88! C(o=-2.9!,f=-2.4!) USER MOD Single : A 46 THR OG1 : rot 65:sc= 1.26 USER MOD Single : A 49 ASN : amide:sc= -0.905 K(o=-0.9,f=-5.1!) USER MOD Single : A 50 THR OG1 : rot 92:sc= 1.22 USER MOD Single : A 51 TYR OH : rot 150:sc= -0.689 USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=-0.077) USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 2:sc= 0.0177 USER MOD Single : A 59 MET CE :methyl -140:sc= 0 (180deg=-0.0889) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 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 ----------------------------------------------------------------- ATOM 151 N ILE A 13 -11.832 -8.448 12.098 1.00 0.00 N ATOM 152 CA ILE A 13 -11.532 -7.182 11.442 1.00 0.00 C ATOM 153 C ILE A 13 -10.115 -6.719 11.763 1.00 0.00 C ATOM 154 O ILE A 13 -9.556 -7.072 12.801 1.00 0.00 O ATOM 155 CB ILE A 13 -12.526 -6.082 11.860 1.00 0.00 C ATOM 156 CG1 ILE A 13 -13.965 -6.580 11.706 1.00 0.00 C ATOM 157 CG2 ILE A 13 -12.303 -4.825 11.032 1.00 0.00 C ATOM 158 CD1 ILE A 13 -14.368 -6.828 10.269 1.00 0.00 C ATOM 0 HA ILE A 13 -11.622 -7.353 10.369 1.00 0.00 H new ATOM 0 HB ILE A 13 -12.356 -5.838 12.909 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -14.084 -7.503 12.273 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -14.643 -5.848 12.144 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -13.013 -4.057 11.339 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -11.287 -4.463 11.187 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -12.450 -5.054 9.976 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -15.399 -7.179 10.236 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -14.282 -5.901 9.702 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -13.714 -7.583 9.833 1.00 0.00 H new ATOM 170 N ALA A 14 -9.540 -5.925 10.866 1.00 0.00 N ATOM 171 CA ALA A 14 -8.190 -5.409 11.055 1.00 0.00 C ATOM 172 C ALA A 14 -8.177 -3.885 11.047 1.00 0.00 C ATOM 173 O ALA A 14 -8.906 -3.253 10.282 1.00 0.00 O ATOM 174 CB ALA A 14 -7.262 -5.953 9.978 1.00 0.00 C ATOM 0 H ALA A 14 -9.989 -5.625 10.000 1.00 0.00 H new ATOM 0 HA ALA A 14 -7.834 -5.743 12.030 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -6.257 -5.560 10.131 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -7.238 -7.041 10.034 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -7.625 -5.648 8.997 1.00 0.00 H new ATOM 180 N ARG A 15 -7.346 -3.300 11.903 1.00 0.00 N ATOM 181 CA ARG A 15 -7.241 -1.849 11.996 1.00 0.00 C ATOM 182 C ARG A 15 -5.949 -1.355 11.352 1.00 0.00 C ATOM 183 O ARG A 15 -4.872 -1.458 11.940 1.00 0.00 O ATOM 184 CB ARG A 15 -7.297 -1.404 13.458 1.00 0.00 C ATOM 185 CG ARG A 15 -8.703 -1.100 13.949 1.00 0.00 C ATOM 186 CD ARG A 15 -8.705 -0.681 15.411 1.00 0.00 C ATOM 187 NE ARG A 15 -9.999 -0.917 16.046 1.00 0.00 N ATOM 188 CZ ARG A 15 -11.025 -0.078 15.958 1.00 0.00 C ATOM 189 NH1 ARG A 15 -10.908 1.046 15.265 1.00 0.00 N ATOM 190 NH2 ARG A 15 -12.170 -0.363 16.564 1.00 0.00 N ATOM 0 H ARG A 15 -6.735 -3.809 12.542 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.084 -1.414 11.459 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -6.864 -2.185 14.083 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -6.678 -0.516 13.582 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -9.138 -0.306 13.341 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -9.332 -1.981 13.821 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -7.932 -1.232 15.947 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -8.452 0.377 15.485 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.122 -1.773 16.587 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -10.029 1.268 14.798 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -11.697 1.689 15.199 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -12.263 -1.227 17.098 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -12.957 0.282 16.496 1.00 0.00 H new ATOM 204 N ILE A 16 -6.064 -0.819 10.141 1.00 0.00 N ATOM 205 CA ILE A 16 -4.905 -0.310 9.419 1.00 0.00 C ATOM 206 C ILE A 16 -4.925 1.214 9.352 1.00 0.00 C ATOM 207 O ILE A 16 -5.852 1.808 8.805 1.00 0.00 O ATOM 208 CB ILE A 16 -4.841 -0.874 7.987 1.00 0.00 C ATOM 209 CG1 ILE A 16 -5.279 -2.340 7.973 1.00 0.00 C ATOM 210 CG2 ILE A 16 -3.436 -0.729 7.423 1.00 0.00 C ATOM 211 CD1 ILE A 16 -4.313 -3.265 8.681 1.00 0.00 C ATOM 0 H ILE A 16 -6.948 -0.726 9.640 1.00 0.00 H new ATOM 0 HA ILE A 16 -4.022 -0.636 9.969 1.00 0.00 H new ATOM 0 HB ILE A 16 -5.524 -0.305 7.357 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -6.259 -2.423 8.443 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -5.392 -2.667 6.940 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -3.407 -1.132 6.411 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -3.159 0.325 7.402 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -2.733 -1.276 8.052 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -4.687 -4.288 8.632 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -3.337 -3.211 8.198 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -4.218 -2.963 9.724 1.00 0.00 H new ATOM 223 N GLN A 17 -3.894 1.838 9.913 1.00 0.00 N ATOM 224 CA GLN A 17 -3.793 3.293 9.916 1.00 0.00 C ATOM 225 C GLN A 17 -2.920 3.780 8.765 1.00 0.00 C ATOM 226 O GLN A 17 -1.819 3.272 8.548 1.00 0.00 O ATOM 227 CB GLN A 17 -3.222 3.782 11.248 1.00 0.00 C ATOM 228 CG GLN A 17 -3.302 5.290 11.427 1.00 0.00 C ATOM 229 CD GLN A 17 -3.371 5.702 12.884 1.00 0.00 C ATOM 230 OE1 GLN A 17 -2.780 5.058 13.752 1.00 0.00 O ATOM 231 NE2 GLN A 17 -4.095 6.780 13.161 1.00 0.00 N ATOM 0 H GLN A 17 -3.118 1.360 10.371 1.00 0.00 H new ATOM 0 HA GLN A 17 -4.795 3.703 9.786 1.00 0.00 H new ATOM 0 HB2 GLN A 17 -3.760 3.299 12.064 1.00 0.00 H new ATOM 0 HB3 GLN A 17 -2.180 3.470 11.324 1.00 0.00 H new ATOM 0 HG2 GLN A 17 -2.431 5.754 10.963 1.00 0.00 H new ATOM 0 HG3 GLN A 17 -4.181 5.668 10.905 1.00 0.00 H new ATOM 0 HE21 GLN A 17 -4.568 7.283 12.410 1.00 0.00 H new ATOM 0 HE22 GLN A 17 -4.178 7.105 14.124 1.00 0.00 H new ATOM 240 N PHE A 18 -3.417 4.769 8.028 1.00 0.00 N ATOM 241 CA PHE A 18 -2.683 5.324 6.898 1.00 0.00 C ATOM 242 C PHE A 18 -2.215 6.745 7.198 1.00 0.00 C ATOM 243 O PHE A 18 -3.023 7.668 7.297 1.00 0.00 O ATOM 244 CB PHE A 18 -3.557 5.318 5.642 1.00 0.00 C ATOM 245 CG PHE A 18 -3.866 3.938 5.134 1.00 0.00 C ATOM 246 CD1 PHE A 18 -4.963 3.239 5.613 1.00 0.00 C ATOM 247 CD2 PHE A 18 -3.061 3.341 4.178 1.00 0.00 C ATOM 248 CE1 PHE A 18 -5.251 1.970 5.147 1.00 0.00 C ATOM 249 CE2 PHE A 18 -3.344 2.072 3.709 1.00 0.00 C ATOM 250 CZ PHE A 18 -4.440 1.386 4.195 1.00 0.00 C ATOM 0 H PHE A 18 -4.326 5.202 8.194 1.00 0.00 H new ATOM 0 HA PHE A 18 -1.806 4.700 6.725 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -4.492 5.835 5.857 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -3.054 5.882 4.856 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -5.600 3.691 6.359 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -2.203 3.873 3.795 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -6.109 1.436 5.527 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -2.709 1.617 2.963 1.00 0.00 H new ATOM 0 HZ PHE A 18 -4.662 0.394 3.831 1.00 0.00 H new ATOM 260 N ARG A 19 -0.904 6.912 7.344 1.00 0.00 N ATOM 261 CA ARG A 19 -0.328 8.219 7.635 1.00 0.00 C ATOM 262 C ARG A 19 0.070 8.937 6.348 1.00 0.00 C ATOM 263 O ARG A 19 0.692 8.348 5.463 1.00 0.00 O ATOM 264 CB ARG A 19 0.891 8.071 8.547 1.00 0.00 C ATOM 265 CG ARG A 19 0.571 7.443 9.894 1.00 0.00 C ATOM 266 CD ARG A 19 1.510 7.946 10.979 1.00 0.00 C ATOM 267 NE ARG A 19 1.163 9.294 11.422 1.00 0.00 N ATOM 268 CZ ARG A 19 0.068 9.580 12.117 1.00 0.00 C ATOM 269 NH1 ARG A 19 -0.781 8.618 12.448 1.00 0.00 N ATOM 270 NH2 ARG A 19 -0.178 10.832 12.483 1.00 0.00 N ATOM 0 H ARG A 19 -0.221 6.158 7.265 1.00 0.00 H new ATOM 0 HA ARG A 19 -1.084 8.816 8.145 1.00 0.00 H new ATOM 0 HB2 ARG A 19 1.641 7.463 8.041 1.00 0.00 H new ATOM 0 HB3 ARG A 19 1.334 9.054 8.710 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -0.459 7.671 10.168 1.00 0.00 H new ATOM 0 HG3 ARG A 19 0.648 6.358 9.819 1.00 0.00 H new ATOM 0 HD2 ARG A 19 1.478 7.265 11.830 1.00 0.00 H new ATOM 0 HD3 ARG A 19 2.533 7.940 10.604 1.00 0.00 H new ATOM 0 HE ARG A 19 1.796 10.057 11.185 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -0.594 7.655 12.169 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -1.621 8.841 12.982 1.00 0.00 H new ATOM 0 HH21 ARG A 19 0.474 11.575 12.230 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -1.019 11.051 13.017 1.00 0.00 H new ATOM 284 N LEU A 20 -0.294 10.211 6.251 1.00 0.00 N ATOM 285 CA LEU A 20 0.024 11.009 5.073 1.00 0.00 C ATOM 286 C LEU A 20 1.087 12.055 5.394 1.00 0.00 C ATOM 287 O LEU A 20 1.202 12.531 6.524 1.00 0.00 O ATOM 288 CB LEU A 20 -1.236 11.693 4.540 1.00 0.00 C ATOM 289 CG LEU A 20 -2.275 10.776 3.894 1.00 0.00 C ATOM 290 CD1 LEU A 