USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 516 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 59 GLN : amide:sc= -3.66! K(o=-3.8!,f=0.043) USER MOD Set 1.2: A 61 TYR OH : rot -30:sc= 0.0414 USER MOD Set 1.3: A 64 GLN : amide:sc= -0.186 K(o=-3.8,f=-0.76!) USER MOD Single : A 11 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -159:sc= -0.0186 (180deg=-0.155) USER MOD Single : A 15 TYR OH : rot 180:sc= -1.94! USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HE2:sc= -1.56 X(o=-1.6,f=-1.7) USER MOD Single : A 38 ASN : amide:sc= -4.6! C(o=-4.6!,f=-5.9!) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -1.56 K(o=-1.6,f=-5.1!) USER MOD Single : A 57 SER OG : rot 88:sc= -2.66! USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.047) USER MOD Single : A 63 HIS : no HD1:sc= -0.305 X(o=-0.3,f=-0.28) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 142 N HIS A 11 -0.522 -17.022 1.159 1.00 0.00 N ATOM 143 CA HIS A 11 -0.109 -15.663 0.827 1.00 0.00 C ATOM 144 C HIS A 11 1.326 -15.402 1.276 1.00 0.00 C ATOM 145 O HIS A 11 2.044 -16.324 1.664 1.00 0.00 O ATOM 146 CB HIS A 11 -1.054 -14.648 1.473 1.00 0.00 C ATOM 147 CG HIS A 11 -2.501 -14.935 1.217 1.00 0.00 C ATOM 148 ND1 HIS A 11 -3.001 -15.005 -0.059 1.00 0.00 N ATOM 149 CD2 HIS A 11 -3.503 -15.162 2.099 1.00 0.00 C ATOM 150 CE1 HIS A 11 -4.288 -15.271 0.071 1.00 0.00 C ATOM 151 NE2 HIS A 11 -4.639 -15.376 1.362 1.00 0.00 N ATOM 0 HA HIS A 11 -0.154 -15.551 -0.256 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -0.879 -14.633 2.549 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -0.817 -13.652 1.098 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -3.423 -15.172 3.176 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -4.971 -15.389 -0.757 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -5.571 -15.576 1.725 1.00 0.00 H new ATOM 159 N ILE A 12 1.737 -14.139 1.219 1.00 0.00 N ATOM 160 CA ILE A 12 3.085 -13.750 1.617 1.00 0.00 C ATOM 161 C ILE A 12 3.192 -13.624 3.134 1.00 0.00 C ATOM 162 O ILE A 12 2.196 -13.378 3.815 1.00 0.00 O ATOM 163 CB ILE A 12 3.493 -12.407 0.973 1.00 0.00 C ATOM 164 CG1 ILE A 12 4.953 -12.076 1.299 1.00 0.00 C ATOM 165 CG2 ILE A 12 2.574 -11.289 1.445 1.00 0.00 C ATOM 166 CD1 ILE A 12 5.829 -11.930 0.075 1.00 0.00 C ATOM 0 H ILE A 12 1.154 -13.366 0.900 1.00 0.00 H new ATOM 0 HA ILE A 12 3.759 -14.533 1.270 1.00 0.00 H new ATOM 0 HB ILE A 12 3.395 -12.500 -0.109 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.987 -11.150 1.873 1.00 0.00 H new ATOM 0 HG13 ILE A 12 5.361 -12.861 1.936 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.876 -10.350 0.981 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.547 -11.519 1.163 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.641 -11.196 2.529 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.848 -11.696 0.383 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.825 -12.863 -0.488 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.446 -11.126 -0.553 1.00 0.00 H new ATOM 178 N SER A 13 4.406 -13.785 3.655 1.00 0.00 N ATOM 179 CA SER A 13 4.640 -13.676 5.090 1.00 0.00 C ATOM 180 C SER A 13 4.102 -12.349 5.608 1.00 0.00 C ATOM 181 O SER A 13 3.402 -12.302 6.618 1.00 0.00 O ATOM 182 CB SER A 13 6.134 -13.788 5.399 1.00 0.00 C ATOM 183 OG SER A 13 6.404 -13.432 6.745 1.00 0.00 O ATOM 0 H SER A 13 5.240 -13.991 3.105 1.00 0.00 H new ATOM 0 HA SER A 13 4.118 -14.492 5.589 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.471 -14.808 5.214 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.697 -13.140 4.728 1.00 0.00 H new ATOM 0 HG SER A 13 7.365 -13.513 6.918 1.00 0.00 H new ATOM 189 N LYS A 14 4.431 -11.273 4.896 1.00 0.00 N ATOM 190 CA LYS A 14 3.977 -9.941 5.272 1.00 0.00 C ATOM 191 C LYS A 14 4.344 -8.912 4.203 1.00 0.00 C ATOM 192 O LYS A 14 5.405 -8.994 3.585 1.00 0.00 O ATOM 193 CB LYS A 14 4.588 -9.536 6.614 1.00 0.00 C ATOM 194 CG LYS A 14 6.108 -9.540 6.617 1.00 0.00 C ATOM 195 CD LYS A 14 6.668 -8.137 6.786 1.00 0.00 C ATOM 196 CE LYS A 14 7.772 -8.099 7.832 1.00 0.00 C ATOM 197 NZ LYS A 14 7.249 -8.366 9.199 1.00 0.00 N ATOM 0 H LYS A 14 5.010 -11.300 4.057 1.00 0.00 H new ATOM 0 HA LYS A 14 2.891 -9.968 5.363 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.235 -8.539 6.878 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.230 -10.216 7.387 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.470 -10.177 7.424 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.474 -9.969 5.684 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.057 -7.782 5.832 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.867 -7.457 7.076 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.533 -8.838 7.584 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.257 -7.123 7.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 7.916 -7.994 9.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 6.327 -7.900 9.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.138 -9.391 9.334 1.00 0.00 H new ATOM 211 N TYR A 15 3.457 -7.942 4.003 1.00 0.00 N ATOM 212 CA TYR A 15 3.673 -6.883 3.025 1.00 0.00 C ATOM 213 C TYR A 15 4.016 -5.574 3.727 1.00 0.00 C ATOM 214 O TYR A 15 3.477 -5.280 4.791 1.00 0.00 O ATOM 215 CB TYR A 15 2.417 -6.693 2.174 1.00 0.00 C ATOM 216 CG TYR A 15 2.695 -6.270 0.753 1.00 0.00 C ATOM 217 CD1 TYR A 15 3.364 -5.085 0.481 1.00 0.00 C ATOM 218 CD2 TYR A 15 2.286 -7.055 -0.315 1.00 0.00 C ATOM 219 CE1 TYR A 15 3.618 -4.694 -0.816 1.00 0.00 C ATOM 220 CE2 TYR A 15 2.535 -6.671 -1.617 1.00 0.00 C ATOM 221 CZ TYR A 15 3.202 -5.491 -1.864 1.00 0.00 C ATOM 222 OH TYR A 15 3.453 -5.105 -3.161 1.00 0.00 O ATOM 0 H TYR A 15 2.575 -7.868 4.510 1.00 0.00 H new ATOM 0 HA TYR A 15 4.505 -7.170 2.382 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.855 -7.627 2.161 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.780 -5.945 2.647 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.691 -4.459 1.298 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.764 -7.981 -0.125 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.140 -3.769 -1.012 1.00 0.00 H new ATOM 0 HE2 TYR A 15 2.209 -7.292 -2.438 1.00 0.00 H new ATOM 0 HH TYR A 15 3.096 -5.778 -3.778 1.00 0.00 H new ATOM 232 N ILE A 16 4.901 -4.785 3.127 1.00 0.00 N ATOM 233 CA ILE A 16 5.289 -3.507 3.709 1.00 0.00 C ATOM 234 C ILE