USER MOD reduce.3.24.130724 H: found=0, std=0, add=351, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 352 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 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 41 GLN : amide:sc= 0.817 K(o=0.82,f=-1.7) USER MOD Single : A 42 SER OG : rot 170:sc= 0.963 USER MOD Single : A 44 GLN : amide:sc= -0.0561 X(o=-0.056,f=-0.42) USER MOD Single : A 49 THR OG1 : rot 30:sc= 1.08 USER MOD Single : A 53 ASN : amide:sc= -0.637 K(o=-0.64,f=0) USER MOD Single : A 54 GLN : amide:sc= 0.639 K(o=0.64,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 137 N PRO A 10 -8.072 6.855 4.473 1.00 0.00 N ATOM 138 CA PRO A 10 -6.725 7.294 4.789 1.00 0.00 C ATOM 139 C PRO A 10 -6.422 7.065 6.276 1.00 0.00 C ATOM 140 O PRO A 10 -7.086 7.622 7.149 1.00 0.00 O ATOM 141 CB PRO A 10 -6.725 8.795 4.451 1.00 0.00 C ATOM 142 CG PRO A 10 -7.996 9.051 3.721 1.00 0.00 C ATOM 143 CD PRO A 10 -8.946 7.972 4.129 1.00 0.00 C ATOM 0 HA PRO A 10 -5.963 6.747 4.234 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -6.667 9.399 5.357 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -5.863 9.057 3.837 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -8.395 10.034 3.971 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -7.834 9.037 2.643 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -9.559 8.277 4.977 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -9.629 7.712 3.320 1.00 0.00 H new ATOM 151 N GLY A 11 -5.457 6.222 6.536 1.00 0.00 N ATOM 152 CA GLY A 11 -5.097 5.863 7.882 1.00 0.00 C ATOM 153 C GLY A 11 -5.194 4.367 8.089 1.00 0.00 C ATOM 154 O GLY A 11 -4.755 3.846 9.110 1.00 0.00 O ATOM 0 H GLY A 11 -4.897 5.764 5.817 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.081 6.198 8.092 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -5.753 6.374 8.586 1.00 0.00 H new ATOM 158 N ASP A 12 -5.763 3.685 7.102 1.00 0.00 N ATOM 159 CA ASP A 12 -5.968 2.229 7.154 1.00 0.00 C ATOM 160 C ASP A 12 -4.649 1.475 6.946 1.00 0.00 C ATOM 161 O ASP A 12 -3.689 2.023 6.373 1.00 0.00 O ATOM 162 CB ASP A 12 -6.987 1.813 6.088 1.00 0.00 C ATOM 163 CG ASP A 12 -7.383 0.349 6.158 1.00 0.00 C ATOM 164 OD1 ASP A 12 -7.362 -0.223 7.272 1.00 0.00 O ATOM 165 OD2 ASP A 12 -7.726 -0.216 5.108 1.00 0.00 O ATOM 0 H ASP A 12 -6.097 4.118 6.241 1.00 0.00 H new ATOM 0 HA ASP A 12 -6.349 1.971 8.142 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -7.881 2.427 6.194 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -6.573 2.021 5.102 1.00 0.00 H new ATOM 170 N VAL A 13 -4.619 0.236 7.371 1.00 0.00 N ATOM 171 CA VAL A 13 -3.444 -0.610 7.298 1.00 0.00 C ATOM 172 C VAL A 13 -3.767 -1.809 6.418 1.00 0.00 C ATOM 173 O VAL A 13 -4.592 -2.641 6.765 1.00 0.00 O ATOM 174 CB VAL A 13 -2.987 -1.101 8.706 1.00 0.00 C ATOM 175 CG1 VAL A 13 -1.728 -1.959 8.604 1.00 0.00 C ATOM 176 CG2 VAL A 13 -2.749 0.078 9.645 1.00 0.00 C ATOM 0 H VAL A 13 -5.427 -0.227 7.787 1.00 0.00 H new ATOM 0 HA VAL A 13 -2.625 -0.027 6.877 1.00 0.00 H new ATOM 0 HB VAL A 13 -3.788 -1.714 9.119 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -1.431 -2.288 9.600 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -1.930 -2.829 7.979 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -0.923 -1.373 8.160 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -2.431 -0.292 10.620 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -1.973 0.722 9.231 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -3.672 0.647 9.756 1.00 0.00 H new ATOM 186 N VAL A 14 -3.099 -1.901 5.304 1.00 0.00 N ATOM 187 CA VAL A 14 -3.402 -2.902 4.306 1.00 0.00 C ATOM 188 C VAL A 14 -2.150 -3.646 3.860 1.00 0.00 C ATOM 189 O VAL A 14 -1.030 -3.361 4.316 1.00 0.00 O ATOM 190 CB VAL A 14 -4.063 -2.246 3.054 1.00 0.00 C ATOM 191 CG1 VAL A 14 -5.405 -1.635 3.407 1.00 0.00 C ATOM 192 CG2 VAL A 14 -3.151 -1.170 2.474 1.00 0.00 C ATOM 0 H VAL A 14 -2.325 -1.285 5.056 1.00 0.00 H new ATOM 0 HA VAL A 14 -4.092 -3.610 4.765 1.00 0.00 H new ATOM 0 HB VAL A 14 -4.218 -3.028 2.310 1.00 0.00 H new ATOM 0 HG11 VAL A 14 -5.845 -1.184 2.517 1.00 0.00 H new ATOM 0 HG12 VAL A 14 -6.069 -2.411 3.787 1.00 0.00 H new ATOM 0 HG13 VAL A 14 -5.267 -0.870 4.171 1.00 0.00 H new ATOM 0 HG21 VAL A 14 -3.626 -0.722 1.601 1.00 0.00 H new ATOM 0 HG22 VAL A 14 -2.973 -0.401 3.225 1.00 0.00 H new ATOM 0 HG23 VAL A 14 -2.201 -1.617 2.180 1.00 0.00 H new ATOM 202 N LYS A 15 -2.353 -4.606 2.996 1.00 0.00 N ATOM 203 CA LYS A 15 -1.289 -5.336 2.369 1.00 0.00 C ATOM 204 C LYS A 15 -1.254 -4.964 0.911 1.00 0.00 C ATOM 205 O LYS A 15 -2.285 -5.041 0.210 1.00 0.00 O ATOM 206 CB LYS A 15 -1.472 -6.849 2.548 1.00 0.00 C ATOM 207 CG LYS A 15 -2.908 -7.315 2.397 1.00 0.00 C ATOM 208 CD LYS A 15 -3.038 -8.816 2.493 1.00 0.00 C ATOM 209 CE LYS A 15 -4.488 -9.235 2.319 1.00 0.00 C ATOM 210 NZ LYS A 15 -4.692 -10.697 2.472 1.00 0.00 N ATOM 0 H LYS A 15 -3.283 -4.906 2.704 1.00 0.00 H new ATOM 0 HA LYS A 15 -0.341 -5.076 2.839 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.852 -7.369 1.818 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -1.109 -7.135 3.535 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -3.521 -6.850 3.169 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.297 -6.980 1.435 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -2.422 -9.290 1.729 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.667 -9.158 3.459 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -5.102 -8.710 3.050 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -4.833 -8.927 1.332 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -5.699 -10.922 2.