20 -3.493 11.575 3.457 1.00 0.00 C ATOM 291 CD2 LEU A 20 -1.670 10.033 2.712 1.00 0.00 C ATOM 0 H LEU A 20 -0.809 10.713 6.974 1.00 0.00 H new ATOM 0 HA LEU A 20 0.418 10.340 4.308 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.712 12.225 5.363 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -0.936 12.442 3.807 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.594 10.042 4.634 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -4.222 10.906 2.999 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -3.940 12.060 4.325 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -3.191 12.332 2.733 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -2.424 9.385 2.265 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -1.323 10.752 1.970 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.829 9.429 3.054 1.00 0.00 H new ATOM 303 N PRO A 21 1.881 12.424 4.378 1.00 0.00 N ATOM 304 CA PRO A 21 2.946 13.420 4.528 1.00 0.00 C ATOM 305 C PRO A 21 2.399 14.827 4.740 1.00 0.00 C ATOM 306 O PRO A 21 3.143 15.749 5.074 1.00 0.00 O ATOM 307 CB PRO A 21 3.701 13.335 3.199 1.00 0.00 C ATOM 308 CG PRO A 21 2.697 12.819 2.226 1.00 0.00 C ATOM 309 CD PRO A 21 1.800 11.898 3.005 1.00 0.00 C ATOM 0 HA PRO A 21 3.568 13.223 5.401 1.00 0.00 H new ATOM 0 HB2 PRO A 21 4.081 14.311 2.896 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.560 12.668 3.273 1.00 0.00 H new ATOM 0 HG2 PRO A 21 2.127 13.636 1.783 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.184 12.289 1.407 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.778 11.918 2.627 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.140 10.864 2.950 1.00 0.00 H new ATOM 317 N ASP A 22 1.095 14.985 4.545 1.00 0.00 N ATOM 318 CA ASP A 22 0.447 16.281 4.716 1.00 0.00 C ATOM 319 C ASP A 22 0.160 16.554 6.189 1.00 0.00 C ATOM 320 O ASP A 22 0.428 17.644 6.692 1.00 0.00 O ATOM 321 CB ASP A 22 -0.853 16.336 3.912 1.00 0.00 C ATOM 322 CG ASP A 22 -1.454 17.727 3.878 1.00 0.00 C ATOM 323 OD1 ASP A 22 -2.173 18.087 4.833 1.00 0.00 O ATOM 324 OD2 ASP A 22 -1.205 18.456 2.896 1.00 0.00 O ATOM 0 H ASP A 22 0.465 14.232 4.268 1.00 0.00 H new ATOM 0 HA ASP A 22 1.126 17.050 4.347 1.00 0.00 H new ATOM 0 HB2 ASP A 22 -0.661 16.001 2.893 1.00 0.00 H new ATOM 0 HB3 ASP A 22 -1.574 15.642 4.345 1.00 0.00 H new ATOM 329 N GLY A 23 -0.387 15.555 6.876 1.00 0.00 N ATOM 330 CA GLY A 23 -0.702 15.709 8.284 1.00 0.00 C ATOM 331 C GLY A 23 -1.883 14.858 8.710 1.00 0.00 C ATOM 332 O GLY A 23 -1.849 14.220 9.762 1.00 0.00 O ATOM 0 H GLY A 23 -0.617 14.643 6.482 1.00 0.00 H new ATOM 0 HA2 GLY A 23 0.170 15.439 8.880 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -0.919 16.757 8.492 1.00 0.00 H new ATOM 336 N SER A 24 -2.930 14.849 7.891 1.00 0.00 N ATOM 337 CA SER A 24 -4.129 14.075 8.191 1.00 0.00 C ATOM 338 C SER A 24 -3.915 12.598 7.874 1.00 0.00 C ATOM 339 O SER A 24 -2.968 12.232 7.178 1.00 0.00 O ATOM 340 CB SER A 24 -5.320 14.612 7.397 1.00 0.00 C ATOM 341 OG SER A 24 -6.537 14.389 8.089 1.00 0.00 O ATOM 0 H SER A 24 -2.972 15.369 7.015 1.00 0.00 H new ATOM 0 HA SER A 24 -4.338 14.173 9.256 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.190 15.679 7.218 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.359 14.128 6.421 1.00 0.00 H new ATOM 0 HG SER A 24 -7.283 14.743 7.561 1.00 0.00 H new ATOM 347 N SER A 25 -4.803 11.754 8.389 1.00 0.00 N ATOM 348 CA SER A 25 -4.711 10.316 8.165 1.00 0.00 C ATOM 349 C SER A 25 -6.099 9.693 8.060 1.00 0.00 C ATOM 350 O SER A 25 -7.107 10.343 8.338 1.00 0.00 O ATOM 351 CB SER A 25 -3.924 9.651 9.296 1.00 0.00 C ATOM 352 OG SER A 25 -4.432 10.033 10.563 1.00 0.00 O ATOM 0 H SER A 25 -5.595 12.041 8.964 1.00 0.00 H new ATOM 0 HA SER A 25 -4.187 10.153 7.223 1.00 0.00 H new ATOM 0 HB2 SER A 25 -3.976 8.567 9.191 1.00 0.00 H new ATOM 0 HB3 SER A 25 -2.872 9.928 9.224 1.00 0.00 H new ATOM 0 HG SER A 25 -3.914 9.594 11.269 1.00 0.00 H new ATOM 358 N PHE A 26 -6.143 8.427 7.658 1.00 0.00 N ATOM 359 CA PHE A 26 -7.407 7.714 7.515 1.00 0.00 C ATOM 360 C PHE A 26 -7.217 6.217 7.743 1.00 0.00 C ATOM 361 O PHE A 26 -6.297 5.606 7.198 1.00 0.00 O ATOM 362 CB PHE A 26 -8.001 7.958 6.126 1.00 0.00 C ATOM 363 CG PHE A 26 -7.066 7.605 5.005 1.00 0.00 C ATOM 364 CD1 PHE A 26 -6.882 6.285 4.627 1.00 0.00 C ATOM 365 CD2 PHE A 26 -6.371 8.595 4.328 1.00 0.00 C ATOM 366 CE1 PHE A 26 -6.023 5.957 3.595 1.00 0.00 C ATOM 367 CE2 PHE A 26 -5.511 8.273 3.295 1.00 0.00 C ATOM 368 CZ PHE A 26 -5.336 6.953 2.929 1.00 0.00 C ATOM 0 H PHE A 26 -5.318 7.874 7.426 1.00 0.00 H new ATOM 0 HA PHE A 26 -8.096 8.094 8.269 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -8.916 7.374 6.023 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -8.281 9.008 6.038 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -7.416 5.502 5.145 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -6.503 9.629 4.611 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -5.889 4.924 3.310 1.00 0.00 H new ATOM 0 HE2 PHE A 26 -4.976 9.053 2.774 1.00 0.00 H new ATOM 0 HZ PHE A 26 -4.663 6.700 2.123 1.00 0.00 H new ATOM 378 N THR A 27 -8.092 5.632 8.555 1.00 0.00 N ATOM 379 CA THR A 27 -8.020 4.208 8.858 1.00 0.00 C ATOM 380 C THR A 27 -9.306 3.495 8.456 1.00 0.00 C ATOM 381 O THR A 27 -10.366 3.736 9.031 1.00 0.00 O ATOM 382 CB THR A 27 -7.758 3.965 10.356 1.00 0.00 C ATOM 383 OG1 THR A 27 -6.591 4.683 10.772 1.00 0.00 O ATOM 384 CG2 THR A 27 -7.576 2.482 10.640 1.00 0.00 C ATOM 0 H THR A 27 -8.859 6.123 9.015 1.00 0.00 H new ATOM 0 HA THR A 27 -7.188 3.804 8.281 1.00 0.00 H new ATOM 0 HB THR A 27 -8.622 4.322 10.916 1.00 0.00 H new ATOM 0 HG1 THR A 27 -6.432 4.525 11.726 1.00 0.00 H new ATOM 0 HG21 THR A 27 -7.392 2.335 11.704 1.00 0.00 H new ATOM 0 HG22 THR A 27 -8.478 1.943 10.350 1.00 0.00 H new ATOM 0 HG23 THR A 27 -6.728 2.104 10.070 1.00 0.00 H new ATOM 392 N ASN A 28 -9.204 2.615 7.465 1.00 0.00 N ATOM 393 CA ASN A 28 -10.360 1.866 6.986 1.00 0.00 C ATOM 394 C ASN A 28 -10.481 0.530 7.712 1.00 0.00 C ATOM 395 O ASN A 28 -9.713 0.239 8.628 1.00 0.00 O ATOM 396 CB ASN A 28 -10.252 1.631 5.478 1.00 0.00 C ATOM 397 CG ASN A 28 -11.610 1.490 4.817 1.00 0.00 C ATOM 398 OD1 ASN A 28 -12.540 2.238 5.117 1.00 0.00 O ATOM 399 ND2 ASN A 28 -11.729 0.527 3.910 1.00 0.00 N ATOM 0 H ASN A 28 -8.333 2.403 6.978 1.00 0.00 H new ATOM 0 HA ASN A 28 -11.254 2.454 7.193 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -9.713 2.461 5.021 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.666 0.730 5.294 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -12.618 0.385 3.431 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -10.931 -0.070 3.692 1.00 0.00 H new ATOM 406 N GLN A 29 -11.452 -0.278 7.296 1.00 0.00 N ATOM 407 CA GLN A 29 -11.673 -1.583 7.908 1.00 0.00 C ATOM 408 C GLN A 29 -11.426 -2.704 6.904 1.00 0.00 C ATOM 409 O GLN A 29 -12.071 -2.767 5.857 1.00 0.00 O ATOM 410 CB GLN A 29 -13.099 -1.678 8.455 1.00 0.00 C ATOM 411 CG GLN A 29 -13.233 -1.199 9.891 1.00 0.00 C ATOM 412 CD GLN A 29 -14.664 -0.865 10.264 1.00 0.00 C ATOM 413 OE1 GLN A 29 -15.068 0.298 10.243 1.00 0.00 O ATOM 414 NE2 GLN A 29 -15.440 -1.886 10.608 1.00 0.00 N ATOM 0 H GLN A 29 -12.097 -0.052 6.539 1.00 0.00 H new ATOM 0 HA GLN A 29 -10.967 -1.695 8.731 1.00 0.00 H new ATOM 0 HB2 GLN A 29 -13.762 -1.089 7.821 1.00 0.00 H new ATOM 0 HB3 GLN A 29 -13.435 -2.713 8.393 1.00 0.00 H new ATOM 0 HG2 GLN A 29 -12.857 -1.970 10.564 1.00 0.00 H new ATOM 0 HG3 GLN A 29 -12.609 -0.317 10.036 1.00 0.00 H new ATOM 0 HE21 GLN A 29 -15.064 -2.834 10.612 1.00 0.00 H new ATOM 0 HE22 GLN A 29 -16.412 -1.722 10.869 1.00 0.00 H new ATOM 423 N PHE A 30 -10.487 -3.586 7.229 1.00 0.00 N ATOM 424 CA PHE A 30 -10.153 -4.705 6.355 1.00 0.00 C ATOM 425 C PHE A 30 -10.141 -6.018 7.132 1.00 0.00 C ATOM 426 O PHE A 30 -9.803 -6.065 8.315 1.00 0.00 O ATOM 427 CB PHE A 30 -8.791 -4.476 5.697 1.00 0.00 C ATOM 428 CG PHE A 30 -8.655 -3.125 5.053 1.00 0.00 C ATOM 429 CD1 PHE A 30 -9.121 -2.907 3.767 1.00 0.00 C ATOM 430 CD2 PHE A 30 -8.062 -2.075 5.735 1.00 0.00 C ATOM 431 CE1 PHE A 30 -8.998 -1.665 3.172 1.00 0.00 C ATOM 432 CE2 PHE A 30 -7.937 -0.831 5.145 1.00 0.00 C ATOM 433 CZ PHE A 30 -8.405 -0.627 3.861 1.00 0.00 C ATOM 0 H PHE A 30 -9.944 -3.548 8.091 1.00 0.00 H new ATOM 0 HA PHE A 30 -10.917 -4.769 5.580 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -8.010 -4.592 6.448 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -8.626 -5.247 4.944 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -9.586 -3.716 3.223 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -7.693 -2.230 6.738 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -9.366 -1.507 2.169 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -7.474 -0.020 5.687 1.00 0.00 H new ATOM 0 HZ PHE A 30 -8.307 0.343 3.397 1.00 0.00 H new ATOM 443 N PRO A 31 -10.518 -7.111 6.452 1.00 0.00 N ATOM 444 CA PRO A 31 -10.560 -8.445 7.058 1.00 0.00 C ATOM 445 C PRO A 31 -9.167 -8.990 7.354 1.00 0.00 C ATOM 446 O PRO A 31 -8.305 -9.029 6.476 1.00 0.00 O ATOM 447 CB PRO A 31 -11.252 -9.297 5.992 1.00 0.00 C ATOM 448 CG PRO A 31 -10.978 -8.594 4.708 1.00 0.00 C ATOM 449 CD PRO A 31 -10.933 -7.128 5.040 1.00 0.00 C ATOM 0 HA PRO A 31 -11.074 -8.441 8.019 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -10.857 -10.313 5.979 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -12.323 -9.374 6.180 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -10.034 -8.925 4.275 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -11.756 -8.804 3.974 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -10.225 -6.594 4.407 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -11.905 -6.654 4.901 1.00 0.00 H new ATOM 457 N SER A 32 -8.953 -9.412 8.597 1.00 0.00 N ATOM 458 CA SER A 32 -7.663 -9.952 9.009 1.00 0.00 C ATOM 459 C SER A 32 -7.044 -10.790 7.895 1.00 0.00 C ATOM 460 O SER A 32 -5.822 -10.872 7.771 1.00 0.00 O ATOM 461 CB SER A 32 -7.823 -10.801 10.272 1.00 0.00 C ATOM 462 OG SER A 32 -8.694 -11.895 10.045 1.00 0.00 O ATOM 0 H SER A 32 -9.656 -9.390 9.335 1.00 0.00 H new ATOM 0 HA SER A 32 -6.998 -9.115 9.223 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.848 -11.169 10.592 1.00 0.00 H new ATOM 0 HB3 SER A 32 -8.213 -10.184 11.082 1.00 0.00 H new ATOM 0 HG SER A 32 -8.778 -12.422 10.867 1.00 0.00 H new ATOM 468 N ASP A 33 -7.896 -11.410 7.086 1.00 0.00 N ATOM 469 CA ASP A 33 -7.434 -12.241 5.981 1.00 0.00 C ATOM 470 C ASP A 33 -6.870 -11.382 4.853 1.00 0.00 C ATOM 471 O ASP A 33 -5.812 -11.681 4.301 1.00 0.00 O ATOM 472 CB ASP A 33 -8.578 -13.109 5.454 1.00 0.00 C ATOM 473 CG ASP A 33 -9.931 -12.443 5.614 1.00 0.00 C ATOM 474 OD1 ASP A 33 -10.409 -12.340 6.763 1.00 0.00 O ATOM 475 OD2 ASP A 33 -10.511 -12.025 4.590 1.00 0.00 O ATOM 0 H ASP A 33 -8.910 -11.353 7.175 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.639 -12.887 6.353 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.407 -13.330 4.400 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -8.581 -14.062 5.983 1.00 0.00 H new ATOM 480 N ALA A 34 -7.585 -10.313 4.517 1.00 0.00 N ATOM 481 CA ALA A 34 -7.155 -9.409 3.457 1.00 0.00 C ATOM 482 C ALA A 34 -5.650 -9.170 3.516 1.00 0.00 C ATOM 483 O ALA A 34 -5.096 -8.798 4.550 1.00 0.00 O ATOM 484 CB ALA A 34 -7.906 -8.089 3.552 1.00 0.00 C ATOM 0 H ALA A 34 -8.464 -10.052 4.963 1.00 0.00 H new ATOM 0 HA ALA A 34 -7.384 -9.876 2.499 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -7.575 -7.424 2.755 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -8.976 -8.271 3.452 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -7.706 -7.625 4.518 1.00 0.00 H new ATOM 490 N PRO A 35 -4.971 -9.388 2.380 1.00 0.00 N ATOM 491 CA PRO A 35 -3.520 -9.202 2.277 1.00 0.00 C ATOM 492 C PRO A 35 -3.117 -7.734 2.351 1.00 0.00 C ATOM 493 O PRO A 35 -3.873 -6.851 1.942 1.00 0.00 O ATOM 494 CB PRO A 35 -3.186 -9.780 0.900 1.00 0.00 C ATOM 495 CG PRO A 35 -4.448 -9.654 0.119 1.00 0.00 C ATOM 496 CD PRO A 35 -5.566 -9.833 1.109 1.00 0.00 C ATOM 0 HA PRO A 35 -2.988 -9.684 3.097 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -2.372 -9.231 0.427 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -2.868 -10.820 0.974 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -4.510 -8.681 -0.368 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -4.498 -10.408 -0.667 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.438 -9.236 0.843 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -5.894 -10.871 1.161 1.00 0.00 H new ATOM 504 N LEU A 36 -1.923 -7.478 2.874 1.00 0.00 N ATOM 505 CA LEU A 36 -1.419 -6.115 3.001 1.00 0.00 C ATOM 506 C LEU A 36 -1.847 -5.264 1.810 1.00 0.00 C ATOM 507 O LEU A 36 -2.339 -4.149 1.978 1.00 0.00 O ATOM 508 CB LEU A 36 0.106 -6.123 3.116 1.00 0.00 C ATOM 509 CG LEU A 36 0.743 -4.854 3.681 1.00 0.00 C ATOM 510 CD1 LEU A 36 2.235 -4.829 3.388 1.00 0.00 C ATOM 511 CD2 LEU A 36 0.065 -3.617 3.111 1.00 0.00 C ATOM 0 H LEU A 36 -1.286 -8.197 3.217 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.843 -5.679 3.906 1.00 0.00 H new ATOM 0 HB2 LEU A 36 0.398 -6.963 3.745 1.00 0.00 H new ATOM 0 HB3 LEU A 36 0.524 -6.306 2.126 1.00 0.00 H new ATOM 0 HG LEU A 36 0.606 -4.853 4.762 1.00 0.00 H new ATOM 0 HD11 LEU A 36 2.671 -3.918 3.798 1.00 0.00 H new ATOM 0 HD12 LEU A 36 2.710 -5.697 3.846 1.00 0.00 H new ATOM 0 HD13 LEU A 36 2.395 -4.854 2.310 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.532 -2.723 3.525 1.00 0.00 H new ATOM 0 HD22 LEU A 36 0.170 -3.612 2.026 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -0.993 -3.628 3.373 1.00 0.00 H new ATOM 523 N GLU A 37 -1.656 -5.798 0.608 1.00 0.00 N ATOM 524 CA GLU A 37 -2.023 -5.086 -0.611 1.00 0.00 C ATOM 525 C GLU A 37 -3.375 -4.397 -0.451 1.00 0.00 C ATOM 526 O GLU A 37 -3.523 -3.218 -0.774 1.00 0.00 O ATOM 527 CB GLU A 37 -2.067 -6.051 -1.798 1.00 0.00 C ATOM 528 CG GLU A 37 -2.138 -5.355 -3.146 1.00 0.00 C ATOM 529 CD GLU A 37 -1.868 -6.296 -4.304 1.00 0.00 C ATOM 530 OE1 GLU A 37 -0.821 -6.976 -4.283 1.00 0.00 O ATOM 531 OE2 GLU A 37 -2.704 -6.353 -5.230 1.00 0.00 O ATOM 0 H GLU A 37 -1.250 -6.720 0.452 1.00 0.00 H new ATOM 0 HA GLU A 37 -1.266 -4.325 -0.799 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.181 -6.686 -1.772 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.932 -6.706 -1.691 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -3.125 -4.908 -3.268 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.414 -4.540 -3.169 1.00 0.00 H new ATOM 538 N GLU A 38 -4.357 -5.141 0.047 1.00 0.00 N ATOM 539 CA GLU A 38 -5.697 -4.601 0.248 1.00 0.00 C ATOM 540 C GLU A 38 -5.634 -3.185 0.813 1.00 0.00 C ATOM 541 O GLU A 38 -6.412 -2.314 0.423 1.00 0.00 O ATOM 542 CB GLU A 38 -6.498 -5.502 1.190 1.00 0.00 C ATOM 543 CG GLU A 38 -7.126 -6.700 0.498 1.00 0.00 C ATOM 544 CD GLU A 38 -8.236 -6.307 -0.458 1.00 0.00 C ATOM 545 OE1 GLU A 38 -9.318 -5.908 0.021 1.00 0.00 O ATOM 546 OE2 GLU A 38 -8.022 -6.398 -1.685 1.00 0.00 O ATOM 0 H GLU A 38 -4.251 -6.118 0.319 1.00 0.00 H new ATOM 0 HA GLU A 38 -6.195 -4.565 -0.721 1.00 0.00 H new ATOM 0 HB2 GLU A 38 -5.843 -5.855 1.986 1.00 0.00 H new ATOM 0 HB3 GLU A 38 -7.284 -4.913 1.662 1.00 0.00 H new ATOM 0 HG2 GLU A 38 -6.356 -7.243 -0.049 1.00 0.00 H new ATOM 0 HG3 GLU A 38 -7.524 -7.382 1.250 1.00 0.00 H new ATOM 553 N ALA A 39 -4.703 -2.963 1.735 1.00 0.00 N ATOM 554 CA ALA A 39 -4.537 -1.653 2.353 1.00 0.00 C ATOM 555 C ALA A 39 -3.977 -0.643 1.357 1.00 0.00 C ATOM 556 O ALA A 39 -4.337 0.534 1.383 1.00 0.00 O ATOM 557 CB ALA A 39 -3.630 -1.755 3.570 1.00 0.00 C ATOM 0 H ALA A 39 -4.052 -3.673 2.070 1.00 0.00 H new ATOM 0 HA ALA A 39 -5.518 -1.303 2.673 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -3.515 -0.770 4.022 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -4.071 -2.438 4.296 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -2.653 -2.131 3.265 1.00 0.00 H new ATOM 563 N ARG A 40 -3.094 -1.111 0.480 1.00 0.00 N ATOM 564 CA ARG A 40 -2.483 -0.247 -0.523 1.00 0.00 C ATOM 565 C ARG A 40 -3.526 0.253 -1.518 1.00 0.00 C ATOM 566 O ARG A 40 -3.456 1.389 -1.986 1.00 0.00 O ATOM 567 CB ARG A 40 -1.373 -0.996 -1.263 1.00 0.00 C ATOM 568 CG ARG A 40 -0.489 -0.094 -2.109 1.00 0.00 C ATOM 569 CD ARG A 40 0.902 -0.683 -2.284 1.00 0.00 C ATOM 570 NE ARG A 40 1.509 -0.286 -3.551 1.00 0.00 N ATOM 571 CZ ARG A 40 1.932 0.947 -3.809 1.00 0.00 C ATOM 572 NH1 ARG A 40 1.815 1.897 -2.892 1.00 0.00 N ATOM 573 NH2 ARG A 40 2.474 1.231 -4.987 1.00 0.00 N ATOM 0 H ARG A 40 -2.786 -2.083 0.444 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.053 0.614 -0.012 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.753 -1.520 -0.536 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.823 -1.754 -1.904 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -0.948 0.054 -3.086 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -0.414 0.887 -1.640 1.00 0.00 H new ATOM 0 HD2 ARG A 40 1.539 -0.360 -1.460 1.00 0.00 H new ATOM 0 HD3 ARG A 40 0.844 -1.770 -2.235 1.00 0.00 H new ATOM 0 HE ARG A 40 1.614 -0.994 -4.278 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.399 1.682 -1.986 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.141 2.843 -3.093 1.00 0.00 H new ATOM 0 HH21 ARG A 40 2.566 0.503 -5.695 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.798 2.178 -5.184 1.00 0.00 H new ATOM 587 N GLN A 41 -4.490 -0.605 -1.837 1.00 0.00 N ATOM 588 CA GLN A 41 -5.546 -0.250 -2.778 1.00 0.00 C ATOM 589 C GLN A 41 -6.364 0.928 -2.260 1.00 0.00 C ATOM 590 O GLN A 41 -6.484 1.956 -2.927 1.00 0.00 O ATOM 591 CB GLN A 41 -6.461 -1.451 -3.027 1.00 0.00 C ATOM 592 CG GLN A 41 -5.796 -2.570 -3.812 1.00 0.00 C ATOM 593 CD GLN A 41 -6.710 -3.762 -4.017 1.00 0.00 C ATOM 594 OE1 GLN A 41 -7.785 -3.844 -3.422 1.00 0.00 O ATOM 595 NE2 GLN A 41 -6.286 -4.694 -4.863 1.00 0.00 N ATOM 0 H GLN A 41 -4.562 -1.549 -1.458 1.00 0.00 H new ATOM 0 HA GLN A 41 -5.077 0.042 -3.718 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -6.801 -1.843 -2.068 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -7.347 -1.117 -3.567 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -5.479 -2.189 -4.783 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -4.897 -2.892 -3.287 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -5.388 -4.585 -5.334 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -6.858 -5.519 -5.042 1.00 0.00 H new ATOM 604 N PHE A 42 -6.925 0.773 -1.065 1.00 0.00 N ATOM 605 CA PHE A 42 -7.733 1.824 -0.457 1.00 0.00 C ATOM 606 C PHE A 42 -6.943 3.125 -0.353 1.00 0.00 C ATOM 607 O PHE A 42 -7.459 4.202 -0.652 1.00 0.00 O ATOM 608 CB PHE A 42 -8.210 1.391 0.930 1.00 0.00 C ATOM 609 CG PHE A 42 -9.093 2.403 1.603 1.00 0.00 C ATOM 610 CD1 PHE A 42 -10.379 2.635 1.142 1.00 0.00 C ATOM 611 CD2 PHE A 42 -8.637 3.122 2.696 1.00 0.00 C ATOM 612 CE1 PHE A 42 -11.195 3.565 1.759 1.00 0.00 C ATOM 613 CE2 PHE A 42 -9.448 4.053 3.317 1.00 0.00 C ATOM 614 CZ PHE A 42 -10.728 4.276 2.847 1.00 0.00 C ATOM 0 H PHE A 42 -6.835 -0.070 -0.498 1.00 0.00 H new ATOM 0 HA PHE A 42 -8.600 1.996 -1.094 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -8.752 0.449 0.842 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -7.342 1.201 1.561 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -10.748 2.083 0.291 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -7.637 2.953 3.067 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -12.196 3.735 1.391 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -9.081 4.606 4.169 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.362 5.005 3.330 1.00 0.00 H new ATOM 624 N ALA A 43 -5.689 3.017 0.073 1.00 0.00 N ATOM 625 CA ALA A 43 -4.828 4.184 0.215 1.00 0.00 C ATOM 626 C ALA A 43 -4.625 4.883 -1.124 1.00 0.00 C ATOM 627 O ALA A 43 -4.639 6.111 -1.203 1.00 0.00 O ATOM 628 CB ALA A 43 -3.487 3.780 0.811 1.00 0.00 C ATOM 0 H ALA A 43 -5.247 2.133 0.326 1.00 0.00 H new ATOM 0 HA ALA A 43 -5.317 4.886 0.890 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -2.853 4.661 0.912 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -3.645 3.333 1.792 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -3.001 3.057 0.156 1.00 0.00 H new ATOM 634 N ALA A 44 -4.435 4.094 -2.176 1.00 0.00 N ATOM 635 CA ALA A 44 -4.231 4.638 -3.513 1.00 0.00 C ATOM 636 C ALA A 44 -5.468 5.387 -3.996 1.00 0.00 C ATOM 637 O ALA A 44 -5.361 6.457 -4.594 1.00 0.00 O ATOM 638 CB ALA A 44 -3.872 3.525 -4.487 1.00 0.00 C ATOM 0 H ALA A 44 -4.418 3.075 -2.128 1.00 0.00 H new ATOM 0 HA ALA A 44 -3.404 5.347 -3.467 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -3.723 3.946 -5.481 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -2.955 3.036 -4.158 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -4.681 2.795 -4.520 1.00 0.00 H new ATOM 644 N GLN A 45 -6.639 4.818 -3.732 1.00 0.00 N ATOM 645 CA GLN A 45 -7.896 5.433 -4.142 1.00 0.00 C ATOM 646 C GLN A 45 -8.191 6.676 -3.308 1.00 0.00 C ATOM 647 O GLN A 45 -8.576 7.717 -3.841 1.00 0.00 O ATOM 648 CB GLN A 45 -9.045 4.432 -4.010 1.00 0.00 C ATOM 649 CG GLN A 45 -9.113 3.759 -2.649 1.00 0.00 C ATOM 650 CD GLN A 45 -10.252 2.764 -2.546 1.00 0.00 C ATOM 651 OE1 GLN A 45 -11.387 3.132 -2.240 1.00 0.00 O ATOM 652 NE2 GLN A 45 -9.956 1.495 -2.802 1.00 0.00 N ATOM 0 H GLN A 45 -6.744 3.933 -3.236 1.00 0.00 H new ATOM 0 HA GLN A 45 -7.802 5.732 -5.186 1.00 0.00 H new ATOM 0 HB2 GLN A 45 -9.987 4.946 -4.199 1.00 0.00 H new ATOM 0 HB3 GLN A 45 -8.939 3.667 -4.779 1.00 0.00 H new ATOM 0 HG2 GLN A 45 -8.170 3.248 -2.453 1.00 0.00 H new ATOM 0 HG3 GLN A 45 -9.229 4.520 -1.877 1.00 0.00 H new ATOM 0 HE21 GLN A 45 -9.002 1.234 -3.052 1.00 0.00 H new ATOM 0 HE22 GLN A 45 -10.683 0.781 -2.749 1.00 0.00 H new ATOM 661 N THR A 46 -8.008 6.560 -1.997 1.00 0.00 N ATOM 662 CA THR A 46 -8.256 7.673 -1.089 1.00 0.00 C ATOM 663 C THR A 46 -7.471 8.910 -1.509 1.00 0.00 C ATOM 664 O THR A 46 -8.038 9.989 -1.682 1.00 0.00 O ATOM 665 CB THR A 46 -7.883 7.309 0.361 1.00 0.00 C ATOM 666 OG1 THR A 46 -8.629 6.164 0.786 1.00 0.00 O ATOM 667 CG2 THR A 46 -8.157 8.476 1.298 1.00 0.00 C ATOM 0 H THR A 46 -7.689 5.706 -1.540 1.00 0.00 H new ATOM 0 HA THR A 46 -9.323 7.890 -1.138 1.00 0.00 H new ATOM 0 HB THR A 46 -6.818 7.080 0.393 1.00 0.00 H new ATOM 0 HG1 THR A 46 -8.373 5.388 0.246 1.00 0.00 H new ATOM 0 HG21 THR A 46 -7.886 8.196 2.316 1.00 0.00 H new ATOM 0 HG22 THR A 46 -7.565 9.338 0.989 1.00 0.00 H new ATOM 0 HG23 THR A 46 -9.216 8.731 1.261 1.00 0.00 H new ATOM 675 N VAL A 47 -6.161 8.747 -1.672 1.00 0.00 N ATOM 676 CA VAL A 47 -5.298 9.851 -2.074 1.00 0.00 C ATOM 677 C VAL A 47 -5.386 10.099 -3.575 1.00 0.00 C ATOM 678 O VAL A 47 -5.119 11.203 -4.049 1.00 0.00 O ATOM 679 CB VAL A 47 -3.829 9.582 -1.694 1.00 0.00 C ATOM 680 CG1 VAL A 47 -3.701 9.335 -0.199 1.00 0.00 C ATOM 681 CG2 VAL A 47 -3.282 8.404 -2.486 1.00 0.00 C ATOM 0 H VAL A 47 -5.675 7.861 -1.532 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.647 10.736 -1.542 1.00 0.00 H new ATOM 0 HB VAL A 47 -3.239 10.464 -1.944 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -2.657 9.147 0.051 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -4.052 10.211 0.346 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -4.302 8.470 0.080 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -2.244 8.228 -2.205 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -3.873 7.514 -2.269 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -3.337 8.625 -3.552 1.00 0.00 H new ATOM 691 N GLY A 48 -5.763 9.064 -4.320 1.00 0.00 N ATOM 692 CA GLY A 48 -5.880 9.190 -5.761 1.00 0.00 C ATOM 693 C GLY A 48 -4.545 9.451 -6.430 1.00 0.00 C ATOM 694 O GLY A 48 -3.523 8.898 -6.027 1.00 0.00 O ATOM 0 H GLY A 48 -5.989 8.140 -3.951 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -6.315 8.277 -6.168 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -6.566 10.003 -5.997 1.00 0.00 H new ATOM 698 N ASN A 49 -4.555 10.294 -7.458 1.00 0.00 N ATOM 699 CA ASN A 49 -3.336 10.624 -8.187 1.00 0.00 C ATOM 700 C ASN A 49 -2.690 11.886 -7.622 1.00 0.00 C ATOM 701 O ASN A 49 -2.240 12.755 -8.370 1.00 0.00 O ATOM 702 CB ASN A 49 -3.641 10.815 -9.673 1.00 0.00 C ATOM 703 CG ASN A 49 -4.370 9.628 -10.271 1.00 0.00 C ATOM 704 OD1 ASN A 49 -5.146 8.955 -9.591 1.00 0.00 O ATOM 705 ND2 ASN A 49 -4.124 9.364 -11.549 1.00 0.00 N ATOM 0 H ASN A 49 -5.393 10.761 -7.805 1.00 0.00 H new ATOM 0 HA ASN A 49 -2.637 9.796 -8.071 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -4.245 11.713 -9.805 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -2.709 10.976 -10.215 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -4.586 8.577 -12.005 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.474 9.948 -12.074 1.00 0.00 H new ATOM 712 N THR A 50 -2.646 11.981 -6.297 1.00 0.00 N ATOM 713 CA THR A 50 -2.056 13.135 -5.632 1.00 0.00 C ATOM 714 C THR A 50 -0.550 12.968 -5.474 1.00 0.00 C ATOM 715 O THR A 50 0.220 13.883 -5.767 1.00 0.00 O ATOM 716 CB THR A 50 -2.685 13.366 -4.244 1.00 0.00 C ATOM 717 OG1 THR A 50 -4.087 13.623 -4.378 1.00 0.00 O ATOM 718 CG2 THR A 50 -2.016 14.534 -3.535 1.00 0.00 C ATOM 0 H THR A 50 -3.013 11.271 -5.663 1.00 0.00 H new ATOM 0 HA THR A 50 -2.258 14.001 -6.263 1.00 0.00 H new ATOM 0 HB THR A 50 -2.537 12.466 -3.648 1.00 0.00 H new ATOM 0 HG1 THR A 50 -4.582 12.780 -4.307 1.00 0.00 H new ATOM 0 HG21 THR A 50 -2.476 14.678 -2.558 1.00 0.00 H new ATOM 0 HG22 THR A 50 -0.954 14.323 -3.408 1.00 0.00 H new ATOM 0 HG23 THR A 50 -2.138 15.439 -4.130 1.00 0.00 H new ATOM 726 N TYR A 51 -0.135 11.795 -5.010 1.00 0.00 N ATOM 727 CA TYR A 51 1.281 11.509 -4.811 1.00 0.00 C ATOM 728 C TYR A 51 1.867 10.793 -6.024 1.00 0.00 C ATOM 729 O TYR A 51 2.986 11.080 -6.448 1.00 0.00 O ATOM 730 CB TYR A 51 1.479 10.657 -3.556 1.00 0.00 C ATOM 731 CG TYR A 51 0.929 11.292 -2.299 1.00 0.00 C ATOM 732 CD1 TYR A 51 1.511 12.434 -1.763 1.00 0.00 C ATOM 733 CD2 TYR A 51 -0.172 10.751 -1.648 1.00 0.00 C ATOM 734 CE1 TYR A 51 1.013 13.018 -0.614 1.00 0.00 C ATOM 735 CE2 TYR A 51 -0.679 11.328 -0.500 1.00 0.00 C ATOM 736 CZ TYR A 51 -0.083 12.462 0.013 1.00 0.00 C ATOM 737 OH TYR A 51 -0.584 13.039 1.157 1.00 0.00 O ATOM 0 H TYR A 51 -0.759 11.026 -4.764 1.00 0.00 H new ATOM 0 HA TYR A 51 1.804 12.457 -4.684 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.999 9.690 -3.704 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.544 10.467 -3.421 1.00 0.00 H new ATOM 0 HD1 TYR A 51 2.368 12.873 -2.253 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.640 9.863 -2.047 1.00 0.00 H new ATOM 0 HE1 TYR A 51 1.479 13.904 -0.209 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -1.536 10.894 -0.007 1.00 0.00 H new ATOM 0 HH TYR A 51 -1.549 12.875 1.211 1.00 0.00 