A 16 4.878 -2.350 2.810 1.00 0.00 C ATOM 235 O ILE A 16 5.337 -2.237 1.674 1.00 0.00 O ATOM 236 CB ILE A 16 6.808 -3.428 3.970 1.00 0.00 C ATOM 237 CG1 ILE A 16 7.203 -4.347 5.131 1.00 0.00 C ATOM 238 CG2 ILE A 16 7.226 -1.990 4.263 1.00 0.00 C ATOM 239 CD1 ILE A 16 6.445 -4.070 6.412 1.00 0.00 C ATOM 0 H ILE A 16 5.360 -5.007 2.244 1.00 0.00 H new ATOM 0 HA ILE A 16 4.768 -3.431 4.664 1.00 0.00 H new ATOM 0 HB ILE A 16 7.328 -3.763 3.073 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.034 -5.383 4.836 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.271 -4.239 5.321 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.300 -1.953 4.445 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.980 -1.359 3.409 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.696 -1.630 5.145 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.778 -4.759 7.188 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.633 -3.045 6.732 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.377 -4.206 6.240 1.00 0.00 H new ATOM 251 N LEU A 17 4.021 -1.485 3.336 1.00 0.00 N ATOM 252 CA LEU A 17 3.557 -0.326 2.592 1.00 0.00 C ATOM 253 C LEU A 17 4.234 0.928 3.124 1.00 0.00 C ATOM 254 O LEU A 17 4.034 1.310 4.276 1.00 0.00 O ATOM 255 CB LEU A 17 2.036 -0.199 2.709 1.00 0.00 C ATOM 256 CG LEU A 17 1.417 1.004 1.990 1.00 0.00 C ATOM 257 CD1 LEU A 17 1.780 1.001 0.512 1.00 0.00 C ATOM 258 CD2 LEU A 17 -0.094 1.006 2.169 1.00 0.00 C ATOM 0 H LEU A 17 3.634 -1.566 4.276 1.00 0.00 H new ATOM 0 HA LEU A 17 3.814 -0.449 1.540 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.582 -1.108 2.316 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.774 -0.143 3.766 1.00 0.00 H new ATOM 0 HG LEU A 17 1.822 1.913 2.434 1.00 0.00 H new ATOM 0 HD11 LEU A 17 1.328 1.865 0.025 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.864 1.048 0.403 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.408 0.087 0.048 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -0.520 1.866 1.653 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.511 0.089 1.752 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.335 1.064 3.231 1.00 0.00 H new ATOM 270 N ARG A 18 5.049 1.558 2.287 1.00 0.00 N ATOM 271 CA ARG A 18 5.760 2.761 2.695 1.00 0.00 C ATOM 272 C ARG A 18 5.367 3.956 1.840 1.00 0.00 C ATOM 273 O ARG A 18 5.397 3.889 0.612 1.00 0.00 O ATOM 274 CB ARG A 18 7.274 2.539 2.620 1.00 0.00 C ATOM 275 CG ARG A 18 7.689 1.424 1.672 1.00 0.00 C ATOM 276 CD ARG A 18 8.794 0.566 2.268 1.00 0.00 C ATOM 277 NE ARG A 18 9.867 0.312 1.311 1.00 0.00 N ATOM 278 CZ ARG A 18 10.805 -0.616 1.480 1.00 0.00 C ATOM 279 NH1 ARG A 18 10.806 -1.373 2.569 1.00 0.00 N ATOM 280 NH2 ARG A 18 11.744 -0.787 0.561 1.00 0.00 N ATOM 0 H ARG A 18 5.233 1.258 1.329 1.00 0.00 H new ATOM 0 HA ARG A 18 5.481 2.976 3.726 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.752 3.467 2.305 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.647 2.311 3.618 1.00 0.00 H new ATOM 0 HG2 ARG A 18 6.825 0.799 1.444 1.00 0.00 H new ATOM 0 HG3 ARG A 18 8.029 1.854 0.730 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.203 1.062 3.148 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.375 -0.383 2.603 1.00 0.00 H new ATOM 0 HE ARG A 18 9.899 0.879 0.464 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.086 -1.245 3.280 1.00 0.00 H new ATOM 0 HH12 ARG A 18 11.527 -2.084 2.695 1.00 0.00 H new ATOM 0 HH21 ARG A 18 11.748 -0.207 -0.278 1.00 0.00 H new ATOM 0 HH22 ARG A 18 12.462 -1.499 0.692 1.00 0.00 H new ATOM 294 N TRP A 19 5.003 5.054 2.499 1.00 0.00 N ATOM 295 CA TRP A 19 4.616 6.261 1.798 1.00 0.00 C ATOM 296 C TRP A 19 5.158 7.488 2.499 1.00 0.00 C ATOM 297 O TRP A 19 5.295 7.518 3.723 1.00 0.00 O ATOM 298 CB TRP A 19 3.101 6.360 1.693 1.00 0.00 C ATOM 299 CG TRP A 19 2.415 6.388 3.024 1.00 0.00 C ATOM 300 CD1 TRP A 19 2.029 7.498 3.709 1.00 0.00 C ATOM 301 CD2 TRP A 19 2.042 5.268 3.833 1.00 0.00 C ATOM 302 NE1 TRP A 19 1.430 7.143 4.893 1.00 0.00 N ATOM 303 CE2 TRP A 19 1.427 5.778 4.993 1.00 0.00 C ATOM 304 CE3 TRP A 19 2.163 3.885 3.690 1.00 0.00 C ATOM 305 CZ2 TRP A 19 0.935 4.951 6.001 1.00 0.00 C ATOM 306 CZ3 TRP A 19 1.676 3.067 4.693 1.00 0.00 C ATOM 307 CH2 TRP A 19 1.069 3.601 5.834 1.00 0.00 C ATOM 0 H TRP A 19 4.970 5.126 3.516 1.00 0.00 H new ATOM 0 HA TRP A 19 5.039 6.212 0.795 1.00 0.00 H new ATOM 0 HB2 TRP A 19 2.840 7.262 1.139 1.00 0.00 H new ATOM 0 HB3 TRP A 19 2.728 5.513 1.117 1.00 0.00 H new ATOM 0 HD1 TRP A 19 2.173 8.513 3.370 1.00 0.00 H new ATOM 0 HE1 TRP A 19 1.050 7.790 5.584 1.00 0.00 H new ATOM 0 HE3 TRP A 19 2.628 3.461 2.812 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 0.465 5.362 6.882 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 1.766 1.995 4.593 1.00 0.00 H new ATOM 0 HH2 TRP A 19 0.699 2.934 6.598 1.00 0.00 H new ATOM 318 N ARG A 20 5.462 8.494 1.706 1.00 0.00 N ATOM 319 CA ARG A 20 5.986 9.748 2.220 1.00 0.00 C ATOM 320 C ARG A 20 5.828 10.854 1.178 1.00 0.00 C ATOM 321 O ARG A 20 5.795 10.580 -0.022 1.00 0.00 O ATOM 322 CB ARG A 20 7.452 9.567 2.643 1.00 0.00 C ATOM 323 CG ARG A 20 8.411 10.597 2.073 1.00 0.00 C ATOM 324 CD ARG A 20 9.508 9.934 1.266 1.00 0.00 C ATOM 325 NE ARG A 20 9.890 10.734 0.112 1.00 0.00 N ATOM 326 CZ ARG A 20 11.137 10.836 -0.339 1.00 0.00 C ATOM 327 NH1 ARG A 20 12.124 10.191 0.271 1.00 0.00 N ATOM 328 NH2 ARG A 20 11.401 11.585 -1.400 1.00 0.00 N ATOM 0 H ARG A 20 5.355 8.469 0.692 1.00 0.00 H new ATOM 0 HA ARG A 20 5.418 10.046 3.101 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.508 9.602 3.731 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.784 8.574 2.338 1.00 0.00 H new ATOM 0 HG2 ARG A 20 7.864 11.297 1.442 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.852 11.176 2.884 1.00 0.00 H new ATOM 0 HD2 ARG A 20 10.379 9.773 1.901 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.171 8.953 0.932 1.00 0.00 H new ATOM 0 HE ARG A 20 9.158 11.247 -0.380 1.00 0.00 H new ATOM 0 HH11 ARG A 20 11.927 9.614 1.089 1.00 0.00 H new ATOM 0 HH12 ARG A 20 13.079 10.272 -0.078 1.00 0.00 H new ATOM 0 HH21 ARG A 20 10.647 12.084 -1.872 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.358 11.662 -1.744 1.00 0.00 H new ATOM 342 N PRO A 21 5.726 12.121 1.615 1.00 0.00 N ATOM 343 CA PRO A 21 5.566 13.257 0.699 1.00 0.00 C ATOM 344 C PRO A 21 6.717 