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -4.130 -11.203 1.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -4.390 -10.992 3.423 1.00 0.00 H new ATOM 224 N VAL A 16 -0.116 -4.519 0.468 1.00 0.00 N ATOM 225 CA VAL A 16 0.063 -4.092 -0.894 1.00 0.00 C ATOM 226 C VAL A 16 1.271 -4.755 -1.472 1.00 0.00 C ATOM 227 O VAL A 16 2.325 -4.813 -0.839 1.00 0.00 O ATOM 228 CB VAL A 16 0.220 -2.546 -1.009 1.00 0.00 C ATOM 229 CG1 VAL A 16 0.474 -2.099 -2.450 1.00 0.00 C ATOM 230 CG2 VAL A 16 -1.004 -1.859 -0.471 1.00 0.00 C ATOM 0 H VAL A 16 0.723 -4.440 1.043 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.831 -4.379 -1.448 1.00 0.00 H new ATOM 0 HB VAL A 16 1.090 -2.264 -0.416 1.00 0.00 H new ATOM 0 HG11 VAL A 16 0.577 -1.014 -2.482 1.00 0.00 H new ATOM 0 HG12 VAL A 16 1.390 -2.561 -2.818 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -0.364 -2.403 -3.078 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -0.882 -0.779 -0.557 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.878 -2.172 -1.042 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -1.141 -2.127 0.577 1.00 0.00 H new ATOM 240 N LEU A 17 1.122 -5.275 -2.641 1.00 0.00 N ATOM 241 CA LEU A 17 2.223 -5.857 -3.321 1.00 0.00 C ATOM 242 C LEU A 17 2.905 -4.749 -4.120 1.00 0.00 C ATOM 243 O LEU A 17 2.485 -4.387 -5.230 1.00 0.00 O ATOM 244 CB LEU A 17 1.776 -7.104 -4.147 1.00 0.00 C ATOM 245 CG LEU A 17 2.853 -7.950 -4.886 1.00 0.00 C ATOM 246 CD1 LEU A 17 2.266 -9.295 -5.273 1.00 0.00 C ATOM 247 CD2 LEU A 17 3.356 -7.263 -6.150 1.00 0.00 C ATOM 0 H LEU A 17 0.238 -5.308 -3.149 1.00 0.00 H new ATOM 0 HA LEU A 17 2.963 -6.262 -2.632 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.242 -7.771 -3.471 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.058 -6.763 -4.893 1.00 0.00 H new ATOM 0 HG LEU A 17 3.693 -8.071 -4.202 1.00 0.00 H new ATOM 0 HD11 LEU A 17 3.021 -9.886 -5.790 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.944 -9.823 -4.376 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.411 -9.143 -5.931 1.00 0.00 H new ATOM 0 HD21 LEU A 17 4.106 -7.891 -6.632 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.522 -7.104 -6.834 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.800 -6.302 -5.890 1.00 0.00 H new ATOM 259 N GLU A 18 3.872 -4.139 -3.458 1.00 0.00 N ATOM 260 CA GLU A 18 4.663 -3.026 -3.974 1.00 0.00 C ATOM 261 C GLU A 18 5.482 -3.468 -5.176 1.00 0.00 C ATOM 262 O GLU A 18 5.489 -2.829 -6.221 1.00 0.00 O ATOM 263 CB GLU A 18 5.590 -2.526 -2.841 1.00 0.00 C ATOM 264 CG GLU A 18 6.596 -1.447 -3.228 1.00 0.00 C ATOM 265 CD GLU A 18 7.513 -1.067 -2.077 1.00 0.00 C ATOM 266 OE1 GLU A 18 7.289 -0.025 -1.388 1.00 0.00 O ATOM 267 OE2 GLU A 18 8.474 -1.796 -1.835 1.00 0.00 O ATOM 0 H GLU A 18 4.141 -4.412 -2.513 1.00 0.00 H new ATOM 0 HA GLU A 18 4.005 -2.220 -4.300 1.00 0.00 H new ATOM 0 HB2 GLU A 18 4.968 -2.142 -2.032 1.00 0.00 H new ATOM 0 HB3 GLU A 18 6.138 -3.380 -2.443 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.197 -1.799 -4.066 1.00 0.00 H new ATOM 0 HG3 GLU A 18 6.061 -0.561 -3.570 1.00 0.00 H new ATOM 274 N SER A 19 6.164 -4.557 -5.019 1.00 0.00 N ATOM 275 CA SER A 19 7.001 -5.079 -6.046 1.00 0.00 C ATOM 276 C SER A 19 6.990 -6.593 -5.995 1.00 0.00 C ATOM 277 O SER A 19 6.892 -7.176 -4.917 1.00 0.00 O ATOM 278 CB SER A 19 8.412 -4.510 -5.888 1.00 0.00 C ATOM 279 OG SER A 19 8.432 -3.128 -6.172 1.00 0.00 O ATOM 0 H SER A 19 6.154 -5.113 -4.164 1.00 0.00 H new ATOM 0 HA SER A 19 6.627 -4.781 -7.026 1.00 0.00 H new ATOM 0 HB2 SER A 19 8.766 -4.682 -4.871 1.00 0.00 H new ATOM 0 HB3 SER A 19 9.096 -5.033 -6.556 1.00 0.00 H new ATOM 0 HG SER A 19 9.343 -2.785 -6.063 1.00 0.00 H new ATOM 285 N ALA A 20 7.083 -7.223 -7.160 1.00 0.00 N ATOM 286 CA ALA A 20 7.018 -8.686 -7.287 1.00 0.00 C ATOM 287 C ALA A 20 8.177 -9.389 -6.580 1.00 0.00 C ATOM 288 O ALA A 20 8.069 -10.538 -6.213 1.00 0.00 O ATOM 289 CB ALA A 20 6.971 -9.086 -8.755 1.00 0.00 C ATOM 0 H ALA A 20 7.206 -6.739 -8.049 1.00 0.00 H new ATOM 0 HA ALA A 20 6.102 -9.010 -6.793 1.00 0.00 H new ATOM 0 HB1 ALA A 20 6.923 -10.172 -8.835 1.00 0.00 H new ATOM 0 HB2 ALA A 20 6.089 -8.648 -9.223 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.867 -8.724 -9.260 1.00 0.00 H new ATOM 295 N ALA A 21 9.265 -8.672 -6.372 1.00 0.00 N ATOM 296 CA ALA A 21 10.441 -9.235 -5.716 1.00 0.00 C ATOM 297 C ALA A 21 10.357 -9.068 -4.198 