H new ATOM 747 N GLY A 52 1.102 9.857 -6.578 1.00 0.00 N ATOM 748 CA GLY A 52 1.561 9.113 -7.736 1.00 0.00 C ATOM 749 C GLY A 52 1.766 7.642 -7.437 1.00 0.00 C ATOM 750 O GLY A 52 0.812 6.922 -7.147 1.00 0.00 O ATOM 0 H GLY A 52 0.172 9.601 -6.245 1.00 0.00 H new ATOM 0 HA2 GLY A 52 0.836 9.219 -8.543 1.00 0.00 H new ATOM 0 HA3 GLY A 52 2.498 9.542 -8.092 1.00 0.00 H new ATOM 754 N ASN A 53 3.015 7.193 -7.510 1.00 0.00 N ATOM 755 CA ASN A 53 3.342 5.796 -7.246 1.00 0.00 C ATOM 756 C ASN A 53 3.897 5.624 -5.836 1.00 0.00 C ATOM 757 O ASN A 53 4.842 4.865 -5.617 1.00 0.00 O ATOM 758 CB ASN A 53 4.356 5.286 -8.272 1.00 0.00 C ATOM 759 CG ASN A 53 4.208 3.801 -8.543 1.00 0.00 C ATOM 760 OD1 ASN A 53 3.144 3.337 -8.952 1.00 0.00 O ATOM 761 ND2 ASN A 53 5.278 3.049 -8.314 1.00 0.00 N ATOM 0 H ASN A 53 3.817 7.776 -7.750 1.00 0.00 H new ATOM 0 HA ASN A 53 2.426 5.212 -7.329 1.00 0.00 H new ATOM 0 HB2 ASN A 53 4.233 5.837 -9.205 1.00 0.00 H new ATOM 0 HB3 ASN A 53 5.365 5.488 -7.913 1.00 0.00 H new ATOM 0 HD21 ASN A 53 5.239 2.043 -8.477 1.00 0.00 H new ATOM 0 HD22 ASN A 53 6.139 3.477 -7.975 1.00 0.00 H new ATOM 768 N PHE A 54 3.304 6.333 -4.881 1.00 0.00 N ATOM 769 CA PHE A 54 3.739 6.260 -3.491 1.00 0.00 C ATOM 770 C PHE A 54 3.850 4.809 -3.032 1.00 0.00 C ATOM 771 O PHE A 54 3.497 3.886 -3.766 1.00 0.00 O ATOM 772 CB PHE A 54 2.765 7.019 -2.589 1.00 0.00 C ATOM 773 CG PHE A 54 1.437 6.335 -2.430 1.00 0.00 C ATOM 774 CD1 PHE A 54 1.286 5.285 -1.539 1.00 0.00 C ATOM 775 CD2 PHE A 54 0.340 6.741 -3.174 1.00 0.00 C ATOM 776 CE1 PHE A 54 0.065 4.654 -1.390 1.00 0.00 C ATOM 777 CE2 PHE A 54 -0.883 6.113 -3.029 1.00 0.00 C ATOM 778 CZ PHE A 54 -1.020 5.068 -2.137 1.00 0.00 C ATOM 0 H PHE A 54 2.520 6.965 -5.045 1.00 0.00 H new ATOM 0 HA PHE A 54 4.724 6.722 -3.420 1.00 0.00 H new ATOM 0 HB2 PHE A 54 3.218 7.148 -1.606 1.00 0.00 H new ATOM 0 HB3 PHE A 54 2.604 8.016 -2.999 1.00 0.00 H new ATOM 0 HD1 PHE A 54 2.132 4.956 -0.954 1.00 0.00 H new ATOM 0 HD2 PHE A 54 0.442 7.557 -3.874 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.040 3.838 -0.690 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -1.731 6.440 -3.613 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.974 4.575 -2.024 1.00 0.00 H new ATOM 788 N SER A 55 4.343 4.616 -1.813 1.00 0.00 N ATOM 789 CA SER A 55 4.505 3.278 -1.257 1.00 0.00 C ATOM 790 C SER A 55 4.062 3.239 0.202 1.00 0.00 C ATOM 791 O SER A 55 3.670 4.259 0.772 1.00 0.00 O ATOM 792 CB SER A 55 5.963 2.828 -1.371 1.00 0.00 C ATOM 793 OG SER A 55 6.195 2.157 -2.597 1.00 0.00 O ATOM 0 H SER A 55 4.637 5.369 -1.192 1.00 0.00 H new ATOM 0 HA SER A 55 3.876 2.596 -1.828 1.00 0.00 H new ATOM 0 HB2 SER A 55 6.621 3.694 -1.296 1.00 0.00 H new ATOM 0 HB3 SER A 55 6.209 2.168 -0.539 1.00 0.00 H new ATOM 0 HG SER A 55 7.134 1.881 -2.646 1.00 0.00 H new ATOM 799 N LEU A 56 4.126 2.056 0.802 1.00 0.00 N ATOM 800 CA LEU A 56 3.732 1.882 2.196 1.00 0.00 C ATOM 801 C LEU A 56 4.846 1.218 2.999 1.00 0.00 C ATOM 802 O LEU A 56 5.577 0.372 2.483 1.00 0.00 O ATOM 803 CB LEU A 56 2.455 1.044 2.284 1.00 0.00 C ATOM 804 CG LEU A 56 1.257 1.560 1.487 1.00 0.00 C ATOM 805 CD1 LEU A 56 0.211 0.468 1.329 1.00 0.00 C ATOM 806 CD2 LEU A 56 0.655 2.784 2.162 1.00 0.00 C ATOM 0 H LEU A 56 4.447 1.202 0.345 1.00 0.00 H new ATOM 0 HA LEU A 56 3.543 2.868 2.620 1.00 0.00 H new ATOM 0 HB2 LEU A 56 2.683 0.034 1.945 1.00 0.00 H new ATOM 0 HB3 LEU A 56 2.164 0.970 3.332 1.00 0.00 H new ATOM 0 HG LEU A 56 1.603 1.850 0.495 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -0.634 0.854 0.759 1.00 0.00 H new ATOM 0 HD12 LEU A 56 0.647 -0.380 0.802 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -0.131 0.147 2.313 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -0.197 3.138 1.581 1.00 0.00 H new ATOM 0 HD22 LEU A 56 0.324 2.520 3.167 1.00 0.00 H new ATOM 0 HD23 LEU A 56 1.406 3.572 2.223 1.00 0.00 H new ATOM 818 N ALA A 57 4.969 1.606 4.264 1.00 0.00 N ATOM 819 CA ALA A 57 5.991 1.046 5.139 1.00 0.00 C ATOM 820 C ALA A 57 5.547 1.084 6.597 1.00 0.00 C ATOM 821 O ALA A 57 4.646 1.839 6.963 1.00 0.00 O ATOM 822 CB ALA A 57 7.304 1.795 4.965 1.00 0.00 C ATOM 0 H ALA A 57 4.373 2.306 4.706 1.00 0.00 H new ATOM 0 HA ALA A 57 6.141 0.003 4.860 1.00 0.00 H new ATOM 0 HB1 ALA A 57 8.058 1.366 5.625 1.00 0.00 H new ATOM 0 HB2 ALA A 57 7.637 1.711 3.930 1.00 0.00 H new ATOM 0 HB3 ALA A 57 7.159 2.846 5.215 1.00 0.00 H new ATOM 828 N THR A 58 6.185 0.264 7.427 1.00 0.00 N ATOM 829 CA THR A 58 5.854 0.204 8.845 1.00 0.00 C ATOM 830 C THR A 58 6.262 1.486 9.561 1.00 0.00 C ATOM 831 O THR A 58 6.732 2.435 8.933 1.00 0.00 O ATOM 832 CB THR A 58 6.539 -0.993 9.531 1.00 0.00 C ATOM 833 OG1 THR A 58 7.938 -0.998 9.226 1.00 0.00 O ATOM 834 CG2 THR A 58 5.912 -2.305 9.083 1.00 0.00 C ATOM 0 H THR A 58 6.933 -0.367 7.141 1.00 0.00 H new ATOM 0 HA THR A 58 4.773 0.083 8.912 1.00 0.00 H new ATOM 0 HB THR A 58 6.403 -0.893 10.608 1.00 0.00 H new ATOM 0 HG1 THR A 58 8.155 -0.220 8.672 1.00 0.00 H new ATOM 0 HG21 THR A 58 6.412 -3.136 9.581 1.00 0.00 H new ATOM 0 HG22 THR A 58 4.854 -2.310 9.343 1.00 0.00 H new ATOM 0 HG23 THR A 58 6.021 -2.410 8.004 1.00 0.00 H new ATOM 842 N MET A 59 6.079 1.508 10.877 1.00 0.00 N ATOM 843 CA MET A 59 6.431 2.675 11.678 1.00 0.00 C ATOM 844 C MET A 59 7.545 2.342 12.665 1.00 0.00 C ATOM 845 O MET A 59 8.568 3.026 12.716 1.00 0.00 O ATOM 846 CB MET A 59 5.204 3.192 12.431 1.00 0.00 C ATOM 847 CG MET A 59 4.401 4.220 11.652 1.00 0.00 C ATOM 848 SD MET A 59 4.962 5.908 11.947 1.00 0.00 S ATOM 849 CE MET A 59 4.273 6.216 13.571 1.00 0.00 C ATOM 0 H MET A 59 5.689 0.732 11.411 1.00 0.00 H new ATOM 0 HA MET A 59 6.789 3.453 11.003 1.00 0.00 H new ATOM 0 HB2 MET A 59 4.558 2.350 12.678 1.00 0.00 H new ATOM 0 HB3 MET A 59 5.526 3.634 13.374 1.00 0.00 H new ATOM 0 HG2 MET A 59 4.471 3.999 10.587 1.00 0.00 H new ATOM 0 HG3 MET A 59 3.349 4.138 11.926 1.00 0.00 H new ATOM 0 HE1 MET A 59 3.889 7.235 13.616 1.00 0.00 H new ATOM 0 HE2 MET A 59 3.462 5.513 13.761 1.00 0.00 H new ATOM 0 HE3 MET A 59 5.049 6.087 14.326 1.00 0.00 H new ATOM 859 N PHE A 60 7.341 1.287 13.446 1.00 0.00 N ATOM 860 CA PHE A 60 8.328 0.863 14.433 1.00 0.00 C ATOM 861 C PHE A 60 9.559 0.273 13.752 1.00 0.00 C ATOM 862 O PHE A 60 10.652 0.838 13.791 1.00 0.00 O ATOM 863 CB PHE A 60 7.717 -0.164 15.388 1.00 0.00 C ATOM 864 CG PHE A 60 7.206 0.436 16.667 1.00 0.00 C ATOM 865 CD1 PHE A 60 8.074 0.720 17.709 1.00 0.00 C ATOM 866 CD2 PHE A 60 5.859 0.714 16.827 1.00 0.00 C ATOM 867 CE1 PHE A 60 7.607 1.272 18.887 1.00 0.00 C ATOM 868 CE2 PHE A 60 5.386 1.267 18.002 1.00 0.00 C ATOM 869 CZ PHE A 60 6.261 1.545 19.034 1.00 0.00 C ATOM 0 H PHE A 60 6.501 0.709 13.415 1.00 0.00 H new ATOM 0 HA PHE A 60 8.635 1.740 15.003 1.00 0.00 H new ATOM 0 HB2 PHE A 60 6.897 -0.675 14.883 1.00 0.00 H new ATOM 0 HB3 PHE A 60 8.466 -0.919 15.624 1.00 0.00 H new ATOM 0 HD1 PHE A 60 9.127 0.508 17.600 1.00 0.00 H new ATOM 0 HD2 PHE A 60 5.170 0.496 16.024 1.00 0.00 H new ATOM 0 HE1 PHE A 60 8.294 1.490 19.692 1.00 0.00 H new ATOM 0 HE2 PHE A 60 4.333 1.482 18.113 1.00 0.00 H new ATOM 0 HZ PHE A 60 5.893 1.975 19.954 1.00 0.00 H new ATOM 879 N PRO A 61 9.379 -0.892 13.112 1.00 0.00 N ATOM 880 CA PRO A 61 10.463 -1.586 12.410 1.00 0.00 C ATOM 881 C PRO A 61 10.901 -0.849 11.149 1.00 0.00 C ATOM 882 O PRO A 61 11.918 -1.187 10.543 1.00 0.00 O ATOM 883 CB PRO A 61 9.844 -2.939 12.051 1.00 0.00 C ATOM 884 CG PRO A 61 8.378 -2.682 11.994 1.00 0.00 C ATOM 885 CD PRO A 61 8.103 -1.622 13.025 1.00 0.00 C ATOM 0 HA PRO A 61 11.362 -1.662 13.022 1.00 0.00 H new ATOM 0 HB2 PRO A 61 10.219 -3.305 11.095 1.00 0.00 H new ATOM 0 HB3 PRO A 61 10.085 -3.695 12.798 1.00 0.00 H new ATOM 0 HG2 PRO A 61 8.079 -2.347 11.001 1.00 0.00 H new ATOM 0 HG3 PRO A 61 7.814 -3.590 12.208 1.00 0.00 H new ATOM 0 HD2 PRO A 61 7.286 -0.968 12.721 1.00 0.00 H new ATOM 0 HD3 PRO A 61 7.823 -2.057 13.984 1.00 0.00 H new ATOM 893 N ARG A 62 10.128 0.159 10.759 1.00 0.00 N ATOM 894 CA ARG A 62 10.436 0.942 9.569 1.00 0.00 C ATOM 895 C ARG A 62 11.086 0.071 8.497 1.00 0.00 C ATOM 896 O ARG A 62 12.142 0.411 7.964 1.00 0.00 O ATOM 897 CB ARG A 62 11.363 2.106 9.925 1.00 0.00 C ATOM 898 CG ARG A 62 11.188 3.321 9.028 1.00 0.00 C ATOM 899 CD ARG A 62 11.890 3.131 7.692 1.00 0.00 C ATOM 900 NE ARG A 62 12.300 4.403 7.103 1.00 0.00 N ATOM 901 CZ ARG A 62 13.264 4.517 6.197 1.00 0.00 C ATOM 902 NH1 ARG A 62 13.914 3.441 5.777 1.00 0.00 N ATOM 903 NH2 ARG A 62 13.579 5.710 5.709 1.00 0.00 N ATOM 0 H ARG A 62 9.284 0.453 11.250 1.00 0.00 H new ATOM 0 HA ARG A 62 9.501 1.338 9.173 1.00 0.00 H new ATOM 0 HB2 ARG A 62 11.183 2.400 10.959 1.00 0.00 H new ATOM 0 HB3 ARG A 62 12.397 1.767 9.865 1.00 0.00 H new ATOM 0 HG2 ARG A 62 10.126 3.501 8.860 1.00 0.00 H new ATOM 0 HG3 ARG A 62 11.586 4.204 9.528 1.00 0.00 H new ATOM 0 HD2 ARG A 62 12.765 2.496 7.830 1.00 0.00 H new ATOM 0 