13.362 -0.298 1.00 0.00 C ATOM 345 O PRO A 21 7.848 13.681 0.069 1.00 0.00 O ATOM 346 CB PRO A 21 5.547 14.472 1.633 1.00 0.00 C ATOM 347 CG PRO A 21 5.150 13.922 2.958 1.00 0.00 C ATOM 348 CD PRO A 21 5.749 12.551 3.023 1.00 0.00 C ATOM 0 HA PRO A 21 4.669 13.164 0.087 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.525 14.951 1.680 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.839 15.226 1.288 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.519 14.550 3.769 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.065 13.880 3.056 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.762 12.570 3.424 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.167 11.885 3.660 1.00 0.00 H new ATOM 356 N LYS A 22 6.414 13.084 -1.563 1.00 0.00 N ATOM 357 CA LYS A 22 7.409 13.136 -2.630 1.00 0.00 C ATOM 358 C LYS A 22 7.925 14.558 -2.838 1.00 0.00 C ATOM 359 O LYS A 22 9.083 14.759 -3.205 1.00 0.00 O ATOM 360 CB LYS A 22 6.803 12.604 -3.931 1.00 0.00 C ATOM 361 CG LYS A 22 7.758 11.755 -4.752 1.00 0.00 C ATOM 362 CD LYS A 22 7.544 11.963 -6.244 1.00 0.00 C ATOM 363 CE LYS A 22 8.723 12.678 -6.882 1.00 0.00 C ATOM 364 NZ LYS A 22 8.474 12.990 -8.317 1.00 0.00 N ATOM 0 H LYS A 22 5.480 12.819 -1.876 1.00 0.00 H new ATOM 0 HA LYS A 22 8.253 12.511 -2.339 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.919 12.012 -3.693 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.469 13.447 -4.536 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.786 12.007 -4.492 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.615 10.703 -4.506 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.396 10.998 -6.729 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.635 12.543 -6.405 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.924 13.602 -6.339 1.00 0.00 H new ATOM 0 HE3 LYS A 22 9.614 12.057 -6.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 9.302 13.477 -8.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.307 12.107 -8.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.639 13.604 -8.399 1.00 0.00 H new ATOM 378 N ASN A 23 7.060 15.541 -2.606 1.00 0.00 N ATOM 379 CA ASN A 23 7.433 16.942 -2.774 1.00 0.00 C ATOM 380 C ASN A 23 7.954 17.537 -1.469 1.00 0.00 C ATOM 381 O ASN A 23 8.882 18.348 -1.473 1.00 0.00 O ATOM 382 CB ASN A 23 6.235 17.754 -3.271 1.00 0.00 C ATOM 383 CG ASN A 23 6.590 18.662 -4.433 1.00 0.00 C ATOM 384 OD1 ASN A 23 7.064 19.782 -4.238 1.00 0.00 O ATOM 385 ND2 ASN A 23 6.363 18.183 -5.650 1.00 0.00 N ATOM 0 H ASN A 23 6.098 15.394 -2.302 1.00 0.00 H new ATOM 0 HA ASN A 23 8.232 16.987 -3.514 1.00 0.00 H new ATOM 0 HB2 ASN A 23 5.440 17.073 -3.576 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.843 18.355 -2.451 1.00 0.00 H new ATOM 0 HD21 ASN A 23 6.583 18.749 -6.470 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.969 17.249 -5.765 1.00 0.00 H new ATOM 392 N SER A 24 7.352 17.135 -0.355 1.00 0.00 N ATOM 393 CA SER A 24 7.755 17.636 0.954 1.00 0.00 C ATOM 394 C SER A 24 8.868 16.780 1.553 1.00 0.00 C ATOM 395 O SER A 24 9.539 16.030 0.843 1.00 0.00 O ATOM 396 CB SER A 24 6.555 17.674 1.901 1.00 0.00 C ATOM 397 OG SER A 24 6.584 18.834 2.714 1.00 0.00 O ATOM 0 H SER A 24 6.584 16.464 -0.332 1.00 0.00 H new ATOM 0 HA SER A 24 8.137 18.648 0.823 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.631 17.654 1.323 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.556 16.784 2.531 1.00 0.00 H new ATOM 0 HG SER A 24 5.806 18.836 3.309 1.00 0.00 H new ATOM 403 N VAL A 25 9.059 16.900 2.864 1.00 0.00 N ATOM 404 CA VAL A 25 10.090 16.144 3.565 1.00 0.00 C ATOM 405 C VAL A 25 9.857 14.640 3.439 1.00 0.00 C ATOM 406 O VAL A 25 8.786 14.201 3.022 1.00 0.00 O ATOM 407 CB VAL A 25 10.146 16.533 5.057 1.00 0.00 C ATOM 408 CG1 VAL A 25 9.027 15.856 5.838 1.00 0.00 C ATOM 409 CG2 VAL A 25 11.504 16.192 5.650 1.00 0.00 C ATOM 0 H VAL A 25 8.510 17.516 3.463 1.00 0.00 H new ATOM 0 HA VAL A 25 11.043 16.392 3.098 1.00 0.00 H new ATOM 0 HB VAL A 25 10.003 17.611 5.132 1.00 0.00 H new ATOM 0 HG11 VAL A 25 9.088 16.146 6.887 1.00 0.00 H new ATOM 0 HG12 VAL A 25 8.063 16.163 5.432 1.00 0.00 H new ATOM 0 HG13 VAL A 25 9.128 14.774 5.754 1.00 0.00 H new ATOM 0 HG21 VAL A 25 11.523 16.474 6.703 1.00 0.00 H new ATOM 0 HG22 VAL A 25 11.682 15.121 5.558 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.282 16.736 5.115 1.00 0.00 H new ATOM 419 N GLY A 26 10.869 13.857 3.804 1.00 0.00 N ATOM 420 CA GLY A 26 10.759 12.412 3.725 1.00 0.00 C ATOM 421 C GLY A 26 9.894 11.831 4.827 1.00 0.00 C ATOM 422 O GLY A 26 8.673 11.996 4.818 1.00 0.00 O ATOM 0 H GLY A 26 11.764 14.199 4.153 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.341 12.136 2.757 1.00 0.00 H new ATOM 0 HA3 GLY A 26 11.755 11.972 3.780 1.00 0.00 H new ATOM 426 N ARG A 27 10.530 11.147 5.775 1.00 0.00 N ATOM 427 CA ARG A 27 9.819 10.533 6.893 1.00 0.00 C ATOM 428 C ARG A 27 8.799 9.513 6.400 1.00 0.00 C ATOM 429 O ARG A 27 7.592 9.696 6.557 1.00 0.00 O ATOM 430 CB ARG A 27 9.125 11.602 7.734 1.00 0.00 C ATOM 431 CG ARG A 27 9.606 11.651 9.175 1.00 0.00 C ATOM 432 CD ARG A 27 9.122 12.906 9.882 1.00 0.00 C ATOM 433 NE ARG A 27 7.715 12.813 10.261 1.00 0.00 N ATOM 434 CZ ARG A 27 6.860 13.827 10.176 1.00 0.00 C ATOM 435 NH1 ARG A 27 7.263 15.002 9.709 1.00 0.00 N ATOM 436 NH2 ARG A 27 5.598 13.668 10.553 1.00 0.00 N ATOM 0 H ARG A 27 11.540 11.004 5.791 1.00 0.00 H new ATOM 0 HA ARG A 27 10.551 10.014 7.512 1.00 0.00 H new ATOM 0 HB2 ARG A 27 9.286 12.576 7.273 1.00 0.00 H new ATOM 0 HB3 ARG A 27 8.051 11.419 7.725 1.00 0.00 H new ATOM 0 HG2 ARG A 27 9.248 10.771 9.709 1.00 0.00 H new ATOM 0 HG3 ARG A 27 10.695 11.617 9.197 1.00 0.00 H new ATOM 0 HD2 ARG A 27 9.727 13.076 10.773 1.00 0.00 H new ATOM 0 HD3 ARG A 27 9.265 13.768 9.230 1.00 0.00 H new ATOM 0 HE ARG A 27 7.369 11.920 10.611 1.00 0.00 H new ATOM 0 HH11 ARG A 27 8.231 15.129 9.414 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.605 15.778 9.645 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.282 12.766 10.909 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.944 14.448 10.487 1.00 0.00 H new ATOM 450 N TRP A 28 9.301 8.438 5.806 1.00 0.00 N ATOM 451 CA TRP A 28 8.446 7.374 5.287 1.00 0.00 C ATOM 452 C TRP A 28 7.558 6.798 6.393 1.00 0.00 C ATOM 453 O TRP A 28 7.778 7.055 7.577 1.00 0.00 O ATOM 454 CB TRP A 28 9.298 