1.00 0.00 C ATOM 298 O ALA A 21 11.289 -9.390 -3.479 1.00 0.00 O ATOM 299 CB ALA A 21 11.705 -8.576 -6.255 1.00 0.00 C ATOM 0 H ALA A 21 9.364 -7.695 -6.647 1.00 0.00 H new ATOM 0 HA ALA A 21 10.477 -10.302 -5.934 1.00 0.00 H new ATOM 0 HB1 ALA A 21 12.577 -9.002 -5.760 1.00 0.00 H new ATOM 0 HB2 ALA A 21 11.776 -8.750 -7.329 1.00 0.00 H new ATOM 0 HB3 ALA A 21 11.667 -7.504 -6.063 1.00 0.00 H new ATOM 305 N LEU A 22 9.234 -8.559 -3.732 1.00 0.00 N ATOM 306 CA LEU A 22 9.016 -8.345 -2.310 1.00 0.00 C ATOM 307 C LEU A 22 7.706 -8.985 -1.889 1.00 0.00 C ATOM 308 O LEU A 22 7.621 -9.630 -0.855 1.00 0.00 O ATOM 309 CB LEU A 22 9.001 -6.841 -1.981 1.00 0.00 C ATOM 310 CG LEU A 22 10.300 -6.067 -2.258 1.00 0.00 C ATOM 311 CD1 LEU A 22 10.110 -4.595 -1.965 1.00 0.00 C ATOM 312 CD2 LEU A 22 11.453 -6.619 -1.424 1.00 0.00 C ATOM 0 H LEU A 22 8.449 -8.283 -4.322 1.00 0.00 H new ATOM 0 HA LEU A 22 9.835 -8.807 -1.759 1.00 0.00 H new ATOM 0 HB2 LEU A 22 8.197 -6.375 -2.551 1.00 0.00 H new ATOM 0 HB3 LEU A 22 8.752 -6.725 -0.926 1.00 0.00 H new ATOM 0 HG LEU A 22 10.547 -6.191 -3.313 1.00 0.00 H new ATOM 0 HD11 LEU A 22 11.039 -4.061 -2.166 1.00 0.00 H new ATOM 0 HD12 LEU A 22 9.318 -4.197 -2.599 1.00 0.00 H new ATOM 0 HD13 LEU A 22 9.836 -4.465 -0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 22 12.360 -6.054 -1.639 1.00 0.00 H new ATOM 0 HD22 LEU A 22 11.212 -6.529 -0.365 1.00 0.00 H new ATOM 0 HD23 LEU A 22 11.612 -7.668 -1.672 1.00 0.00 H new ATOM 324 N GLY A 23 6.691 -8.799 -2.704 1.00 0.00 N ATOM 325 CA GLY A 23 5.416 -9.372 -2.420 1.00 0.00 C ATOM 326 C GLY A 23 4.529 -8.401 -1.699 1.00 0.00 C ATOM 327 O GLY A 23 4.694 -7.176 -1.828 1.00 0.00 O ATOM 0 H GLY A 23 6.735 -8.254 -3.565 1.00 0.00 H new ATOM 0 HA2 GLY A 23 4.939 -9.682 -3.350 1.00 0.00 H new ATOM 0 HA3 GLY A 23 5.545 -10.269 -1.814 1.00 0.00 H new ATOM 331 N TRP A 24 3.575 -8.937 -0.993 1.00 0.00 N ATOM 332 CA TRP A 24 2.651 -8.175 -0.191 1.00 0.00 C ATOM 333 C TRP A 24 3.337 -7.661 1.055 1.00 0.00 C ATOM 334 O TRP A 24 3.699 -8.432 1.940 1.00 0.00 O ATOM 335 CB TRP A 24 1.450 -9.045 0.194 1.00 0.00 C ATOM 336 CG TRP A 24 0.692 -9.543 -0.986 1.00 0.00 C ATOM 337 CD1 TRP A 24 0.879 -10.719 -1.657 1.00 0.00 C ATOM 338 CD2 TRP A 24 -0.356 -8.863 -1.651 1.00 0.00 C ATOM 339 NE1 TRP A 24 -0.004 -10.804 -2.703 1.00 0.00 N ATOM 340 CE2 TRP A 24 -0.774 -9.672 -2.722 1.00 0.00 C ATOM 341 CE3 TRP A 24 -0.987 -7.643 -1.442 1.00 0.00 C ATOM 342 CZ2 TRP A 24 -1.793 -9.290 -3.585 1.00 0.00 C ATOM 343 CZ3 TRP A 24 -1.985 -7.272 -2.290 1.00 0.00 C ATOM 344 CH2 TRP A 24 -2.383 -8.085 -3.351 1.00 0.00 C ATOM 0 H TRP A 24 3.411 -9.943 -0.956 1.00 0.00 H new ATOM 0 HA TRP A 24 2.301 -7.324 -0.775 1.00 0.00 H new ATOM 0 HB2 TRP A 24 1.797 -9.895 0.781 1.00 0.00 H new ATOM 0 HB3 TRP A 24 0.780 -8.469 0.833 1.00 0.00 H new ATOM 0 HD1 TRP A 24 1.613 -11.469 -1.402 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -0.075 -11.582 -3.359 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -0.692 -7.003 -0.624 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -2.104 -9.920 -4.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -2.481 -6.325 -2.137 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -3.177 -7.751 -4.002 1.00 0.00 H new ATOM 355 N VAL A 25 3.531 -6.380 1.109 1.00 0.00 N ATOM 356 CA VAL A 25 4.143 -5.756 2.241 1.00 0.00 C ATOM 357 C VAL A 25 3.094 -4.959 2.984 1.00 0.00 C ATOM 358 O VAL A 25 1.984 -4.746 2.466 1.00 0.00 O ATOM 359 CB VAL A 25 5.339 -4.826 1.839 1.00 0.00 C ATOM 360 CG1 VAL A 25 6.439 -5.623 1.148 1.00 0.00 C ATOM 361 CG2 VAL A 25 4.879 -3.667 0.950 1.00 0.00 C ATOM 0 H VAL A 25 3.268 -5.734 0.365 1.00 0.00 H new ATOM 0 HA VAL A 25 4.553 -6.539 2.878 1.00 0.00 H new ATOM 0 HB VAL A 25 5.743 -4.401 2.758 1.00 0.00 H new ATOM 0 HG11 VAL A 25 7.258 -4.956 0.879 1.00 0.00 H new ATOM 0 HG12 VAL A 25 6.808 -6.395 1.823 1.00 0.00 H new ATOM 0 HG13 VAL A 25 6.040 -6.089 0.247 1.00 0.00 H new ATOM 0 HG21 VAL A 25 5.736 -3.044 0.692 1.00 0.00 H new ATOM 0 HG22 VAL A 25 4.431 -4.063 0.039 1.00 0.00 H new ATOM 0 HG23 VAL A 25 4.143 -3.068 1.486 1.00 0.00 H new ATOM 371 N ARG A 26 3.417 -4.531 4.182 1.00 0.00 N ATOM 372 CA ARG A 26 2.501 -3.728 4.949 1.00 0.00 C ATOM 373 C ARG A 26 2.475 -2.349 4.350 1.00 0.00 C ATOM 374 O ARG A 26 3.530 -1.754 4.097 1.00 0.00 O ATOM 375 CB ARG A 26 2.931 -3.625 6.417 1.00 0.00 C ATOM 376 CG ARG A 26 1.964 -2.810 7.286 1.00 0.00 C ATOM 377 CD ARG A 26 2.552 -2.489 8.655 1.00 0.00 C ATOM 378 NE ARG A 26 2.875 -3.685 9.448 1.00 0.00 N ATOM 379 CZ ARG A 26 3.910 -3.769 10.317 1.00 0.00 C ATOM 380 NH1 ARG A 26 4.831 -2.803 10.384 1.00 0.00 N ATOM 381 NH2 ARG A 26 4.039 -4.853 11.091 1.00 0.00 N ATOM 0 H ARG A 26 4.305 -4.726 4.644 1.00 0.00 H new ATOM 0 HA ARG A 26 1.516 -4.195 4.920 1.00 0.00 H new ATOM 0 HB2 ARG A 26 3.020 -4.629 6.832 1.00 0.00 H new ATOM 0 HB3 ARG A 26 3.921 -3.171 6.466 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.712 -1.881 6.774 1.00 0.00 H new ATOM 0 HG3 