HD3 ARG A 62 11.224 2.611 7.003 1.00 0.00 H new ATOM 0 HE ARG A 62 11.819 5.251 7.404 1.00 0.00 H new ATOM 0 HH11 ARG A 62 13.674 2.522 6.150 1.00 0.00 H new ATOM 0 HH12 ARG A 62 14.654 3.532 5.081 1.00 0.00 H new ATOM 0 HH21 ARG A 62 13.081 6.540 6.030 1.00 0.00 H new ATOM 0 HH22 ARG A 62 14.320 5.797 5.013 1.00 0.00 H new ATOM 917 N ARG A 63 10.447 -1.052 8.188 1.00 0.00 N ATOM 918 CA ARG A 63 10.963 -1.973 7.182 1.00 0.00 C ATOM 919 C ARG A 63 10.122 -1.914 5.910 1.00 0.00 C ATOM 920 O ARG A 63 8.918 -2.163 5.939 1.00 0.00 O ATOM 921 CB ARG A 63 10.981 -3.401 7.729 1.00 0.00 C ATOM 922 CG ARG A 63 12.086 -4.264 7.142 1.00 0.00 C ATOM 923 CD ARG A 63 12.353 -5.489 8.002 1.00 0.00 C ATOM 924 NE ARG A 63 13.137 -5.164 9.191 1.00 0.00 N ATOM 925 CZ ARG A 63 13.128 -5.894 10.300 1.00 0.00 C ATOM 926 NH1 ARG A 63 12.380 -6.987 10.372 1.00 0.00 N ATOM 927 NH2 ARG A 63 13.869 -5.533 11.340 1.00 0.00 N ATOM 0 H ARG A 63 9.571 -1.346 8.620 1.00 0.00 H new ATOM 0 HA ARG A 63 11.982 -1.672 6.938 1.00 0.00 H new ATOM 0 HB2 ARG A 63 11.097 -3.365 8.812 1.00 0.00 H new ATOM 0 HB3 ARG A 63 10.018 -3.871 7.527 1.00 0.00 H new ATOM 0 HG2 ARG A 63 11.808 -4.578 6.136 1.00 0.00 H new ATOM 0 HG3 ARG A 63 12.999 -3.676 7.051 1.00 0.00 H new ATOM 0 HD2 ARG A 63 11.405 -5.934 8.304 1.00 0.00 H new ATOM 0 HD3 ARG A 63 12.882 -6.237 7.412 1.00 0.00 H new ATOM 0 HE ARG A 63 13.724 -4.330 9.168 1.00 0.00 H new ATOM 0 HH11 ARG A 63 11.810 -7.268 9.574 1.00 0.00 H new ATOM 0 HH12 ARG A 63 12.375 -7.546 11.225 1.00 0.00 H new ATOM 0 HH21 ARG A 63 14.446 -4.694 11.288 1.00 0.00 H new ATOM 0 HH22 ARG A 63 13.861 -6.095 12.191 1.00 0.00 H new ATOM 941 N GLU A 64 10.767 -1.583 4.796 1.00 0.00 N ATOM 942 CA GLU A 64 10.078 -1.491 3.514 1.00 0.00 C ATOM 943 C GLU A 64 9.484 -2.840 3.117 1.00 0.00 C ATOM 944 O GLU A 64 10.206 -3.758 2.727 1.00 0.00 O ATOM 945 CB GLU A 64 11.039 -1.005 2.427 1.00 0.00 C ATOM 946 CG GLU A 64 10.339 -0.389 1.227 1.00 0.00 C ATOM 947 CD GLU A 64 11.243 -0.288 0.013 1.00 0.00 C ATOM 948 OE1 GLU A 64 11.611 -1.344 -0.542 1.00 0.00 O ATOM 949 OE2 GLU A 64 11.581 0.848 -0.381 1.00 0.00 O ATOM 0 H GLU A 64 11.765 -1.374 4.755 1.00 0.00 H new ATOM 0 HA GLU A 64 9.265 -0.772 3.618 1.00 0.00 H new ATOM 0 HB2 GLU A 64 11.719 -0.270 2.857 1.00 0.00 H new ATOM 0 HB3 GLU A 64 11.648 -1.844 2.091 1.00 0.00 H new ATOM 0 HG2 GLU A 64 9.464 -0.988 0.975 1.00 0.00 H new ATOM 0 HG3 GLU A 64 9.980 0.605 1.492 1.00 0.00 H new ATOM 956 N PHE A 65 8.164 -2.951 3.220 1.00 0.00 N ATOM 957 CA PHE A 65 7.472 -4.188 2.874 1.00 0.00 C ATOM 958 C PHE A 65 8.032 -4.781 1.585 1.00 0.00 C ATOM 959 O PHE A 65 8.449 -4.055 0.682 1.00 0.00 O ATOM 960 CB PHE A 65 5.971 -3.931 2.722 1.00 0.00 C ATOM 961 CG PHE A 65 5.251 -3.789 4.032 1.00 0.00 C ATOM 962 CD1 PHE A 65 5.088 -4.881 4.869 1.00 0.00 C ATOM 963 CD2 PHE A 65 4.737 -2.565 4.426 1.00 0.00 C ATOM 964 CE1 PHE A 65 4.425 -4.754 6.075 1.00 0.00 C ATOM 965 CE2 PHE A 65 4.074 -2.431 5.632 1.00 0.00 C ATOM 966 CZ PHE A 65 3.918 -3.527 6.457 1.00 0.00 C ATOM 0 H PHE A 65 7.552 -2.200 3.540 1.00 0.00 H new ATOM 0 HA PHE A 65 7.631 -4.903 3.681 1.00 0.00 H new ATOM 0 HB2 PHE A 65 5.823 -3.024 2.135 1.00 0.00 H new ATOM 0 HB3 PHE A 65 5.525 -4.751 2.159 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.483 -5.842 4.576 1.00 0.00 H new ATOM 0 HD2 PHE A 65 4.855 -1.705 3.784 1.00 0.00 H new ATOM 0 HE1 PHE A 65 4.303 -5.613 6.718 1.00 0.00 H new ATOM 0 HE2 PHE A 65 3.679 -1.471 5.928 1.00 0.00 H new ATOM 0 HZ PHE A 65 3.400 -3.425 7.399 1.00 0.00 H new ATOM 976 N THR A 66 8.038 -6.109 1.506 1.00 0.00 N ATOM 977 CA THR A 66 8.547 -6.801 0.329 1.00 0.00 C ATOM 978 C THR A 66 7.409 -7.376 -0.507 1.00 0.00 C ATOM 979 O THR A 66 6.365 -7.752 0.025 1.00 0.00 O ATOM 980 CB THR A 66 9.508 -7.941 0.720 1.00 0.00 C ATOM 981 OG1 THR A 66 8.804 -8.940 1.466 1.00 0.00 O ATOM 982 CG2 THR A 66 10.670 -7.410 1.545 1.00 0.00 C ATOM 0 H THR A 66 7.696 -6.726 2.243 1.00 0.00 H new ATOM 0 HA THR A 66 9.090 -6.063 -0.261 1.00 0.00 H new ATOM 0 HB THR A 66 9.904 -8.382 -0.194 1.00 0.00 H new ATOM 0 HG1 THR A 66 9.421 -9.662 1.709 1.00 0.00 H new ATOM 0 HG21 THR A 66 11.335 -8.233 1.809 1.00 0.00 H new ATOM 0 HG22 THR A 66 11.221 -6.671 0.964 1.00 0.00 H new ATOM 0 HG23 THR A 66 10.288 -6.946 2.454 1.00 0.00 H new ATOM 990 N ARG A 67 7.618 -7.441 -1.817 1.00 0.00 N ATOM 991 CA ARG A 67 6.609 -7.970 -2.727 1.00 0.00 C ATOM 992 C ARG A 67 5.875 -9.150 -2.098 1.00 0.00 C ATOM 993 O ARG A 67 4.662 -9.292 -2.250 1.00 0.00 O ATOM 994 CB ARG A 67 7.255 -8.401 -4.045 1.00 0.00 C ATOM 995 CG ARG A 67 7.651 -7.237 -4.938 1.00 0.00 C ATOM 996 CD ARG A 67 8.140 -7.717 -6.295 1.00 0.00 C ATOM 997 NE ARG A 67 8.794 -6.651 -7.051 1.00 0.00 N ATOM 998 CZ ARG A 67 8.904 -6.650 -8.374 1.00 0.00 C ATOM 999 NH1 ARG A 67 8.406 -7.652 -9.085 1.00 0.00 N ATOM 1000 NH2 ARG A 67 9.512 -5.644 -8.989 1.00 0.00 N ATOM 0 H ARG A 67 8.477 -7.134 -2.273 1.00 0.00 H new ATOM 0 HA ARG A 67 5.886 -7.179 -2.927 1.00 0.00 H new ATOM 0 HB2 ARG A 67 8.140 -8.999 -3.828 1.00 0.00 H new ATOM 0 HB3 ARG A 67 6.561 -9.044 -4.587 1.00 0.00 H new ATOM 0 HG2 ARG A 67 6.797 -6.573 -5.072 1.00 0.00 H new ATOM 0 HG3 ARG A 67 8.435 -6.655 -4.453 1.00 0.00 H new ATOM 0 HD2 ARG A 67 8.837 -8.544 -6.157 1.00 0.00 H new ATOM 0 HD3 ARG A 67 7.297 -8.103 -6.868 1.00 0.00 H new ATOM 0 HE ARG A 67 9.187 -5.865 -6.534 1.00 0.00 H new ATOM 0 HH11 ARG A 67 7.937 -8.427 -8.616 1.00 0.00 H new ATOM 0 HH12 ARG A 67 8.492 -7.648 -10.101 1.00 0.00 H new ATOM 0 HH21 ARG A 67 9.895 -4.871 -8.445 1.00 0.00 H new ATOM 0 HH22 ARG A 67 9.596 -5.644 -10.006 1.00 0.00 H new ATOM 1014 N GLU A 68 6.620 -9.995 -1.390 1.00 0.00 N ATOM 1015 CA GLU A 68 6.039 -11.163 -0.740 1.00 0.00 C ATOM 1016 C GLU A 68 5.041 -10.747 0.337 1.00 0.00 C ATOM 1017 O GLU A 68 3.949 -11.308 0.437 1.00 0.00 O ATOM 1018 CB GLU A 68 7.139 -12.030 -0.123 1.00 0.00 C ATOM 1019 CG GLU A 68 8.164 -12.521 -1.132 1.00 0.00 C ATOM 1020 CD GLU A 68 7.533 -13.275 -2.286 1.00 0.00 C ATOM 1021 OE1 GLU A 68 7.374 -14.508 -2.172 1.00 0.00 O ATOM 1022 OE2 GLU A 68 7.199 -12.632 -3.303 1.00 0.00 O ATOM 0 H GLU A 68 7.625 -9.892 -1.253 1.00 0.00 H new ATOM 0 HA GLU A 68 5.510 -11.742 -1.497 1.00 0.00 H new ATOM 0 HB2 GLU A 68 7.649 -11.458 0.652 1.00 0.00 H new ATOM 0 HB3 GLU A 68 6.681 -12.890 0.365 1.00 0.00 H new ATOM 0 HG2 GLU A 68 8.722 -11.669 -1.521 1.00 0.00 H new ATOM 0 HG3 GLU A 68 8.882 -13.169 -0.629 1.00 0.00 H new ATOM 1029 N ASP A 69 5.424 -9.761 1.140 1.00 0.00 N ATOM 1030 CA ASP A 69 4.563 -9.268 2.210 1.00 0.00 C ATOM 1031 C ASP A 69 3.153 -9.003 1.693 1.00 0.00 C ATOM 1032 O ASP A 69 2.167 -9.383 2.326 1.00 0.00 O ATOM 1033 CB ASP A 69 5.147 -7.991 2.815 1.00 0.00 C ATOM 1034 CG ASP A 69 6.278 -8.274 3.784 1.00 0.00 C ATOM 1035 OD1 ASP A 69 6.296 -9.376 4.371 1.00 0.00 O ATOM 1036 OD2 ASP A 69 7.147 -7.393 3.955 1.00 0.00 O ATOM 0 H ASP A 69 6.325 -9.287 1.071 1.00 0.00 H new ATOM 0 HA ASP A 69 4.509 -10.035 2.983 1.00 0.00 H new ATOM 0 HB2 ASP A 69 5.511 -7.347 2.015 1.00 0.00 H new ATOM 0 HB3 ASP A 69 4.359 -7.444 3.331 1.00 0.00 H new ATOM 1041 N TYR A 70 3.064 -8.347 0.542 1.00 0.00 N ATOM 1042 CA TYR A 70 1.774 -8.027 -0.058 1.00 0.00 C ATOM 1043 C TYR A 70 0.999 -9.298 -0.393 1.00 0.00 C ATOM 1044 O TYR A 70 -0.232 -9.298 -0.429 1.00 0.00 O ATOM 1045 CB TYR A 70 1.969 -7.187 -1.321 1.00 0.00 C ATOM 1046 CG TYR A 70 2.356 -5.752 -1.041 1.00 0.00 C ATOM 1047 CD1 TYR A 70 1.558 -4.941 -0.243 1.00 0.00 C ATOM 1048 CD2 TYR A 70 3.517 -5.208 -1.575 1.00 0.00 C ATOM 1049 CE1 TYR A 70 1.907 -3.629 0.016 1.00 0.00 C ATOM 1050 CE2 TYR A 70 3.874 -3.898 -1.320 1.00 0.00 C ATOM 1051 CZ TYR A 70 3.066 -3.113 -0.525 1.00 0.00 C ATOM 1052 OH TYR A 70 3.417 -1.807 -0.270 1.00 0.00 O ATOM 0 H TYR A 70 3.870 -8.026 0.005 1.00 0.00 H new ATOM 0 HA TYR A 70 1.198 -7.452 0.667 1.00 0.00 H new ATOM 0 HB2 TYR A 70 2.740 -7.648 -1.938 1.00 0.00 H new ATOM 0 HB3 TYR A 70 1.046 -7.199 -1.901 1.00 0.00 H new ATOM 0 HD1 TYR A 70 0.650 -5.343 0.182 1.00 0.00 H new ATOM 0 HD2 TYR A 70 4.151 -5.819 -2.200 1.00 0.00 H new ATOM 0 HE1 TYR A 70 1.276 -3.012 0.638 1.00 0.00 H new ATOM 0 HE2 TYR A 70 4.781 -3.491 -1.741 1.00 0.00 H new ATOM 0 HH TYR A 70 4.261 -1.600 -0.724 1.00 0.00 H new ATOM 1062 N LYS A 71 1.729 -10.381 -0.638 1.00 0.00 N ATOM 1063 CA LYS A 71 1.113 -11.660 -0.969 1.00 0.00 C ATOM 1064 C LYS A 71 0.593 -12.354 0.286 1.00 0.00 C ATOM 1065 O LYS A 71 -0.331 -13.165 0.221 1.00 0.00 O ATOM 1066 CB LYS A 71 2.119 -12.564 -1.684 1.00 0.00 C ATOM 1067 CG LYS A 71 2.695 -11.951 -2.949 1.00 0.00 C ATOM 1068 CD LYS A 71 1.726 -12.063 -4.114 1.00 0.00 C ATOM 1069 CE LYS A 71 2.444 -11.940 -5.450 1.00 0.00 C ATOM 1070 NZ LYS A 71 2.521 -10.526 -5.910 1.00 0.00 N ATOM 0 H LYS A 71 2.749 -10.398 -0.613 1.00 0.00 H new ATOM 0 HA LYS A 71 0.270 -11.468 -1.633 1.00 0.00 H new ATOM 0 HB2 LYS A 71 2.935 -12.798 -1.000 1.00 0.00 H new ATOM 0 HB3 LYS A 71 1.633 -13.507 -1.936 1.00 0.00 H new ATOM 0 HG2 LYS A 71 2.932 -10.902 -2.771 1.00 0.00 H new ATOM 0 HG3 LYS A 71 3.630 -12.450 -3.203 1.00 0.00 H new ATOM 0 HD2 LYS A 71 1.206 -13.020 -4.066 1.00 0.00 H new ATOM 0 HD3 LYS A 71 0.968 -11.284 -4.034 1.00 0.00 H new ATOM 0 HE2 LYS A 71 3.451 -12.348 -5.360 1.00 0.00 H new ATOM 0 HE3 LYS A 71 1.924 -12.538 -6.