6.248 4.695 1.00 0.00 C ATOM 455 CG TRP A 28 10.037 6.628 3.448 1.00 0.00 C ATOM 456 CD1 TRP A 28 11.212 7.318 3.369 1.00 0.00 C ATOM 457 CD2 TRP A 28 9.653 6.329 2.102 1.00 0.00 C ATOM 458 NE1 TRP A 28 11.583 7.467 2.054 1.00 0.00 N ATOM 459 CE2 TRP A 28 10.642 6.868 1.257 1.00 0.00 C ATOM 460 CE3 TRP A 28 8.571 5.655 1.529 1.00 0.00 C ATOM 461 CZ2 TRP A 28 10.578 6.755 -0.129 1.00 0.00 C ATOM 462 CZ3 TRP A 28 8.509 5.545 0.153 1.00 0.00 C ATOM 463 CH2 TRP A 28 9.506 6.092 -0.663 1.00 0.00 C ATOM 0 H TRP A 28 10.299 8.278 5.671 1.00 0.00 H new ATOM 0 HA TRP A 28 7.814 7.805 4.510 1.00 0.00 H new ATOM 0 HB2 TRP A 28 10.018 5.920 5.445 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.654 5.396 4.477 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.769 7.692 4.216 1.00 0.00 H new ATOM 0 HE1 TRP A 28 12.422 7.945 1.725 1.00 0.00 H new ATOM 0 HE3 TRP A 28 7.798 5.228 2.150 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 11.347 7.175 -0.760 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 7.677 5.028 -0.301 1.00 0.00 H new ATOM 0 HH2 TRP A 28 9.428 5.989 -1.735 1.00 0.00 H new ATOM 474 N LYS A 29 6.574 5.995 5.997 1.00 0.00 N ATOM 475 CA LYS A 29 5.667 5.347 6.945 1.00 0.00 C ATOM 476 C LYS A 29 5.444 3.908 6.510 1.00 0.00 C ATOM 477 O LYS A 29 5.231 3.651 5.332 1.00 0.00 O ATOM 478 CB LYS A 29 4.325 6.084 7.023 1.00 0.00 C ATOM 479 CG LYS A 29 4.388 7.531 6.557 1.00 0.00 C ATOM 480 CD LYS A 29 3.769 8.474 7.575 1.00 0.00 C ATOM 481 CE LYS A 29 4.747 8.810 8.688 1.00 0.00 C ATOM 482 NZ LYS A 29 4.109 9.614 9.767 1.00 0.00 N ATOM 0 H LYS A 29 6.382 5.775 5.020 1.00 0.00 H new ATOM 0 HA LYS A 29 6.119 5.373 7.937 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.592 5.549 6.418 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.967 6.059 8.052 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.426 7.813 6.383 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.867 7.630 5.605 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.452 9.391 7.078 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.875 8.017 8.000 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.146 7.888 9.111 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.591 9.363 8.275 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.810 9.822 10.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 3.751 10.506 9.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.320 9.077 10.180 1.00 0.00 H new ATOM 496 N GLU A 30 5.514 2.965 7.442 1.00 0.00 N ATOM 497 CA GLU A 30 5.344 1.560 7.086 1.00 0.00 C ATOM 498 C GLU A 30 4.154 0.917 7.787 1.00 0.00 C ATOM 499 O GLU A 30 3.933 1.108 8.983 1.00 0.00 O ATOM 500 CB GLU A 30 6.618 0.778 7.412 1.00 0.00 C ATOM 501 CG GLU A 30 7.766 1.060 6.457 1.00 0.00 C ATOM 502 CD GLU A 30 9.119 1.005 7.139 1.00 0.00 C ATOM 503 OE1 GLU A 30 9.573 2.052 7.645 1.00 0.00 O ATOM 504 OE2 GLU A 30 9.725 -0.087 7.166 1.00 0.00 O ATOM 0 H GLU A 30 5.684 3.141 8.432 1.00 0.00 H new ATOM 0 HA GLU A 30 5.148 1.525 6.014 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.933 1.020 8.427 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.394 -0.289 7.393 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.744 0.335 5.644 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.628 2.045 6.010 1.00 0.00 H new ATOM 511 N ALA A 31 3.404 0.137 7.014 1.00 0.00 N ATOM 512 CA ALA A 31 2.236 -0.576 7.512 1.00 0.00 C ATOM 513 C ALA A 31 2.217 -1.987 6.934 1.00 0.00 C ATOM 514 O ALA A 31 2.192 -2.164 5.716 1.00 0.00 O ATOM 515 CB ALA A 31 0.964 0.176 7.147 1.00 0.00 C ATOM 0 H ALA A 31 3.591 -0.018 6.023 1.00 0.00 H new ATOM 0 HA ALA A 31 2.288 -0.642 8.599 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.098 -0.368 7.525 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.990 1.171 7.591 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.892 0.264 6.063 1.00 0.00 H new ATOM 521 N THR A 32 2.260 -2.992 7.804 1.00 0.00 N ATOM 522 CA THR A 32 2.282 -4.380 7.354 1.00 0.00 C ATOM 523 C THR A 32 0.888 -4.934 7.095 1.00 0.00 C ATOM 524 O THR A 32 -0.010 -4.820 7.930 1.00 0.00 O ATOM 525 CB THR A 32 2.994 -5.297 8.367 1.00 0.00 C ATOM 526 OG1 THR A 32 4.322 -4.817 8.614 1.00 0.00 O ATOM 527 CG2 THR A 32 3.055 -6.730 7.848 1.00 0.00 C ATOM 0 H THR A 32 2.280 -2.873 8.817 1.00 0.00 H new ATOM 0 HA THR A 32 2.835 -4.371 6.415 1.00 0.00 H new ATOM 0 HB THR A 32 2.426 -5.286 9.297 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.767 -5.404 9.260 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.562 -7.360 8.579 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.043 -7.102 7.687 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.604 -6.753 6.907 1.00 0.00 H new ATOM 535 N ILE A 33 0.734 -5.564 5.935 1.00 0.00 N ATOM 536 CA ILE A 33 -0.527 -6.179 5.547 1.00 0.00 C ATOM 537 C ILE A 33 -0.270 -7.590 5.021 1.00 0.00 C ATOM 538 O ILE A 33 0.269 -7.761 3.929 1.00 0.00 O ATOM 539 CB ILE A 33 -1.265 -5.366 4.462 1.00 0.00 C ATOM 540 CG1 ILE A 33 -0.841 -3.895 4.497 1.00 0.00 C ATOM 541 CG2 ILE A 33 -2.770 -5.489 4.648 1.00 0.00 C ATOM 542 CD1 ILE A 33 -0.167 -3.433 3.223 1.00 0.00 C ATOM 0 H ILE A 33 1.476 -5.662 5.242 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.159 -6.208 6.434 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.996 -5.772 3.487 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.719 -3.276 4.680 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.162 -3.740 5.335 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.280 -4.912 3.877 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.062 -6.536 4.570 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.048 -5.107 5.631 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.107 -2.382 3.317 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.730 -4.028 3.050 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.852 -3.556 2.384 1.00 0.00 H new ATOM 554 N PRO A 34 -0.633 -8.624 5.800 1.00 0.00 N ATOM 555 CA PRO A 34 -0.420 -10.023 5.410 1.00 0.00 C ATOM 556 C PRO A 34 -1.177 -10.400 4.137 1.00 0.00 C ATOM 557 O PRO A 34 -2.276 -10.949 4.197 1.00 0.00 O ATOM 558 CB PRO A 34 -0.953 -10.819 6.607 1.00 0.00 C ATOM 559 CG PRO A 34 -0.965 -9.854 7.742 1.00 0.00 C ATOM 560 CD PRO A 34 -1.257 -8.516 7.130 1.00 0.00 C ATOM 0 HA PRO A 34 0.628 -10.221 5.184 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.952 -11.207 6.409 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.316 -11.676 6.825 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -1.724 -10.123 8.477 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.006 -9.847 8.261 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.328 -8.328 7.060 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.828 -7.702 7.714 1.00 0.00 H new ATOM 568 N GLY A 35 -0.574 -10.105 2.986 1.00 0.00 N ATOM 569 CA GLY A 35 -1.198 -10.423 1.715 1.00 0.00 C ATOM 570 C GLY A 35 -2.535 -9.732 1.528 1.00 0.00 C ATOM 571 O GLY A 35 -3.376 -10.198 0.759 1.00 0.00 O ATOM 0 H GLY A 35 0.336 -9.651 2.913 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.529 -10.135 0.905 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.338 -11.502 1.644 1.00 0.00 H new ATOM 575 N HIS A 36 -2.729 -8.621 2.234 1.00 0.00 N ATOM 576 CA HIS A 36 -3.972 -7.856 2.148 1.00 0.00 C ATOM 577 C HIS A 36 -5.168 -8.697 2.586 1.00 0.00 C ATOM 578 O HIS A 36 -5.620 -9.584 1.861 1.00 0.00 O ATOM 579 CB HIS A 36 -4.187 -7.341 0.721 1.00 0.00 C ATOM 580 CG HIS A 36 -3.430 -6.082 0.416 1.00 0.00 C ATOM 581 ND1 HIS A 36 -3.779 -5.278 -0.643 1.00 0.00 N ATOM 582 CD2 HIS A 36 -2.359 -5.541 1.048 1.00 0.00 C ATOM 583 CE1 HIS A 36 -2.922 -4.273 -0.631 1.00 0.00 C ATOM 584 NE2 HIS A 36 -2.042 -4.389 0.376 1.00 0.00 N ATOM 0 H HIS A 36 -2.039 -8.229 2.875 1.00 0.00 H new ATOM 0 HA HIS A 36 -3.887 -7.005 2.823 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.887 -8.115 0.015 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.251 -7.162 0.565 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -4.543 -5.427 -1.302 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -1.853 -5.941 1.914 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -2.928 -3.460 -1.342 1.00 0.00 H new ATOM 592 N LEU A 37 -5.681 -8.405 3.778 1.00 0.00 N ATOM 593 CA LEU A 37 -6.828 -9.129 4.317 1.00 0.00 C ATOM 594 C LEU A 37 -8.121 -8.662 3.654 1.00 0.00 C ATOM 595 O LEU A 37 -9.068 -9.434 3.502 1.00 0.00 O ATOM 596 CB LEU A 37 -6.933 -8.968 5.847 1.00 0.00 C ATOM 597 CG LEU A 37 -6.223 -7.755 6.479 1.00 0.00 C ATOM 598 CD1 LEU A 37 -4.714 -7.950 6.487 1.00 0.00 C ATOM 599 CD2 LEU A 37 -6.598 -6.462 5.766 1.00 0.00 C ATOM 0 H LEU A 37 -5.320 -7.672 4.389 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.677 -10.186 4.097 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.990 -8.915 6.109 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.535 -9.871 6.310 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.560 -7.676 7.513 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.237 -7.080 6.938 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.465 -8.840 7.064 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.357 -8.070 5.464 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -6.081 -5.625 6.235 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.307 -6.527 4.718 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -7.675 -6.308 5.834 1.00 0.00 H new ATOM 611 N ASN A 38 -8.145 -7.393 3.258 1.00 0.00 N ATOM 612 CA ASN A 38 -9.308 -6.800 2.604 1.00 0.00 C ATOM 613 C ASN A 38 -9.013 -5.350 2.226 1.00 0.00 C ATOM 614 O ASN A 38 -7.870 -5.004 1.929 1.00 0.00 O ATOM 615 CB ASN A 38 -10.536 -6.875 3.520 1.00 0.00 C ATOM 616 CG ASN A 38 -10.434 -5.943 4.713 1.00 0.00 C ATOM 617 OD1 ASN A 38 -9.592 -6.128 5.589 1.00 0.00 O ATOM 618 ND2 ASN A 38 -11.298 -4.935 4.753 1.00 0.00 N ATOM 0 H ASN A 38 -7.363 -6.749 3.380 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.523 -7.363 1.696 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -11.428 -6.627 2.946 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -10.659 -7.899 3.873 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -11.279 -4.277 5.532 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -11.981 -4.818 4.004 1.00 0.00 H new ATOM 625 N SER A 39 -10.038 -4.503 2.244 1.00 0.00 N ATOM 626 CA SER A 39 -9.861 -3.097 1.908 1.00 0.00 C ATOM 627 C SER A 39 -9.218 -2.352 3.073 1.00 0.00 C ATOM 628 O SER A 39 -9.865 -2.086 4.087 1.00 0.00 O ATOM 629 CB SER A 39 -11.204 -2.457 1.551 1.00 0.00 C ATOM 630 OG SER A 39 -11.321 -2.268 0.152 1.00 0.00 O ATOM 0 H SER A 39 -10.994 -4.765 2.486 1.00 0.00 H new ATOM 0 HA SER A 39 -9.203 -3.030 1.041 1.00 0.00 H new ATOM 0 HB2 SER A 39 -12.018 -3.090 1.905 1.00 0.00 H new ATOM 0 HB3 SER A 39 -11.301 -1.498 2.060 1.00 0.00 H new ATOM 0 HG SER A 39 -12.188 -1.859 -0.051 1.00 0.00 H new ATOM 636 N TYR A 40 -7.938 -2.028 2.922 1.00 0.00 N ATOM 637 CA TYR A 40 -7.198 -1.322 3.961 1.00 0.00 C ATOM 638 C TYR A 40 -7.025 0.151 3.608 1.00 0.00 C ATOM 639 O TYR A 40 -6.344 0.491 2.641 1.00 0.00 O ATOM 640 CB TYR A 40 -5.828 -1.969 4.168 1.00 0.00 C ATOM 641 CG TYR A 40 -5.140 -1.538 5.444 1.00 0.00 C ATOM 642 CD1 TYR A 40 -5.372 -2.205 6.640 1.00 0.00 C ATOM 643 CD2 TYR A 40 -4.258 -0.464 5.451 1.00 0.00 C ATOM 644 CE1 TYR A 40 -4.745 -1.812 7.808 1.00 0.00 C ATOM 645 CE2 TYR A 40 -3.628 -0.066 6.615 1.00 0.00 C ATOM 646 CZ TYR A 40 -3.875 -0.743 7.790 1.00 0.00 C ATOM 647 OH TYR A 40 -3.249 -0.349 8.950 1.00 0.00 O ATOM 0 H TYR A 40 -7.391 -2.244 2.089 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.772 -1.389 4.885 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.945 -3.053 4.177 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -5.188 -1.724 3.320 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -6.053 -3.043 6.658 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.062 0.068 4.532 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.936 -2.340 8.730 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.946 0.771 6.604 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.668 0.418 8.764 1.00 0.00 H new ATOM 657 N THR A 41 -7.639 1.019 4.405 1.00 0.00 N ATOM 658 CA THR A 41 -7.546 2.455 4.183 1.00 0.00 C ATOM 659 C THR A 41 -6.545 3.087 5.144 1.00 0.00 C ATOM 660 O THR A 41 -6.392 2.633 6.280 1.00 0.00 O ATOM 661 CB THR A 41 -8.917 3.144 4.352 1.00 0.00 C ATOM 662 OG1 THR A 41 -8.922 4.399 3.660 1.00 0.00 O ATOM 663 CG2 THR A 41 -9.244 3.370 5.824 1.00 0.00 C ATOM 0 H THR A 41 -8.206 0.752 5.210 1.00 0.00 H new ATOM 0 HA THR A 41 -7.206 2.599 3.157 1.00 0.00 H new ATOM 0 HB THR A 41 -9.678 2.488 3.928 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.795 4.830 3.770 