ARG A 26 1.035 -3.366 7.413 1.00 0.00 H new ATOM 0 HD2 ARG A 26 3.456 -1.895 8.523 1.00 0.00 H new ATOM 0 HD3 ARG A 26 1.844 -1.874 9.211 1.00 0.00 H new ATOM 0 HE ARG A 26 2.280 -4.506 9.336 1.00 0.00 H new ATOM 0 HH11 ARG A 26 4.760 -1.988 9.775 1.00 0.00 H new ATOM 0 HH12 ARG A 26 5.605 -2.881 11.044 1.00 0.00 H new ATOM 0 HH21 ARG A 26 3.360 -5.611 11.025 1.00 0.00 H new ATOM 0 HH22 ARG A 26 4.817 -4.921 11.747 1.00 0.00 H new ATOM 395 N ALA A 27 1.318 -1.867 4.101 1.00 0.00 N ATOM 396 CA ALA A 27 1.145 -0.558 3.581 1.00 0.00 C ATOM 397 C ALA A 27 0.025 0.105 4.312 1.00 0.00 C ATOM 398 O ALA A 27 -0.713 -0.538 5.050 1.00 0.00 O ATOM 399 CB ALA A 27 0.882 -0.595 2.094 1.00 0.00 C ATOM 0 H ALA A 27 0.447 -2.376 4.254 1.00 0.00 H new ATOM 0 HA ALA A 27 2.060 0.015 3.727 1.00 0.00 H new ATOM 0 HB1 ALA A 27 0.753 0.421 1.722 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.726 -1.063 1.587 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.023 -1.170 1.899 1.00 0.00 H new ATOM 405 N ARG A 28 -0.084 1.363 4.144 1.00 0.00 N ATOM 406 CA ARG A 28 -1.080 2.141 4.802 1.00 0.00 C ATOM 407 C ARG A 28 -1.788 2.897 3.731 1.00 0.00 C ATOM 408 O ARG A 28 -1.147 3.340 2.774 1.00 0.00 O ATOM 409 CB ARG A 28 -0.390 3.142 5.734 1.00 0.00 C ATOM 410 CG ARG A 28 0.722 2.552 6.588 1.00 0.00 C ATOM 411 CD ARG A 28 1.544 3.647 7.234 1.00 0.00 C ATOM 412 NE ARG A 28 2.757 3.123 7.865 1.00 0.00 N ATOM 413 CZ ARG A 28 3.921 3.772 7.962 1.00 0.00 C ATOM 414 NH1 ARG A 28 4.095 4.970 7.380 1.00 0.00 N ATOM 415 NH2 ARG A 28 4.923 3.189 8.588 1.00 0.00 N ATOM 0 H ARG A 28 0.527 1.904 3.532 1.00 0.00 H new ATOM 0 HA ARG A 28 -1.762 1.519 5.381 1.00 0.00 H new ATOM 0 HB2 ARG A 28 0.023 3.952 5.133 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -1.140 3.582 6.391 1.00 0.00 H new ATOM 0 HG2 ARG A 28 0.294 1.911 7.358 1.00 0.00 H new ATOM 0 HG3 ARG A 28 1.365 1.924 5.972 1.00 0.00 H new ATOM 0 HD2 ARG A 28 1.817 4.387 6.482 1.00 0.00 H new ATOM 0 HD3 ARG A 28 0.940 4.161 7.981 1.00 0.00 H new ATOM 0 HE ARG A 28 2.710 2.185 8.263 1.00 0.00 H new ATOM 0 HH11 ARG A 28 3.332 5.397 6.855 1.00 0.00 H new ATOM 0 HH12 ARG A 28 4.990 5.452 7.464 1.00 0.00 H new ATOM 0 HH21 ARG A 28 4.802 2.259 8.988 1.00 0.00 H new ATOM 0 HH22 ARG A 28 5.820 3.668 8.673 1.00 0.00 H new ATOM 429 N VAL A 29 -3.066 3.029 3.837 1.00 0.00 N ATOM 430 CA VAL A 29 -3.791 3.809 2.879 1.00 0.00 C ATOM 431 C VAL A 29 -3.659 5.250 3.290 1.00 0.00 C ATOM 432 O VAL A 29 -4.163 5.642 4.313 1.00 0.00 O ATOM 433 CB VAL A 29 -5.281 3.412 2.814 1.00 0.00 C ATOM 434 CG1 VAL A 29 -6.028 4.255 1.781 1.00 0.00 C ATOM 435 CG2 VAL A 29 -5.437 1.937 2.497 1.00 0.00 C ATOM 0 H VAL A 29 -3.634 2.610 4.573 1.00 0.00 H new ATOM 0 HA VAL A 29 -3.380 3.636 1.884 1.00 0.00 H new ATOM 0 HB VAL A 29 -5.716 3.603 3.795 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -7.076 3.955 1.755 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -5.959 5.308 2.052 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -5.583 4.104 0.797 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -6.496 1.683 2.457 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -4.976 1.721 1.533 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -4.951 1.345 3.273 1.00 0.00 H new ATOM 445 N ILE A 30 -2.926 6.004 2.534 1.00 0.00 N ATOM 446 CA ILE A 30 -2.702 7.401 2.855 1.00 0.00 C ATOM 447 C ILE A 30 -3.742 8.247 2.226 1.00 0.00 C ATOM 448 O ILE A 30 -4.205 9.227 2.805 1.00 0.00 O ATOM 449 CB ILE A 30 -1.251 7.881 2.446 1.00 0.00 C ATOM 450 CG1 ILE A 30 -0.218 7.592 3.553 1.00 0.00 C ATOM 451 CG2 ILE A 30 -1.207 9.372 2.105 1.00 0.00 C ATOM 452 CD1 ILE A 30 -0.179 6.185 4.062 1.00 0.00 C ATOM 0 H ILE A 30 -2.464 5.685 1.682 1.00 0.00 H new ATOM 0 HA ILE A 30 -2.774 7.507 3.937 1.00 0.00 H new ATOM 0 HB ILE A 30 -0.993 7.309 1.555 1.00 0.00 H new ATOM 0 HG12 ILE A 30 0.772 7.848 3.175 1.00 0.00 H new ATOM 0 HG13 ILE A 30 -0.420 8.256 4.393 1.00 0.00 H new ATOM 0 HG21 ILE A 30 -0.190 9.653 1.831 1.00 0.00 H new ATOM 0 HG22 ILE A 30 -1.877 9.574 1.269 1.00 0.00 H new ATOM 0 HG23 ILE A 30 -1.523 9.953 2.972 1.00 0.00 H new ATOM 0 HD11 ILE A 30 0.583 6.099 4.836 1.00 0.00 H new ATOM 0 HD12 ILE A 30 -1.151 5.922 4.479 1.00 0.00 H new ATOM 0 HD13 ILE A 30 0.059 5.508 3.242 1.00 0.00 H new ATOM 464 N ARG A 31 -4.140 7.880 1.063 1.00 0.00 N ATOM 465 CA ARG A 31 -4.994 8.638 0.370 1.00 0.00 C ATOM 466 C ARG A 31 -5.877 7.822 -0.485 1.00 0.00 C ATOM 467 O ARG A 31 -5.477 6.831 -1.104 1.00 0.00 O ATOM 468 CB ARG A 31 -4.172 9.566 -0.434 1.00 0.00 C ATOM 469 CG ARG A 31 -4.763 9.994 -1.731 1.00 0.00 C ATOM 470 CD ARG A 31 -4.169 11.286 -2.285 1.00 0.00 C ATOM 471 NE ARG A 31 -2.760 11.159 -2.833 1.00 0.00 N ATOM 472 CZ ARG A 31 -1.542 11.140 -2.150 1.00 0.00 C ATOM 473 NH1 ARG A 31 -1.465 11.158 -0.826 1.00 0.00 N ATOM 474 NH2 ARG A 31 -0.408 11.103 -2.848 1.00 0.00 N ATOM 0 H ARG A 31 -3.850 7.021 0.596 1.00 0.00 H new ATOM 0 HA ARG A 31 -5.657 9.185 1.041 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -3.971 