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 3.017 -10.485 -6.823 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 1.560 -10.144 -6.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 3.040 -9.960 -5.208 1.00 0.00 H new ATOM 1084 N ARG A 72 1.192 -12.030 1.428 1.00 0.00 N ATOM 1085 CA ARG A 72 0.789 -12.623 2.697 1.00 0.00 C ATOM 1086 C ARG A 72 -0.429 -11.904 3.270 1.00 0.00 C ATOM 1087 O ARG A 72 -0.742 -10.781 2.875 1.00 0.00 O ATOM 1088 CB ARG A 72 1.944 -12.569 3.699 1.00 0.00 C ATOM 1089 CG ARG A 72 3.245 -13.143 3.160 1.00 0.00 C ATOM 1090 CD ARG A 72 4.388 -12.952 4.145 1.00 0.00 C ATOM 1091 NE ARG A 72 4.506 -14.075 5.071 1.00 0.00 N ATOM 1092 CZ ARG A 72 5.110 -13.993 6.251 1.00 0.00 C ATOM 1093 NH1 ARG A 72 5.646 -12.848 6.648 1.00 0.00 N ATOM 1094 NH2 ARG A 72 5.177 -15.060 7.039 1.00 0.00 N ATOM 0 H ARG A 72 1.958 -11.360 1.500 1.00 0.00 H new ATOM 0 HA ARG A 72 0.523 -13.664 2.515 1.00 0.00 H new ATOM 0 HB2 ARG A 72 2.109 -11.533 3.995 1.00 0.00 H new ATOM 0 HB3 ARG A 72 1.660 -13.116 4.598 1.00 0.00 H new ATOM 0 HG2 ARG A 72 3.117 -14.205 2.951 1.00 0.00 H new ATOM 0 HG3 ARG A 72 3.493 -12.660 2.215 1.00 0.00 H new ATOM 0 HD2 ARG A 72 5.323 -12.834 3.597 1.00 0.00 H new ATOM 0 HD3 ARG A 72 4.231 -12.032 4.709 1.00 0.00 H new ATOM 0 HE ARG A 72 4.103 -14.971 4.797 1.00 0.00 H new ATOM 0 HH11 ARG A 72 5.596 -12.026 6.047 1.00 0.00 H new ATOM 0 HH12 ARG A 72 6.109 -12.789 7.555 1.00 0.00 H new ATOM 0 HH21 ARG A 72 4.764 -15.943 6.738 1.00 0.00 H new ATOM 0 HH22 ARG A 72 5.641 -14.996 7.945 1.00 0.00 H new ATOM 1108 N ARG A 73 -1.112 -12.561 4.202 1.00 0.00 N ATOM 1109 CA ARG A 73 -2.297 -11.985 4.828 1.00 0.00 C ATOM 1110 C ARG A 73 -1.907 -10.985 5.912 1.00 0.00 C ATOM 1111 O ARG A 73 -0.858 -11.114 6.543 1.00 0.00 O ATOM 1112 CB ARG A 73 -3.170 -13.089 5.427 1.00 0.00 C ATOM 1113 CG ARG A 73 -3.703 -14.071 4.397 1.00 0.00 C ATOM 1114 CD ARG A 73 -4.970 -14.756 4.884 1.00 0.00 C ATOM 1115 NE ARG A 73 -5.356 -15.870 4.021 1.00 0.00 N ATOM 1116 CZ ARG A 73 -4.693 -17.020 3.964 1.00 0.00 C ATOM 1117 NH1 ARG A 73 -3.617 -17.206 4.716 1.00 0.00 N ATOM 1118 NH2 ARG A 73 -5.107 -17.986 3.155 1.00 0.00 N ATOM 0 H ARG A 73 -0.866 -13.491 4.540 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.864 -11.459 4.060 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -2.590 -13.635 6.171 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -4.010 -12.632 5.950 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -3.908 -13.546 3.464 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -2.943 -14.821 4.180 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -4.818 -15.120 5.900 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -5.782 -14.030 4.924 1.00 0.00 H new ATOM 0 HE ARG A 73 -6.180 -15.759 3.430 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -3.297 -16.465 5.340 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.110 -18.090 4.671 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -5.935 -17.846 2.576 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -4.597 -18.869 3.112 1.00 0.00 H new ATOM 1132 N LEU A 74 -2.759 -9.987 6.122 1.00 0.00 N ATOM 1133 CA LEU A 74 -2.504 -8.963 7.130 1.00 0.00 C ATOM 1134 C LEU A 74 -2.175 -9.596 8.478 1.00 0.00 C ATOM 1135 O LEU A 74 -1.074 -9.427 9.004 1.00 0.00 O ATOM 1136 CB LEU A 74 -3.718 -8.043 7.268 1.00 0.00 C ATOM 1137 CG LEU A 74 -3.842 -6.934 6.222 1.00 0.00 C ATOM 1138 CD1 LEU A 74 -5.300 -6.546 6.027 1.00 0.00 C ATOM 1139 CD2 LEU A 74 -3.015 -5.723 6.628 1.00 0.00 C ATOM 0 H LEU A 74 -3.632 -9.865 5.608 1.00 0.00 H new ATOM 0 HA LEU A 74 -1.645 -8.375 6.807 1.00 0.00 H new ATOM 0 HB2 LEU A 74 -4.619 -8.655 7.228 1.00 0.00 H new ATOM 0 HB3 LEU A 74 -3.689 -7.582 8.255 1.00 0.00 H new ATOM 0 HG LEU A 74 -3.457 -7.310 5.274 1.00 0.00 H new ATOM 0 HD11 LEU A 74 -5.369 -5.756 5.279 1.00 0.00 H new ATOM 0 HD12 LEU A 74 -5.866 -7.415 5.690 1.00 0.00 H new ATOM 0 HD13 LEU A 74 -5.711 -6.189 6.971 1.00 0.00 H new ATOM 0 HD21 LEU A 74 -3.115 -4.944 5.872 1.00 0.00 H new ATOM 0 HD22 LEU A 74 -3.369 -5.346 7.587 1.00 0.00 H new ATOM 0 HD23 LEU A 74 -1.967 -6.011 6.716 1.00 0.00 H new ATOM 1151 N LEU A 75 -3.136 -10.328 9.032 1.00 0.00 N ATOM 1152 CA LEU A 75 -2.948 -10.989 10.319 1.00 0.00 C ATOM 1153 C LEU A 75 -1.590 -11.682 10.382 1.00 0.00 C ATOM 1154 O LEU A 75 -0.935 -11.692 11.425 1.00 0.00 O ATOM 1155 CB LEU A 75 -4.064 -12.007 10.559 1.00 0.00 C ATOM 1156 CG LEU A 75 -3.823 -13.412 10.006 1.00 0.00 C ATOM 1157 CD1 LEU A 75 -4.903 -14.368 10.486 1.00 0.00 C ATOM 1158 CD2 LEU A 75 -3.770 -13.383 8.485 1.00 0.00 C ATOM 0 H LEU A 75 -4.052 -10.479 8.610 1.00 0.00 H new ATOM 0 HA LEU A 75 -2.984 -10.229 11.099 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -4.232 -12.085 11.633 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -4.983 -11.619 10.120 1.00 0.00 H new ATOM 0 HG LEU A 75 -2.862 -13.768 10.377 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.714 -15.363 10.082 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.893 -14.411 11.575 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -5.877 -14.017 10.146 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -3.598 -14.391 8.108 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -4.716 -13.006 8.095 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -2.959 -12.731 8.162 1.00 0.00 H new ATOM 1170 N ASP A 76 -1.173 -12.258 9.260 1.00 0.00 N ATOM 1171 CA ASP A 76 0.108 -12.950 9.187 1.00 0.00 C ATOM 1172 C ASP A 76 1.266 -11.968 9.338 1.00 0.00 C ATOM 1173 O ASP A 76 2.292 -12.289 9.938 1.00 0.00 O ATOM 1174 CB ASP A 76 0.231 -13.702 7.861 1.00 0.00 C ATOM 1175 CG ASP A 76 -0.300 -15.120 7.948 1.00 0.00 C ATOM 1176 OD1 ASP A 76 0.168 -15.875 8.824 1.00 0.00 O ATOM 1177 OD2 ASP A 76 -1.184 -15.473 7.139 1.00 0.00 O ATOM 0 H ASP A 76 -1.703 -12.259 8.389 1.00 0.00 H new ATOM 0 HA ASP A 76 0.153 -13.666 10.008 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -0.313 -13.160 7.088 1.00 0.00 H new ATOM 0 HB3 ASP A 76 1.277 -13.727 7.556 1.00 0.00 H new ATOM 1182 N LEU A 77 1.095 -10.771 8.788 1.00 0.00 N ATOM 1183 CA LEU A 77 2.126 -9.742 8.860 1.00 0.00 C ATOM 1184 C LEU A 77 2.063 -9.000 10.192 1.00 0.00 C ATOM 1185 O LEU A 77 2.648 -7.929 10.344 1.00 0.00 O ATOM 1186 CB LEU A 77 1.968 -8.752 7.705 1.00 0.00 C ATOM 1187 CG LEU A 77 2.242 -9.304 6.305 1.00 0.00 C ATOM 1188 CD1 LEU A 77 1.416 -8.561 5.267 1.00 0.00 C ATOM 1189 CD2 LEU A 77 3.724 -9.211 5.976 1.00 0.00 C ATOM 0 H LEU A 77 0.252 -10.489 8.287 1.00 0.00 H new ATOM 0 HA LEU A 77 3.097 -10.230 8.782 1.00 0.00 H new ATOM 0 HB2 LEU A 77 0.952 -8.359 7.726 1.00 0.00 H new ATOM 0 HB3 LEU A 77 2.639 -7.911 7.880 1.00 0.00 H new ATOM 0 HG LEU A 77 1.951 -10.354 6.286 1.00 0.00 H new ATOM 0 HD11 LEU A 77 1.624 -8.968 4.277 1.00 0.00 H new ATOM 0 HD12 LEU A 77 0.356 -8.680 5.492 1.00 0.00 H new ATOM 0 HD13 LEU A 77 1.675 -7.502 5.286 1.00 0.00 H new ATOM 0 HD21 LEU A 77 3.900 -9.608 4.976 1.00 0.00 H new ATOM 0 HD22 LEU A 77 4.040 -8.169 6.013 1.00 0.00 H new ATOM 0 HD23 LEU A 77 4.295 -9.790 6.702 1.00 0.00 H new ATOM 1201 N GLU A 78 1.351 -9.580 11.153 1.00 0.00 N ATOM 1202 CA GLU A 78 1.213 -8.974 12.472 1.00 0.00 C ATOM 1203 C GLU A 78 0.425 -7.670 12.393 1.00 0.00 C ATOM 1204 O GLU A 78 0.700 -6.720 13.127 1.00 0.00 O ATOM 1205 CB GLU A 78 2.591 -8.714 13.085 1.00 0.00 C ATOM 1206 CG GLU A 78 3.485 -9.943 13.115 1.00 0.00 C ATOM 1207 CD GLU A 78 4.944 -9.597 13.343 1.00 0.00 C ATOM 1208 OE1 GLU A 78 5.663 -9.375 12.347 1.00 0.00 O ATOM 1209 OE2 GLU A 78 5.366 -9.549 14.517 1.00 0.00 O ATOM 0 H GLU A 78 0.861 -10.468 11.043 1.00 0.00 H new ATOM 0 HA GLU A 78 0.666 -9.670 13.108 1.00 0.00 H new ATOM 0 HB2 GLU A 78 3.089 -7.927 12.519 1.00 0.00 H new ATOM 0 HB3 GLU A 78 2.463 -8.343 14.102 1.00 0.00 H new ATOM 0 HG2 GLU A 78 3.147 -10.615 13.904 1.00 0.00 H new ATOM 0 HG3 GLU A 78 3.386 -10.483 12.173 1.00 0.00 H new ATOM 1216 N LEU A 79 -0.554 -7.631 11.496 1.00 0.00 N ATOM 1217 CA LEU A 79 -1.382 -6.443 11.319 1.00 0.00 C ATOM 1218 C LEU A 79 -2.850 -6.758 11.590 1.00 0.00 C ATOM 1219 O LEU A 79 -3.739 -6.005 11.194 1.00 0.00 O ATOM 1220 CB LEU A 79 -1.221 -5.892 9.901 1.00 0.00 C ATOM 1221 CG LEU A 79 0.216 -5.674 9.425 1.00 0.00 C ATOM 1222 CD1 LEU A 79 0.231 -5.039 8.043 1.00 0.00 C ATOM 1223 CD2 LEU A 79 0.982 -4.812 10.418 1.00 0.00 C ATOM 0 H LEU A 79 -0.794 -8.408 10.880 1.00 0.00 H new ATOM 0 HA LEU A 79 -1.052 -5.690 12.035 