1.00 0.00 H new ATOM 0 HG21 THR A 41 -10.215 3.857 5.910 1.00 0.00 H new ATOM 0 HG22 THR A 41 -9.271 2.411 6.342 1.00 0.00 H new ATOM 0 HG23 THR A 41 -8.479 4.004 6.273 1.00 0.00 H new ATOM 671 N ILE A 42 -5.870 4.137 4.692 1.00 0.00 N ATOM 672 CA ILE A 42 -4.897 4.822 5.530 1.00 0.00 C ATOM 673 C ILE A 42 -5.430 6.177 5.979 1.00 0.00 C ATOM 674 O ILE A 42 -5.633 7.074 5.162 1.00 0.00 O ATOM 675 CB ILE A 42 -3.558 5.024 4.792 1.00 0.00 C ATOM 676 CG1 ILE A 42 -3.041 3.687 4.256 1.00 0.00 C ATOM 677 CG2 ILE A 42 -2.533 5.661 5.719 1.00 0.00 C ATOM 678 CD1 ILE A 42 -1.964 3.832 3.202 1.00 0.00 C ATOM 0 H ILE A 42 -5.978 4.529 3.757 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.725 4.191 6.402 1.00 0.00 H new ATOM 0 HB ILE A 42 -3.722 5.694 3.948 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.648 3.100 5.086 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.876 3.126 3.836 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.593 5.797 5.184 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.901 6.629 6.058 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.369 5.013 6.580 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.646 2.844 2.869 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.358 4.392 2.354 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.112 4.365 3.624 1.00 0.00 H new ATOM 690 N LYS A 43 -5.641 6.308 7.288 1.00 0.00 N ATOM 691 CA LYS A 43 -6.145 7.544 7.885 1.00 0.00 C ATOM 692 C LYS A 43 -7.142 8.251 6.962 1.00 0.00 C ATOM 693 O LYS A 43 -8.091 7.632 6.479 1.00 0.00 O ATOM 694 CB LYS A 43 -4.973 8.465 8.233 1.00 0.00 C ATOM 695 CG LYS A 43 -3.811 7.743 8.899 1.00 0.00 C ATOM 696 CD LYS A 43 -4.215 7.147 10.242 1.00 0.00 C ATOM 697 CE LYS A 43 -4.519 5.661 10.126 1.00 0.00 C ATOM 698 NZ LYS A 43 -5.073 5.105 11.392 1.00 0.00 N ATOM 0 H LYS A 43 -5.468 5.563 7.963 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.681 7.290 8.799 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -4.617 8.947 7.322 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -5.327 9.256 8.895 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.450 6.951 8.243 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -2.984 8.439 9.043 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.413 7.300 10.965 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.092 7.670 10.624 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -5.231 5.499 9.317 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.608 5.124 9.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -5.266 4.090 11.270 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -4.384 5.237 12.160 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -5.956 5.599 11.631 1.00 0.00 H new ATOM 712 N GLY A 44 -6.928 9.544 6.721 1.00 0.00 N ATOM 713 CA GLY A 44 -7.822 10.294 5.860 1.00 0.00 C ATOM 714 C GLY A 44 -7.086 11.067 4.783 1.00 0.00 C ATOM 715 O GLY A 44 -7.506 11.080 3.624 1.00 0.00 O ATOM 0 H GLY A 44 -6.152 10.082 7.107 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -8.528 9.609 5.391 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.405 10.988 6.465 1.00 0.00 H new ATOM 719 N LEU A 45 -5.986 11.715 5.165 1.00 0.00 N ATOM 720 CA LEU A 45 -5.183 12.502 4.228 1.00 0.00 C ATOM 721 C LEU A 45 -6.046 13.552 3.522 1.00 0.00 C ATOM 722 O LEU A 45 -7.230 13.695 3.827 1.00 0.00 O ATOM 723 CB LEU A 45 -4.504 11.588 3.199 1.00 0.00 C ATOM 724 CG LEU A 45 -4.322 10.130 3.629 1.00 0.00 C ATOM 725 CD1 LEU A 45 -3.952 9.265 2.436 1.00 0.00 C ATOM 726 CD2 LEU A 45 -3.263 10.022 4.715 1.00 0.00 C ATOM 0 H LEU A 45 -5.629 11.711 6.120 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.409 13.019 4.796 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.090 11.607 2.280 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.525 12.003 2.961 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.268 9.771 4.034 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.827 8.232 2.761 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.744 9.317 1.689 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.019 9.624 2.001 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.147 8.978 5.008 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.313 10.400 4.336 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.568 10.610 5.580 1.00 0.00 H new ATOM 738 N LYS A 46 -5.452 14.296 2.588 1.00 0.00 N ATOM 739 CA LYS A 46 -6.188 15.329 1.867 1.00 0.00 C ATOM 740 C LYS A 46 -5.494 15.723 0.561 1.00 0.00 C ATOM 741 O LYS A 46 -4.268 15.789 0.493 1.00 0.00 O ATOM 742 CB LYS A 46 -6.382 16.554 2.770 1.00 0.00 C ATOM 743 CG LYS A 46 -5.502 17.747 2.424 1.00 0.00 C ATOM 744 CD LYS A 46 -4.589 18.123 3.578 1.00 0.00 C ATOM 745 CE LYS A 46 -4.304 19.616 3.599 1.00 0.00 C ATOM 746 NZ LYS A 46 -2.844 19.902 3.668 1.00 0.00 N ATOM 0 H LYS A 46 -4.473 14.203 2.317 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.162 14.921 1.598 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.426 16.863 2.720 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -6.185 16.262 3.802 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.901 17.513 1.545 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.130 18.599 2.164 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -5.050 17.826 4.520 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.651 17.574 3.495 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -4.723 20.078 2.705 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -4.803 20.069 4.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.692 20.931 3.