10.455 0.164 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -3.211 9.092 -0.633 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.623 9.198 -2.463 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.838 10.125 -1.604 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.819 11.657 -3.077 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.169 12.037 -1.495 1.00 0.00 H new ATOM 0 HE ARG A 31 -2.693 11.075 -3.847 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.317 11.187 -0.266 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -0.554 11.143 -0.368 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.437 11.089 -3.867 1.00 0.00 H new ATOM 0 HH22 ARG A 31 0.489 11.089 -2.363 1.00 0.00 H new ATOM 575 N VAL A 38 -5.974 4.669 -5.545 1.00 0.00 N ATOM 576 CA VAL A 38 -5.607 4.652 -4.173 1.00 0.00 C ATOM 577 C VAL A 38 -4.131 4.930 -4.066 1.00 0.00 C ATOM 578 O VAL A 38 -3.333 4.442 -4.890 1.00 0.00 O ATOM 579 CB VAL A 38 -5.949 3.306 -3.471 1.00 0.00 C ATOM 580 CG1 VAL A 38 -7.447 3.164 -3.243 1.00 0.00 C ATOM 581 CG2 VAL A 38 -5.433 2.109 -4.267 1.00 0.00 C ATOM 0 HA VAL A 38 -6.185 5.422 -3.662 1.00 0.00 H new ATOM 0 HB VAL A 38 -5.447 3.320 -2.504 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -7.652 2.213 -2.751 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.798 3.981 -2.613 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -7.965 3.196 -4.201 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -5.691 1.187 -3.746 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -5.890 2.106 -5.257 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.350 2.178 -4.367 1.00 0.00 H new ATOM 591 N VAL A 39 -3.766 5.778 -3.144 1.00 0.00 N ATOM 592 CA VAL A 39 -2.395 6.062 -2.904 1.00 0.00 C ATOM 593 C VAL A 39 -2.063 5.558 -1.516 1.00 0.00 C ATOM 594 O VAL A 39 -2.711 5.932 -0.521 1.00 0.00 O ATOM 595 CB VAL A 39 -2.083 7.563 -3.053 1.00 0.00 C ATOM 596 CG1 VAL A 39 -0.602 7.795 -2.952 1.00 0.00 C ATOM 597 CG2 VAL A 39 -2.613 8.101 -4.380 1.00 0.00 C ATOM 0 H VAL A 39 -4.416 6.286 -2.544 1.00 0.00 H new ATOM 0 HA VAL A 39 -1.776 5.559 -3.647 1.00 0.00 H new ATOM 0 HB VAL A 39 -2.582 8.099 -2.246 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.392 8.859 -3.059 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.245 7.450 -1.981 1.00 0.00 H new ATOM 0 HG13 VAL A 39 -0.093 7.244 -3.743 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -2.380 9.163 -4.461 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -2.145 7.563 -5.204 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -3.693 7.962 -4.423 1.00 0.00 H new ATOM 607 N VAL A 40 -1.091 4.713 -1.450 1.00 0.00 N ATOM 608 CA VAL A 40 -0.752 4.012 -0.258 1.00 0.00 C ATOM 609 C VAL A 40 0.706 4.195 -0.002 1.00 0.00 C ATOM 610 O VAL A 40 1.467 4.478 -0.917 1.00 0.00 O ATOM 611 CB VAL A 40 -1.062 2.475 -0.388 1.00 0.00 C ATOM 612 CG1 VAL A 40 -2.556 2.220 -0.552 1.00 0.00 C ATOM 613 CG2 VAL A 40 -0.303 1.861 -1.568 1.00 0.00 C ATOM 0 H VAL A 40 -0.494 4.484 -2.245 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.348 4.409 0.564 1.00 0.00 H new ATOM 0 HB VAL A 40 -0.729 2.001 0.535 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -2.735 1.148 -0.639 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -3.089 2.607 0.316 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -2.914 2.722 -1.451 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -0.534 0.798 -1.636 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -0.602 2.357 -2.491 1.00 0.00 H new ATOM 0 HG23 VAL A 40 0.769 1.990 -1.418 1.00 0.00 H new ATOM 623 N GLN A 41 1.084 4.064 1.204 1.00 0.00 N ATOM 624 CA GLN A 41 2.451 4.154 1.557 1.00 0.00 C ATOM 625 C GLN A 41 2.832 2.875 2.200 1.00 0.00 C ATOM 626 O GLN A 41 2.195 2.471 3.174 1.00 0.00 O ATOM 627 CB GLN A 41 2.693 5.311 2.527 1.00 0.00 C ATOM 628 CG GLN A 41 4.146 5.530 2.930 1.00 0.00 C ATOM 629 CD GLN A 41 4.300 6.517 4.069 1.00 0.00 C ATOM 630 OE1 GLN A 41 3.453 6.603 4.964 1.00 0.00 O ATOM 631 NE2 GLN A 41 5.357 7.288 4.035 1.00 0.00 N ATOM 0 H GLN A 41 0.453 3.890 1.987 1.00 0.00 H new ATOM 0 HA GLN A 41 3.050 4.339 0.666 1.00 0.00 H new ATOM 0 HB2 GLN A 41 2.317 6.228 2.074 1.00 0.00 H new ATOM 0 HB3 GLN A 41 2.106 5.137 3.428 1.00 0.00 H new ATOM 0 HG2 GLN A 41 4.585 4.576 3.221 1.00 0.00 H new ATOM 0 HG3 GLN A 41 4.707 5.889 2.067 1.00 0.00 H new ATOM 0 HE21 GLN A 41 6.036 7.189 3.281 1.00 0.00 H new ATOM 0 HE22 GLN A 41 5.502 7.988 4.763 1.00 0.00 H new ATOM 640 N SER A 42 3.804 2.202 1.633 1.00 0.00 N ATOM 641 CA SER A 42 4.371 1.050 2.253 1.00 0.00 C ATOM 642 C SER A 42 4.885 1.480 3.610 1.00 0.00 C ATOM 643 O SER A 42 5.346 2.616 3.769 1.00 0.00 O ATOM 644 CB SER A 42 5.513 0.502 1.402 1.00 0.00 C ATOM 645 OG SER A 42 5.056 0.077 0.147 1.00 0.00 O ATOM 0 H SER A 42 4.216 2.444 0.732 1.00 0.00 H new ATOM 0 HA SER A 42 3.627 0.260 2.356 1.00 0.00 H new ATOM 0 HB2 SER A 42 6.274 1.271 1.273 1.00 0.00 H new ATOM 0 HB3 SER A 42 5.987 -0.332 1.920 1.00 