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -1.712 -6.576 9.209 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -1.751 -4.942 9.840 1.00 0.00 H new ATOM 0 HG LEU A 79 0.708 -6.645 9.361 1.00 0.00 H new ATOM 0 HD11 LEU A 79 1.262 -4.892 7.721 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -0.280 -5.693 7.336 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -0.279 -4.076 8.079 1.00 0.00 H new ATOM 0 HD21 LEU A 79 2.002 -4.667 10.063 1.00 0.00 H new ATOM 0 HD22 LEU A 79 0.491 -3.844 10.514 1.00 0.00 H new ATOM 0 HD23 LEU A 79 1.002 -5.307 11.389 1.00 0.00 H new ATOM 1235 N ALA A 80 -3.095 -7.873 12.270 1.00 0.00 N ATOM 1236 CA ALA A 80 -4.454 -8.284 12.598 1.00 0.00 C ATOM 1237 C ALA A 80 -5.143 -7.249 13.481 1.00 0.00 C ATOM 1238 O ALA A 80 -6.165 -6.668 13.116 1.00 0.00 O ATOM 1239 CB ALA A 80 -4.444 -9.643 13.283 1.00 0.00 C ATOM 0 H ALA A 80 -2.370 -8.508 12.604 1.00 0.00 H new ATOM 0 HA ALA A 80 -5.018 -8.362 11.668 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -5.466 -9.937 13.522 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -4.000 -10.383 12.617 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -3.859 -9.583 14.201 1.00 0.00 H new ATOM 1245 N PRO A 81 -4.572 -7.012 14.672 1.00 0.00 N ATOM 1246 CA PRO A 81 -5.115 -6.047 15.632 1.00 0.00 C ATOM 1247 C PRO A 81 -4.955 -4.606 15.158 1.00 0.00 C ATOM 1248 O PRO A 81 -5.822 -4.069 14.469 1.00 0.00 O ATOM 1249 CB PRO A 81 -4.281 -6.292 16.891 1.00 0.00 C ATOM 1250 CG PRO A 81 -2.999 -6.863 16.392 1.00 0.00 C ATOM 1251 CD PRO A 81 -3.353 -7.669 15.172 1.00 0.00 C ATOM 0 HA PRO A 81 -6.186 -6.179 15.782 1.00 0.00 H new ATOM 0 HB2 PRO A 81 -4.114 -5.366 17.441 1.00 0.00 H new ATOM 0 HB3 PRO A 81 -4.783 -6.981 17.570 1.00 0.00 H new ATOM 0 HG2 PRO A 81 -2.289 -6.073 16.146 1.00 0.00 H new ATOM 0 HG3 PRO A 81 -2.529 -7.489 17.151 1.00 0.00 H new ATOM 0 HD2 PRO A 81 -2.553 -7.650 14.432 1.00 0.00 H new ATOM 0 HD3 PRO A 81 -3.533 -8.715 15.420 1.00 0.00 H new ATOM 1259 N SER A 82 -3.840 -3.986 15.532 1.00 0.00 N ATOM 1260 CA SER A 82 -3.568 -2.605 15.148 1.00 0.00 C ATOM 1261 C SER A 82 -2.331 -2.523 14.260 1.00 0.00 C ATOM 1262 O SER A 82 -1.331 -3.196 14.506 1.00 0.00 O ATOM 1263 CB SER A 82 -3.376 -1.736 16.392 1.00 0.00 C ATOM 1264 OG SER A 82 -2.071 -1.887 16.923 1.00 0.00 O ATOM 0 H SER A 82 -3.111 -4.417 16.100 1.00 0.00 H new ATOM 0 HA SER A 82 -4.424 -2.235 14.584 1.00 0.00 H new ATOM 0 HB2 SER A 82 -3.550 -0.690 16.139 1.00 0.00 H new ATOM 0 HB3 SER A 82 -4.113 -2.009 17.147 1.00 0.00 H new ATOM 0 HG SER A 82 -1.973 -1.320 17.716 1.00 0.00 H new ATOM 1270 N ALA A 83 -2.407 -1.692 13.225 1.00 0.00 N ATOM 1271 CA ALA A 83 -1.294 -1.518 12.301 1.00 0.00 C ATOM 1272 C ALA A 83 -1.193 -0.072 11.828 1.00 0.00 C ATOM 1273 O ALA A 83 -2.200 0.626 11.716 1.00 0.00 O ATOM 1274 CB ALA A 83 -1.445 -2.455 11.111 1.00 0.00 C ATOM 0 H ALA A 83 -3.229 -1.129 13.006 1.00 0.00 H new ATOM 0 HA ALA A 83 -0.373 -1.764 12.830 1.00 0.00 H new ATOM 0 HB1 ALA A 83 -0.607 -2.315 10.429 1.00 0.00 H new ATOM 0 HB2 ALA A 83 -1.459 -3.487 11.460 1.00 0.00 H new ATOM 0 HB3 ALA A 83 -2.377 -2.235 10.591 1.00 0.00 H new ATOM 1280 N SER A 84 0.030 0.372 11.554 1.00 0.00 N ATOM 1281 CA SER A 84 0.263 1.738 11.098 1.00 0.00 C ATOM 1282 C SER A 84 1.183 1.754 9.881 1.00 0.00 C ATOM 1283 O SER A 84 2.401 1.625 10.008 1.00 0.00 O ATOM 1284 CB SER A 84 0.871 2.577 12.224 1.00 0.00 C ATOM 1285 OG SER A 84 0.050 2.553 13.378 1.00 0.00 O ATOM 0 H SER A 84 0.874 -0.194 11.640 1.00 0.00 H new ATOM 0 HA SER A 84 -0.696 2.169 10.812 1.00 0.00 H new ATOM 0 HB2 SER A 84 1.862 2.196 12.471 1.00 0.00 H new ATOM 0 HB3 SER A 84 1.000 3.605 11.887 1.00 0.00 H new ATOM 0 HG SER A 84 0.461 3.095 14.083 1.00 0.00 H new ATOM 1291 N VAL A 85 0.591 1.915 8.702 1.00 0.00 N ATOM 1292 CA VAL A 85 1.356 1.950 7.461 1.00 0.00 C ATOM 1293 C VAL A 85 1.575 3.384 6.991 1.00 0.00 C ATOM 1294 O VAL A 85 0.628 4.079 6.623 1.00 0.00 O ATOM 1295 CB VAL A 85 0.652 1.157 6.345 1.00 0.00 C ATOM 1296 CG1 VAL A 85 0.831 -0.339 6.558 1.00 0.00 C ATOM 1297 CG2 VAL A 85 -0.823 1.522 6.282 1.00 0.00 C ATOM 0 H VAL A 85 -0.416 2.023 8.580 1.00 0.00 H new ATOM 0 HA VAL A 85 2.321 1.488 7.671 1.00 0.00 H new ATOM 0 HB VAL A 85 1.109 1.421 5.391 1.00 0.00 H new ATOM 0 HG11 VAL A 85 0.327 -0.883 5.759 1.00 0.00 H new ATOM 0 HG12 VAL A 85 1.893 -0.583 6.549 1.00 0.00 H new ATOM 0 HG13 VAL A 85 0.402 -0.624 7.519 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.305 0.952 5.488 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -1.297 1.288 7.235 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -0.926 2.588 6.078 1.00 0.00 H new ATOM 1307 N VAL A 86 2.831 3.820 7.005 1.00 0.00 N ATOM 1308 CA VAL A 86 3.175 5.171 6.578 1.00 0.00 C ATOM 1309 C VAL A 86 3.236 5.268 5.057 1.00 0.00 C ATOM 1310 O VAL A 86 3.847 4.429 4.395 1.00 0.00 O ATOM 1311 CB VAL A 86 4.527 5.618 7.165 1.00 0.00 C ATOM 1312 CG1 VAL A 86 4.330 6.263 8.528 1.00 0.00 C ATOM 1313 CG2 VAL A 86 5.483 4.438 7.257 1.00 0.00 C ATOM 0 H VAL A 86 3.626 3.258 7.307 1.00 0.00 H new ATOM 0 HA VAL A 86 2.390 5.830 6.950 1.00 0.00 H new ATOM 0 HB VAL A 86 4.966 6.361 6.499 1.00 0.00 H new ATOM 0 HG11 VAL A 86 5.296 6.572 8.927 1.00 0.00 H new ATOM 0 HG12 VAL A 86 3.683 7.134 8.428 1.00 0.00 H new ATOM 0 HG13 VAL A 86 3.870 5.545 9.207 1.00 0.00 H new ATOM 0 HG21 VAL A 86 6.433 4.771 7.674 1.00 0.00 H new ATOM 0 HG22 VAL A 86 5.053 3.671 7.901 1.00 0.00 H new ATOM 0 HG23 VAL A 86 5.648 4.025 6.262 1.00 0.00 H new ATOM 1323 N LEU A 87 2.600 6.298 4.510 1.00 0.00 N ATOM 1324 CA LEU A 87 2.583 6.506 3.066 1.00 0.00 C ATOM 1325 C LEU A 87 3.777 7.345 2.622 1.00 0.00 C ATOM 1326 O LEU A 87 3.958 8.476 3.075 1.00 0.00 O ATOM 1327 CB LEU A 87 1.280 7.190 2.646 1.00 0.00 C ATOM 1328 CG LEU A 87 1.024 7.277 1.141 1.00 0.00 C ATOM 1329 CD1 LEU A 87 -0.469 7.254 0.852 1.00 0.00 C ATOM 1330 CD2 LEU A 87 1.661 8.532 0.563 1.00 0.00 C ATOM 0 H LEU A 87 2.090 7.002 5.044 1.00 0.00 H new ATOM 0 HA LEU A 87 2.648 5.531 2.582 1.00 0.00 H new ATOM 0 HB2 LEU A 87 0.448 6.656 3.106 1.00 0.00 H new ATOM 0 HB3 LEU A 87 1.275 8.201 3.054 1.00 0.00 H new ATOM 0 HG LEU A 87 1.480 6.410 0.664 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.632 7.317 -0.224 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -0.899 6.327 1.231 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.947 8.102 1.342 1.00 0.00 H new ATOM 0 HD21 LEU A 87 1.469 8.577 -0.509 1.00 0.00 H new ATOM 0 HD22 LEU A 87 1.235 9.412 1.046 1.00 0.00 H new ATOM 0 HD23 LEU A 87 2.737 8.508 0.738 1.00 0.00 H new ATOM 1342 N LEU A 88 4.589 6.784 1.733 1.00 0.00 N ATOM 1343 CA LEU A 88 5.766 7.481 1.225 1.00 0.00 C ATOM 1344 C LEU A 88 5.537 7.965 -0.203 1.00 0.00 C ATOM 1345 O LEU A 88 5.487 7.180 -1.151 1.00 0.00 O ATOM 1346 CB LEU A 88 6.988 6.562 1.275 1.00 0.00 C ATOM 1347 CG LEU A 88 7.398 6.066 2.662 1.00 0.00 C ATOM 1348 CD1 LEU A 88 8.330 4.869 2.547 1.00 0.00 C ATOM 1349 CD2 LEU A 88 8.060 7.185 3.454 1.00 0.00 C ATOM 0 H LEU A 88 4.454 5.849 1.349 1.00 0.00 H new ATOM 0 HA LEU A 88 5.946 8.349 1.859 1.00 0.00 H new ATOM 0 HB2 LEU A 88 6.792 5.695 0.644 1.00 0.00 H new ATOM 0 HB3 LEU A 88 7.834 7.091 0.836 1.00 0.00 H new ATOM 0 HG LEU A 88 6.500 5.752 3.195 1.00 0.00 H new ATOM 0 HD11 LEU A 88 8.611 4.530 3.544 1.00 0.00 H new ATOM 0 HD12 LEU A 88 7.822 4.062 2.019 1.00 0.00 H new ATOM 0 HD13 LEU A 88 9.225 5.157 1.996 1.00 0.00 H new ATOM 0 HD21 LEU A 88 8.345 6.814 4.439 1.00 0.00 H new ATOM 0 HD22 LEU A 88 8.948 7.529 2.924 1.00 0.00 H new ATOM 0 HD23 LEU A 88 7.361 8.014 3.567 1.00 0.00 H new ATOM 1361 N PRO A 89 5.398 9.290 -0.364 1.00 0.00 N ATOM 1362 CA PRO A 89 5.176 9.909 -1.674 1.00 0.00 C ATOM 1363 C PRO A 89 6.408 9.832 -2.568 1.00 0.00 C ATOM 1364 O PRO A 89 7.537 9.978 -2.100 1.00 0.00 O ATOM 1365 CB PRO A 89 4.856 11.365 -1.328 1.00 0.00 C ATOM 1366 CG PRO A 89 5.516 11.595 -0.012 1.00 0.00 C ATOM 1367 CD PRO A 89 5.446 10.284 0.721 1.00 0.00 C ATOM 0 HA PRO A 89 4.388 9.406 -2.234 1.00 0.00 H new ATOM 0 HB2 PRO A 89 5.240 12.046 -2.088 1.00 0.00 H new ATOM 0 HB3 PRO A 89 3.780 11.530 -1.266 1.00 0.00 H new ATOM 0 HG2 PRO A 89 6.550 11.913 -0.144 1.00 0.00 H new ATOM 0 HG3 PRO A 89 5.009 12.382 0.547 1.00 0.00 H new ATOM 0 HD2 PRO A 89 6.314 10.136 1.364 1.00 0.00 H new ATOM 0 HD3 PRO A 89 4.564 10.226 1.358 1.00 0.00 H new ATOM 1375 N ALA A 90 6.185 9.601 -3.858 1.00 0.00 N ATOM 1376 CA ALA A 90 7.277 9.507 -4.818 1.00 0.00 C ATOM 1377 C ALA A 90 7.374 10.772 -5.665 1.00 0.00 C ATOM 1378 O ALA A 90 6.777 10.859 -6.737 1.00 0.00 O ATOM 1379 CB ALA A 90 7.095 8.286 -5.707 1.00 0.00 C ATOM 0 H ALA A 90 5.257 9.476 -4.262 1.00 0.00 H new ATOM 0 HA ALA A 90 8.209 9.402 -4.262 1.00 0.00 H new ATOM 0 HB1 ALA A 90 7.918 8.229 -6.419 1.00 0.00 H new ATOM 0 HB2 ALA A 90 7.084 7.386 -5.092 1.00 0.00 H new ATOM 0 HB3 ALA A 90 6.152 8.367 -6.248 1.00 0.00 H new