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.449 19.483 4.534 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.370 19.492 2.838 1.00 0.00 H new ATOM 760 N PRO A 47 -6.277 16.002 -0.499 1.00 0.00 N ATOM 761 CA PRO A 47 -5.730 16.400 -1.802 1.00 0.00 C ATOM 762 C PRO A 47 -4.850 17.642 -1.701 1.00 0.00 C ATOM 763 O PRO A 47 -5.137 18.555 -0.927 1.00 0.00 O ATOM 764 CB PRO A 47 -6.976 16.696 -2.646 1.00 0.00 C ATOM 765 CG PRO A 47 -8.082 15.958 -1.974 1.00 0.00 C ATOM 766 CD PRO A 47 -7.751 15.960 -0.510 1.00 0.00 C ATOM 0 HA PRO A 47 -5.091 15.626 -2.226 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.182 17.766 -2.684 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.845 16.360 -3.674 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.042 16.441 -2.158 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -8.160 14.940 -2.355 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -8.182 16.822 -0.001 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -8.132 15.070 -0.009 1.00 0.00 H new ATOM 774 N GLY A 48 -3.778 17.669 -2.486 1.00 0.00 N ATOM 775 CA GLY A 48 -2.872 18.804 -2.467 1.00 0.00 C ATOM 776 C GLY A 48 -1.437 18.396 -2.188 1.00 0.00 C ATOM 777 O GLY A 48 -0.499 19.046 -2.647 1.00 0.00 O ATOM 0 H GLY A 48 -3.520 16.926 -3.135 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.920 19.320 -3.426 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.199 19.514 -1.707 1.00 0.00 H new ATOM 781 N VAL A 49 -1.272 17.315 -1.433 1.00 0.00 N ATOM 782 CA VAL A 49 0.055 16.816 -1.088 1.00 0.00 C ATOM 783 C VAL A 49 0.481 15.691 -2.024 1.00 0.00 C ATOM 784 O VAL A 49 -0.294 14.774 -2.296 1.00 0.00 O ATOM 785 CB VAL A 49 0.097 16.269 0.350 1.00 0.00 C ATOM 786 CG1 VAL A 49 1.530 16.194 0.867 1.00 0.00 C ATOM 787 CG2 VAL A 49 -0.791 17.081 1.282 1.00 0.00 C ATOM 0 H VAL A 49 -2.041 16.767 -1.048 1.00 0.00 H new ATOM 0 HA VAL A 49 0.734 17.663 -1.182 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.300 15.254 0.329 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.530 15.804 1.885 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.114 15.534 0.226 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.972 17.190 0.860 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.737 16.667 2.289 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.452 18.117 1.297 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.821 17.042 0.928 1.00 0.00 H new ATOM 797 N VAL A 50 1.724 15.745 -2.490 1.00 0.00 N ATOM 798 CA VAL A 50 2.249 14.705 -3.363 1.00 0.00 C ATOM 799 C VAL A 50 2.898 13.612 -2.529 1.00 0.00 C ATOM 800 O VAL A 50 3.849 13.867 -1.792 1.00 0.00 O ATOM 801 CB VAL A 50 3.278 15.254 -4.368 1.00 0.00 C ATOM 802 CG1 VAL A 50 3.854 14.124 -5.215 1.00 0.00 C ATOM 803 CG2 VAL A 50 2.644 16.325 -5.244 1.00 0.00 C ATOM 0 H VAL A 50 2.383 16.494 -2.278 1.00 0.00 H new ATOM 0 HA VAL A 50 1.409 14.303 -3.929 1.00 0.00 H new ATOM 0 HB VAL A 50 4.098 15.711 -3.814 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.579 14.531 -5.920 1.00 0.00 H new ATOM 0 HG12 VAL A 50 4.345 13.398 -4.567 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.050 13.635 -5.764 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.384 16.703 -5.949 1.00 0.00 H new ATOM 0 HG22 VAL A 50 1.805 15.897 -5.793 1.00 0.00 H new ATOM 0 HG23 VAL A 50 2.288 17.143 -4.618 1.00 0.00 H new ATOM 813 N TYR A 51 2.367 12.402 -2.630 1.00 0.00 N ATOM 814 CA TYR A 51 2.888 11.279 -1.864 1.00 0.00 C ATOM 815 C TYR A 51 3.660 10.308 -2.744 1.00 0.00 C ATOM 816 O TYR A 51 3.540 10.320 -3.969 1.00 0.00 O ATOM 817 CB TYR A 51 1.741 10.514 -1.188 1.00 0.00 C ATOM 818 CG TYR A 51 1.662 10.617 0.328 1.00 0.00 C ATOM 819 CD1 TYR A 51 2.604 11.316 1.083 1.00 0.00 C ATOM 820 CD2 TYR A 51 0.607 10.013 1.005 1.00 0.00 C ATOM 821 CE1 TYR A 51 2.493 11.405 2.456 1.00 0.00 C ATOM 822 CE2 TYR A 51 0.494 10.099 2.378 1.00 0.00 C ATOM 823 CZ TYR A 51 1.439 10.796 3.099 1.00 0.00 C ATOM 824 OH TYR A 51 1.327 10.884 4.467 1.00 0.00 O ATOM 0 H TYR A 51 1.577 12.173 -3.234 1.00 0.00 H new ATOM 0 HA TYR A 51 3.562 11.691 -1.114 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.799 10.872 -1.605 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.828 9.461 -1.455 1.00 0.00 H new ATOM 0 HD1 TYR A 51 3.434 11.795 0.585 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.138 9.466 0.445 1.00 0.00 H new ATOM 0 HE1 TYR A 51 3.231 11.951 3.024 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -0.332 9.622 2.885 1.00 0.00 H new ATOM 0 HH TYR A 51 0.527 10.400 4.762 1.00 0.00 H new ATOM 834 N GLU A 52 4.418 9.442 -2.089 1.00 0.00 N ATOM 835 CA GLU A 52 5.190 8.416 -2.768 1.00 0.00 C ATOM 836 C GLU A 52 4.779 7.059 -2.217 1.00 0.00 C ATOM 837 O GLU A 52 4.735 6.870 -1.005 1.00 0.00 O ATOM 838 CB GLU A 52 6.688 8.644 -2.561 1.00 0.00 C ATOM 839 CG GLU A 52 7.568 7.715 -3.383 1.00 0.00 C ATOM 840 CD GLU A 52 7.609 8.096 -4.849 1.00 0.00 C ATOM 841 OE1 GLU A 52 6.619 7.825 -5.561 1.00 0.00 O ATOM 842 OE2 GLU A 52 8.632 8.664 -5.286 1.00 0.00 O ATOM 0 H GLU A 52 4.514 9.432 -1.074 1.00 0.00 H new ATOM 0 HA GLU A 52 4.993 8.457 -3.839 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.928 9.676 -2.815 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.924 8.513 -1.505 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.581 7.729 -2.980 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.200 6.693 -3.287 1.00 0.00 H new ATOM 849 N GLY A 53 4.455 6.124 -3.097 1.00 0.00 N ATOM 850 CA GLY A 53 4.027 4.814 -2.643 1.00 0.00 C ATOM 851 C GLY A 53 4.975 3.708 -3.044 1.00 0.00 C ATOM 852 O GLY A 53 5.375 3.612 -4.203 1.00 0.00 O ATOM 0 H GLY A 53 4.480 6.245 -4.109 1.00 0.00 H new ATOM 0 HA2 GLY A 53 3.931 4.826 -1.557 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.038 4.601 -3.048 1.00 0.00 H new ATOM 856 N GLN A 54 5.322 2.859 -2.084 1.00 0.00 N ATOM 857 CA GLN A 54 6.208 1.742 -2.345 1.00 0.00 C ATOM 858 C GLN A 54 5.645 0.486 -1.707 1.00 0.00 C ATOM 859 O GLN A 54 5.584 0.378 -0.481 1.00 0.00 O ATOM 860 CB GLN A 54 7.609 2.031 -1.802 1.00 0.00 C ATOM 861 CG GLN A 54 8.424 2.966 -2.683 1.00 0.00 C ATOM 862 CD GLN A 54 9.281 2.222 -3.690 1.00 0.00 C ATOM 863 OE1 GLN A 54 9.557 1.032 -3.529 1.00 0.00 O ATOM 864 NE2 GLN A 54 9.713 2.923 -4.733 1.00 0.00 N ATOM 0 H GLN A 54 5.001 2.927 -1.118 1.00 0.00 H new ATOM 0 HA GLN A 54 6.283 1.594 -3.422 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.521 2.468 -0.807 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.147 1.090 -1.690 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.750 3.639 -3.213 1.00 0.00 H new ATOM 0 HG3 GLN A 54 9.064 3.585 -2.054 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.460 3.907 -4.826 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.298 2.477 -5.440 1.00 0.00 H new ATOM 873 N LEU A 55 5.234 -0.463 -2.532 1.00 0.00 N ATOM 874 CA LEU A 55 4.680 -1.702 -2.024 1.00 0.00 C ATOM 875 C LEU A 55 5.680 -2.838 -2.197 1.00 0.00 C ATOM 876 O LEU A 55 5.886 -3.338 -3.304 1.00 0.00 O ATOM 877 CB LEU A 55 3.366 -2.031 -2.742 1.00 0.00 C ATOM 878 CG LEU A 55 2.113 -1.392 -2.133 1.00 0.00 C ATOM 879 