0.00 H new ATOM 0 HG SER A 42 5.823 -0.122 -0.430 1.00 0.00 H new ATOM 651 N ASP A 43 4.817 0.601 4.562 1.00 0.00 N ATOM 652 CA ASP A 43 5.171 0.895 5.959 1.00 0.00 C ATOM 653 C ASP A 43 6.642 1.340 6.080 1.00 0.00 C ATOM 654 O ASP A 43 7.040 2.008 7.022 1.00 0.00 O ATOM 655 CB ASP A 43 4.882 -0.337 6.806 1.00 0.00 C ATOM 656 CG ASP A 43 4.853 -0.072 8.291 1.00 0.00 C ATOM 657 OD1 ASP A 43 3.980 0.706 8.742 1.00 0.00 O ATOM 658 OD2 ASP A 43 5.600 -0.712 9.021 1.00 0.00 O ATOM 0 H ASP A 43 4.512 -0.361 4.411 1.00 0.00 H new ATOM 0 HA ASP A 43 4.567 1.726 6.323 1.00 0.00 H new ATOM 0 HB2 ASP A 43 3.922 -0.755 6.504 1.00 0.00 H new ATOM 0 HB3 ASP A 43 5.639 -1.093 6.598 1.00 0.00 H new ATOM 663 N GLN A 44 7.404 1.013 5.054 1.00 0.00 N ATOM 664 CA GLN A 44 8.799 1.384 4.935 1.00 0.00 C ATOM 665 C GLN A 44 8.975 2.825 4.390 1.00 0.00 C ATOM 666 O GLN A 44 10.090 3.294 4.219 1.00 0.00 O ATOM 667 CB GLN A 44 9.527 0.375 4.060 1.00 0.00 C ATOM 668 CG GLN A 44 8.902 0.169 2.696 1.00 0.00 C ATOM 669 CD GLN A 44 9.567 -0.933 1.907 1.00 0.00 C ATOM 670 OE1 GLN A 44 10.750 -1.205 2.064 1.00 0.00 O ATOM 671 NE2 GLN A 44 8.824 -1.539 1.023 1.00 0.00 N ATOM 0 H GLN A 44 7.061 0.469 4.262 1.00 0.00 H new ATOM 0 HA GLN A 44 9.237 1.372 5.933 1.00 0.00 H new ATOM 0 HB2 GLN A 44 10.558 0.703 3.929 1.00 0.00 H new ATOM 0 HB3 GLN A 44 9.560 -0.582 4.580 1.00 0.00 H new ATOM 0 HG2 GLN A 44 7.844 -0.065 2.818 1.00 0.00 H new ATOM 0 HG3 GLN A 44 8.959 1.099 2.131 1.00 0.00 H new ATOM 0 HE21 GLN A 44 7.842 -1.284 0.922 1.00 0.00 H new ATOM 0 HE22 GLN A 44 9.225 -2.268 0.433 1.00 0.00 H new ATOM 680 N GLY A 45 7.873 3.492 4.068 1.00 0.00 N ATOM 681 CA GLY A 45 7.947 4.897 3.715 1.00 0.00 C ATOM 682 C GLY A 45 7.558 5.274 2.292 1.00 0.00 C ATOM 683 O GLY A 45 7.298 6.446 2.033 1.00 0.00 O ATOM 0 H GLY A 45 6.936 3.089 4.045 1.00 0.00 H new ATOM 0 HA2 GLY A 45 7.306 5.452 4.400 1.00 0.00 H new ATOM 0 HA3 GLY A 45 8.968 5.236 3.888 1.00 0.00 H new ATOM 687 N ARG A 46 7.490 4.330 1.374 1.00 0.00 N ATOM 688 CA ARG A 46 7.190 4.660 0.003 1.00 0.00 C ATOM 689 C ARG A 46 5.699 4.887 -0.265 1.00 0.00 C ATOM 690 O ARG A 46 4.918 3.958 -0.170 1.00 0.00 O ATOM 691 CB ARG A 46 7.741 3.594 -0.936 1.00 0.00 C ATOM 692 CG ARG A 46 9.205 3.620 -1.105 1.00 0.00 C ATOM 693 CD ARG A 46 9.873 2.643 -0.220 1.00 0.00 C ATOM 694 NE ARG A 46 9.820 1.265 -0.742 1.00 0.00 N ATOM 695 CZ ARG A 46 10.902 0.458 -0.847 1.00 0.00 C ATOM 696 NH1 ARG A 46 12.104 0.878 -0.420 1.00 0.00 N ATOM 697 NH2 ARG A 46 10.777 -0.758 -1.339 1.00 0.00 N ATOM 0 H ARG A 46 7.638 3.337 1.554 1.00 0.00 H new ATOM 0 HA ARG A 46 7.683 5.613 -0.192 1.00 0.00 H new ATOM 0 HB2 ARG A 46 7.449 2.613 -0.561 1.00 0.00 H new ATOM 0 HB3 ARG A 46 7.274 3.713 -1.914 1.00 0.00 H new ATOM 0 HG2 ARG A 46 9.456 3.402 -2.143 1.00 0.00 H new ATOM 0 HG3 ARG A 46 9.579 4.621 -0.890 1.00 0.00 H new ATOM 0 HD2 ARG A 46 10.914 2.935 -0.085 1.00 0.00 H new ATOM 0 HD3 ARG A 46 9.404 2.672 0.764 1.00 0.00 H new ATOM 0 HE ARG A 46 8.916 0.899 -1.041 1.00 0.00 H new ATOM 0 HH11 ARG A 46 12.205 1.809 -0.014 1.00 0.00 H new ATOM 0 HH12 ARG A 46 12.916 0.266 -0.501 1.00 0.00 H new ATOM 0 HH21 ARG A 46 9.863 -1.094 -1.642 1.00 0.00 H new ATOM 0 HH22 ARG A 46 11.594 -1.363 -1.417 1.00 0.00 H new ATOM 711 N GLU A 47 5.325 6.133 -0.569 1.00 0.00 N ATOM 712 CA GLU A 47 3.954 6.463 -0.979 1.00 0.00 C ATOM 713 C GLU A 47 3.887 6.323 -2.494 1.00 0.00 C ATOM 714 O GLU A 47 4.742 6.854 -3.209 1.00 0.00 O ATOM 715 CB GLU A 47 3.555 7.919 -0.602 1.00 0.00 C ATOM 716 CG GLU A 47 2.072 8.211 -0.894 1.00 0.00 C ATOM 717 CD GLU A 47 1.678 9.693 -0.920 1.00 0.00 C ATOM 718 OE1 GLU A 47 1.941 10.364 -1.938 1.00 0.00 O ATOM 719 OE2 GLU A 47 0.985 10.169 0.002 1.00 0.00 O ATOM 0 H GLU A 47 5.955 6.935 -0.539 1.00 0.00 H new ATOM 0 HA GLU A 47 3.267 5.791 -0.465 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.755 8.086 0.457 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.178 8.620 -1.158 1.00 0.00 H new ATOM 0 HG2 GLU A 47 1.817 7.769 -1.857 1.00 0.00 H new ATOM 0 HG3 GLU A 47 1.466 7.706 -0.141 1.00 0.00 H new ATOM 726 N PHE A 48 2.927 5.586 -2.964 1.00 0.00 N ATOM 727 CA PHE A 48 2.724 5.373 -4.372 1.00 0.00 C ATOM 728 C PHE A 48 1.284 5.017 -4.617 1.00 0.00 C ATOM 729 O PHE A 48 0.530 4.764 -3.681 1.00 0.00 O ATOM 730 CB PHE A 48 3.664 4.274 -4.932 1.00 0.00 C ATOM 731 CG PHE A 48 3.620 2.971 -4.177 1.00 0.00 C ATOM 732 CD1 PHE A 48 2.699 1.979 -4.493 1.00 0.00 C ATOM 733 CD2 PHE A 48 4.501 2.747 -3.146 1.00 0.00 C ATOM 734 CE1 PHE A 48 2.671 0.798 -3.780 1.00 0.00 C ATOM 735 CE2 PHE A 48 4.477 1.580 -2.440 1.00 0.00 C ATOM 736 CZ PHE A 48 3.565 0.601 -2.749 1.00 0.00 C ATOM 0 H PHE A 48 2.249 5.106 -2.373 1.00 0.00 H new ATOM 0 HA PHE A 48 2.968 6.296 -4.898 1.00 0.00 H new ATOM 0 HB2 PHE A 48 3.402 4.085 -5.973 1.00 0.00 H new ATOM 0 HB3 PHE A 48 4.687 4.650 -4.924 1.00 0.00 H new ATOM 0 HD1 PHE A 48 2.001 2.134 -5.302 1.00 0.00 H new ATOM 0 HD2 PHE A 48 5.224 3.507 -2.891 1.00 0.00 H new ATOM 0 HE1 PHE A 48 1.952 0.031 -4.028 1.00 0.00 H new ATOM 0 HE2 PHE A 48 5.179 1.425 -1.634 1.00 0.00 H new ATOM 0 HZ PHE A 48 3.548 -0.321 -2.186 1.00 0.00 H new ATOM 746 N THR A 49 0.899 4.982 -5.842 1.00 0.00 N ATOM 747 CA THR A 49 -0.434 4.656 -6.170 1.00 0.00 C ATOM 748 C THR A 49 -0.432 3.257 -6.763 1.00 0.00 C ATOM 749 O THR A 49 0.464 2.907 -7.533 1.00 0.00 O ATOM 750 CB THR A 49 -1.051 5.729 -7.132 1.00 0.00 C ATOM 751 OG1 THR A 49 -2.456 5.548 -7.302 1.00 0.00 O ATOM 752 CG2 THR A 49 -0.358 5.756 -8.492 1.00 0.00 C ATOM 0 H THR A 49 1.501 5.179 -6.641 1.00 0.00 H new ATOM 0 HA THR A 49 -1.069 4.662 -5.284 1.00 0.00 H new ATOM 0 HB THR A 49 -0.884 6.693 -6.651 1.00 0.00 H new ATOM 0 HG1 THR A 49 -2.836 5.158 -6.488 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.822 6.515 -9.122 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.698 5.991 -8.358 1.00 0.00 H new ATOM 0 HG23 THR A 49 -0.455 4.781 -8.969 1.00 0.00 H new ATOM 760 N ALA A 50 -1.370 2.457 -6.358 1.00 0.00 N ATOM 761 CA ALA A 50 -1.430 1.098 -6.802 1.00 0.00 C ATOM 762 C ALA A 50 -2.837 0.775 -7.231 1.00 0.00 C ATOM 763 O ALA A 50 -3.748 1.591 -7.053 1.00 0.00 O ATOM 764 CB ALA A 50 -0.978 0.172 -5.681 1.00 0.00 C ATOM 0 H ALA A 50 -2.113 2.726 -5.713 1.00 0.00 H new ATOM 0 HA ALA A 50 -0.764 0.956 -7.653 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -1.025 -0.862 -6.022 1.00 0.00 H new ATOM 0 HB2 ALA A 50 0.046 0.415 -5.399 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -1.632 0.299 -4.818 1.00 0.00 H new ATOM 770 N ARG A 51 -3.020 -0.388 -7.800 1.00 0.00 N ATOM 771 CA ARG A 51 -4.334 -0.822 -8.229 1.00 0.00 C ATOM 772 C ARG A 51 -5.037 -1.504 -7.073 1.00 0.00 C ATOM 773 O ARG A 51 -4.394 -1.933 -6.129 1.00 0.00 O ATOM 774 CB ARG A 51 -4.228 -1.847 -9.357 1.00 0.00 C ATOM 775 CG ARG A 51 -3.571 -1.380 -10.637 1.00 0.00 C ATOM 776 CD ARG A 51 -3.574 -2.520 -11.642 1.00 0.00 C ATOM 777 NE ARG A 51 -2.950 -2.172 -12.921 1.00 0.00 N ATOM 778 CZ ARG A 51 -3.010 -2.941 -14.028 1.00 0.00 C ATOM 779 NH1 ARG A 51 -3.710 -4.091 -14.011 1.00 0.00 N ATOM 780 NH2 ARG A 51 -2.380 -2.559 -15.146 1.00 0.00 N ATOM 0 H ARG A 51 -2.273 -1.059 -7.980 1.00 0.00 H new ATOM 0 HA ARG A 51 -4.882 0.056 -8.572 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -3.673 -2.708 -8.984 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -5.233 -2.195 -9.597 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -4.105 -0.520 -11.042 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -2.549 -1.056 -10.439 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.051 -3.374 -11.212 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -4.603 -2.833 -11.822 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.437 -1.292 -12.978 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -4.195 -4.381 -13.161 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.756 -4.673 -14.848 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -1.854 -1.685 -15.162 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -2.426 -3.142 -15.982 1.00 0.00 H new ATOM 794 N GLY A 52 -6.348 -1.701 -7.196 1.00 0.00 N ATOM 795 CA GLY A 52 -7.105 -2.459 -6.181 1.00 0.00 C ATOM 796 C GLY A 52 -6.829 -3.949 -6.277 1.00 0.00 C ATOM 797 O GLY A 52 -7.423 -4.774 -5.570 1.00 0.00 O ATOM 0 H GLY A 52 -6.909 -1.355 -7.974 1.00 0.00 H new ATOM 0 HA2 GLY A 52 -6.839 -2.102 -5.186 1.00 0.00 H new ATOM 0 HA3 GLY A 52 -8.172 -2.277 -6.310 1.00 0.00 H new ATOM 801 N ASN A 53 -5.948 -4.281 -7.187 1.00 0.00 N ATOM 802 CA ASN A 53 -5.471 -5.629 -7.382 1.00 0.00 C ATOM 803 C ASN A 53 -4.249 -5.805 -6.524 1.00 0.00 C ATOM 804 O ASN A 53 -3.936 -6.884 -6.071 1.00 0.00 O ATOM 805 CB ASN A 53 -5.056 -5.847 -8.846 1.00 0.00 C ATOM 806 CG ASN A 53 -6.150 -5.557 -9.850 1.00 0.00 C ATOM 807 OD1 ASN A 53 -5.875 -5.120 -10.971 1.00 0.00 O ATOM 808 ND2 ASN A 53 -7.382 -5.765 -9.459 1.00 0.00 N ATOM 0 H ASN A 53 -5.532 -3.606 -7.829 1.00 0.00 H new ATOM 0 HA ASN A 53 -6.259 -6.336 -7.124 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -4.198 -5.212 -9.067 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -4.729 -6.880 -8.969 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -8.158 -5.565 -10.090 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -7.566 -6.127 -8.523 1.00 0.00 H new ATOM 815 N GLN A 54 -3.592 -4.690 -6.285 1.00 0.00 N ATOM 816 CA GLN A 54 -2.349 -4.642 -5.556 1.00 0.00 C ATOM 817 C GLN A 54 -2.594 -4.299 -4.124 1.00 0.00 C ATOM 818 O GLN A 54 -1.712 -4.446 -3.300 1.00 0.00 O ATOM 819 CB GLN A 54 -1.451 -3.575 -6.145 1.00 0.00 C ATOM 820 CG GLN A 54 -0.874 -3.883 -7.496 1.00 0.00 C ATOM 821 CD GLN A 54 -0.092 -2.710 -8.012 1.00 0.00 C ATOM 822 OE1 GLN A 54 -0.644 -1.852 -8.709 1.00 0.00 O ATOM 823 NE2 GLN A 54 1.157 -2.617 -7.620 1.00 0.00 N ATOM 0 H GLN A 54 -3.916 -3.775 -6.599 1.00 0.00 H new ATOM 0 HA GLN A 54 -1.878 -5.622 -5.626 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -2.018 -2.647 -6.216 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -0.629 -3.394 -5.452 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -0.228 -4.759 -7.431 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -1.675 -4.129 -8.193 1.00 0.00 H new ATOM 0 HE21 GLN A 54 1.567 -3.353 -7.045 1.00 0.00 H new ATOM 0 HE22 GLN A 54 1.718 -1.809 -7.890 1.00 0.00 H new ATOM 832 N VAL A 55 -3.775 -3.817 -3.833 1.00 0.00 N ATOM 833 CA VAL A 55 -4.084 -3.399 -2.485 1.00 0.00 C ATOM 834 C VAL A 55 -5.247 -4.156 -2.011 1.00 0.00 C ATOM 835 O VAL A 55 -6.317 -4.147 -2.634 1.00 0.00 O ATOM 836 CB VAL A 55 -4.412 -1.886 -2.351 1.00 0.00 C ATOM 837 CG1 VAL A 55 -4.583 -1.457 -0.896 1.00 0.00 C ATOM 838 CG2 VAL A 55 -3.427 -0.994 -3.095 1.00 0.00 C ATOM 0 H VAL A 55 -4.535 -3.704 -4.504 1.00 0.00 H new ATOM 0 HA VAL A 55 -3.189 -3.589 -1.892 1.00 0.00 H new ATOM 0 HB VAL A 55 -5.376 -1.748 -2.840 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.811 -0.392 -0.855 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -5.399 -2.020 -0.444 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -3.661 -1.652 -0.348 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -3.710 0.050 -2.963 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -2.424 -1.151 -2.699 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -3.441 -1.242 -4.156 1.00 0.00 H new ATOM 848 N ARG A 56 -5.047 -4.829 -0.943 1.00 0.00 N ATOM 849 CA ARG A 56 -6.039 -5.585 -0.359 1.00 0.00 C ATOM 850 C ARG A 56 -6.078 -5.238 1.093 1.00 0.00 C ATOM 851 O ARG A 56 -5.027 -5.107 1.728 1.00 0.00 O ATOM 852 CB ARG A 56 -5.701 -7.032 -0.526 1.00 0.00 C ATOM 853 CG ARG A 56 -5.389 -7.418 -1.957 1.00 0.00 C ATOM 854 CD ARG A 56 -6.549 -7.226 -2.926 1.00 0.00 C ATOM 855 NE ARG A 56 -7.784 -7.914 -2.516 1.00 0.00 N ATOM 856 CZ ARG A 56 -9.008 -7.554 -2.935 1.00 0.00 C ATOM 857 NH1 ARG A 56 -9.153 -6.502 -3.765 1.00 0.00 N ATOM 858 NH2 ARG A 56 -10.086 -8.239 -2.523 1.00 0.00 N ATOM 0 H ARG A 56 -4.154 -4.858 -0.450 1.00 0.00 H new ATOM 0 HA ARG A 56 -7.008 -5.389 -0.819 1.00 0.00 H new ATOM 0 HB2 ARG A 56 -4.843 -7.271 0.102 1.00 0.00 H new ATOM 0 HB3 ARG A 56 -6.535 -7.636 -0.169 1.00 0.00 H new ATOM 0 HG2 ARG A 56 -4.540 -6.828 -2.303 1.00 0.00 H new ATOM 0 HG3 ARG A 56 -5.081 -8.463 -1.980 1.00 0.00 H new ATOM 0 HD2 ARG A 56 -6.754 -6.160 -3.027 1.00 0.00 H new ATOM 0 HD3 ARG A 56 -6.252 -7.588 -3.910 1.00 0.00 H new ATOM 0 HE ARG A 56 -7.706 -8.707 -1.879 1.00 0.00 H new ATOM 0 HH11 ARG A 56 -8.333 -5.980 -4.075 1.00 0.00 H new ATOM 0 HH12 ARG A 56 -10.082 -6.228 -4.084 1.00 0.00 H new ATOM 0 HH21 ARG A 56 -9.975 -9.033 -1.892 1.00 0.00 H new ATOM 0 HH22 ARG A 56 -11.016 -7.966 -2.841 1.00 0.00 H new ATOM 872 N LEU A 57 -7.250 -5.022 1.590 1.00 0.00 N ATOM 873 CA LEU A 57 -7.454 -4.771 3.014 1.00 0.00 C ATOM 874 C LEU A 57 -7.036 -5.971 3.891 1.00 0.00 C ATOM 875 O LEU A 57 -6.618 -7.024 3.369 1.00 0.00 O ATOM 876 CB LEU A 57 -8.896 -4.288 3.296 1.00 0.00 C ATOM 877 CG LEU A 57 -10.044 -5.083 2.649 1.00 0.00 C ATOM 878 CD1 LEU A 57 -10.210 -6.477 3.249 1.00 0.00 C ATOM 879 CD2 LEU A 57 -11.348 -4.302 2.707 1.00 0.00 C ATOM 0 H LEU A 57 -8.107 -5.010 1.036 1.00 0.00 H new ATOM 0 HA LEU A 57 -6.787 -3.958 3.301 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.049 -4.292 4.375 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -8.975 -3.252 2.967 1.00 0.00 H new ATOM 0 HG LEU A 57 -9.774 -5.227 1.603 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -11.034 -6.991 2.754 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -9.291 -7.046 3.108 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -10.424 -6.391 4.314 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.143 -4.886 2.243 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.605 -4.100 3.747 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -11.231 -3.359 2.173 1.00 0.00 H new ATOM 891 N ILE A 58 -7.117 -5.803 5.195 1.00 0.00 N ATOM 892 CA ILE A 58 -6.760 -6.858 6.137 1.00 0.00 C ATOM 893 C ILE A 58 -7.731 -8.046 6.129 1.00 0.00 C ATOM 894 O ILE A 58 -8.741 -8.055 6.821 1.00 0.00 O ATOM 895 CB ILE A 58 -6.501 -6.344 7.581 1.00 0.00 C ATOM 896 CG1 ILE A 58 -7.637 -5.408 8.063 1.00 0.00 C ATOM 897 CG2 ILE A 58 -5.138 -5.667 7.668 1.00 0.00 C ATOM 898 CD1 ILE A 58 -7.479 -4.915 9.490 1.00 0.00 C ATOM 0 H ILE A 58 -7.430 -4.938 5.636 1.00 0.00 H new ATOM 0 HA ILE A 58 -5.807 -7.233 5.764 1.00 0.00 H new ATOM 0 HB ILE A 58 -6.494 -7.203 8.252 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -7.689 -4.546 7.397 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -8.587 -5.935 7.976 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -4.972 -5.313 8.685 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -4.359 -6.381 7.401 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -5.107 -4.822 6.980 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -8.317 -4.266 9.746 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -7.459 -5.767 10.169 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -6.547 -4.357 9.581 1.00 0.00 H new