CD1 LEU A 55 0.942 -1.488 -3.099 1.00 0.00 C ATOM 880 CD2 LEU A 55 1.759 -2.054 -0.809 1.00 0.00 C ATOM 0 H LEU A 55 5.274 -0.398 -3.549 1.00 0.00 H new ATOM 0 HA LEU A 55 4.473 -1.582 -0.961 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.449 -1.712 -3.781 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.236 -3.113 -2.750 1.00 0.00 H new ATOM 0 HG LEU A 55 2.326 -0.339 -1.946 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.061 -1.029 -2.650 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.190 -0.968 -4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 55 0.734 -2.536 -3.316 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.867 -1.585 -0.395 1.00 0.00 H new ATOM 0 HD22 LEU A 55 1.569 -3.115 -0.972 1.00 0.00 H new ATOM 0 HD23 LEU A 55 2.588 -1.937 -0.111 1.00 0.00 H new ATOM 892 N ILE A 56 6.292 -3.244 -1.089 1.00 0.00 N ATOM 893 CA ILE A 56 7.267 -4.326 -1.106 1.00 0.00 C ATOM 894 C ILE A 56 6.800 -5.501 -0.256 1.00 0.00 C ATOM 895 O ILE A 56 6.681 -5.390 0.964 1.00 0.00 O ATOM 896 CB ILE A 56 8.642 -3.848 -0.597 1.00 0.00 C ATOM 897 CG1 ILE A 56 9.151 -2.686 -1.454 1.00 0.00 C ATOM 898 CG2 ILE A 56 9.643 -4.995 -0.606 1.00 0.00 C ATOM 899 CD1 ILE A 56 8.634 -1.334 -1.012 1.00 0.00 C ATOM 0 H ILE A 56 6.129 -2.839 -0.167 1.00 0.00 H new ATOM 0 HA ILE A 56 7.364 -4.650 -2.142 1.00 0.00 H new ATOM 0 HB ILE A 56 8.529 -3.499 0.430 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.241 -2.676 -1.426 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.860 -2.856 -2.491 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.607 -4.639 -0.244 1.00 0.00 H new ATOM 0 HG22 ILE A 56 9.285 -5.795 0.042 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.754 -5.373 -1.622 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.036 -0.559 -1.665 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.545 -1.325 -1.066 1.00 0.00 H new ATOM 0 HD13 ILE A 56 8.947 -1.142 0.014 1.00 0.00 H new ATOM 911 N SER A 57 6.548 -6.628 -0.908 1.00 0.00 N ATOM 912 CA SER A 57 6.105 -7.832 -0.222 1.00 0.00 C ATOM 913 C SER A 57 7.303 -8.667 0.207 1.00 0.00 C ATOM 914 O SER A 57 8.065 -9.151 -0.631 1.00 0.00 O ATOM 915 CB SER A 57 5.200 -8.650 -1.136 1.00 0.00 C ATOM 916 OG SER A 57 4.303 -9.451 -0.388 1.00 0.00 O ATOM 0 H SER A 57 6.644 -6.732 -1.918 1.00 0.00 H new ATOM 0 HA SER A 57 5.544 -7.542 0.667 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.637 -7.981 -1.788 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.808 -9.285 -1.780 1.00 0.00 H new ATOM 0 HG SER A 57 3.494 -8.935 -0.186 1.00 0.00 H new ATOM 922 N ILE A 58 7.469 -8.826 1.512 1.00 0.00 N ATOM 923 CA ILE A 58 8.585 -9.596 2.046 1.00 0.00 C ATOM 924 C ILE A 58 8.144 -10.986 2.494 1.00 0.00 C ATOM 925 O ILE A 58 7.281 -11.130 3.362 1.00 0.00 O ATOM 926 CB ILE A 58 9.256 -8.865 3.227 1.00 0.00 C ATOM 927 CG1 ILE A 58 9.923 -7.577 2.740 1.00 0.00 C ATOM 928 CG2 ILE A 58 10.278 -9.767 3.906 1.00 0.00 C ATOM 929 CD1 ILE A 58 9.707 -6.394 3.660 1.00 0.00 C ATOM 0 H ILE A 58 6.848 -8.434 2.219 1.00 0.00 H new ATOM 0 HA ILE A 58 9.308 -9.702 1.238 1.00 0.00 H new ATOM 0 HB ILE A 58 8.488 -8.608 3.956 1.00 0.00 H new ATOM 0 HG12 ILE A 58 10.994 -7.751 2.632 1.00 0.00 H new ATOM 0 HG13 ILE A 58 9.539 -7.331 1.750 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.740 -9.233 4.736 1.00 0.00 H new ATOM 0 HG22 ILE A 58 9.781 -10.662 4.282 1.00 0.00 H new ATOM 0 HG23 ILE A 58 11.045 -10.053 3.187 1.00 0.00 H new ATOM 0 HD11 ILE A 58 10.209 -5.518 3.250 1.00 0.00 H new ATOM 0 HD12 ILE A 58 8.639 -6.193 3.749 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.117 -6.619 4.645 1.00 0.00 H new ATOM 941 N GLN A 59 8.756 -12.004 1.898 1.00 0.00 N ATOM 942 CA GLN A 59 8.453 -13.389 2.231 1.00 0.00 C ATOM 943 C GLN A 59 9.154 -13.784 3.526 1.00 0.00 C ATOM 944 O GLN A 59 9.793 -12.956 4.172 1.00 0.00 O ATOM 945 CB GLN A 59 8.883 -14.320 1.095 1.00 0.00 C ATOM 946 CG GLN A 59 7.721 -15.007 0.391 1.00 0.00 C ATOM 947 CD GLN A 59 7.072 -16.082 1.240 1.00 0.00 C ATOM 948 OE1 GLN A 59 7.422 -17.259 1.147 1.00 0.00 O ATOM 949 NE2 GLN A 59 6.118 -15.684 2.074 1.00 0.00 N ATOM 0 H GLN A 59 9.469 -11.893 1.177 1.00 0.00 H new ATOM 0 HA GLN A 59 7.376 -13.484 2.369 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.451 -13.746 0.363 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.554 -15.080 1.495 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.973 -14.261 0.123 1.00 0.00 H new ATOM 0 HG3 GLN A 59 8.077 -15.450 -0.539 1.00 0.00 H new ATOM 0 HE21 GLN A 59 5.859 -14.699 2.119 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.645 -16.364 2.669 1.00 0.00 H new ATOM 958 N GLN A 60 9.021 -15.049 3.905 1.00 0.00 N ATOM 959 CA GLN A 60 9.636 -15.545 5.129 1.00 0.00 C ATOM 960 C GLN A 60 11.159 -15.592 5.019 1.00 0.00 C ATOM 961 O GLN A 60 11.862 -15.440 6.019 1.00 0.00 O ATOM 962 CB GLN A 60 9.094 -16.935 5.464 1.00 0.00 C ATOM 963 CG GLN A 60 8.403 -17.003 6.815 1.00 0.00 C ATOM 964 CD GLN A 60 8.068 -18.422 7.227 1.00 0.00 C ATOM 965 OE1 GLN A 60 8.935 -19.296 7.249 1.00 0.00 O ATOM 966 NE2 GLN A 60 6.803 -18.659 7.555 1.00 0.00 N ATOM 0 H GLN A 60 8.494 -15.749 3.383 1.00 0.00 H new ATOM 0 HA GLN A 60 9.381 -14.852 5.931 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.391 -17.239 4.689 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.916 -17.651 5.448 1.00 0.00 H new ATOM 0 HG2 GLN A 60 9.045 -16.551 7.571 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.487 -16.413 6.781 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.118 -17.904 7.522 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.517 -19.596 7.840 1.00 0.00 H new ATOM 975 N TYR A 61 11.669 -15.815 3.810 1.00 0.00 N ATOM 976 CA TYR A 61 13.113 -15.890 3.599 1.00 0.00 C ATOM 977 C TYR A 61 13.667 -14.614 2.970 1.00 0.00 C ATOM 978 O TYR A 61 14.867 -14.517 2.709 1.00 0.00 O ATOM 979 CB TYR A 61 13.467 -17.096 2.726 1.00 0.00 C ATOM 980 CG TYR A 61 12.495 -17.339 1.595 1.00 0.00 C ATOM 981 CD1 TYR A 61 12.644 -16.692 0.376 1.00 0.00 C ATOM 982 CD2 TYR A 61 11.430 -18.218 1.748 1.00 0.00 C ATOM 983 CE1 TYR A 61 11.758 -16.915 -0.661 1.00 0.00 C ATOM 984 CE2 TYR A 61 10.542 -18.446 0.716 1.00 0.00 C ATOM 985 CZ TYR A 61 10.710 -17.791 -0.486 1.00 0.00 C ATOM 986 OH TYR A 61 9.826 -18.015 -1.517 1.00 0.00 O ATOM 0 H TYR A 61 11.109 -15.946 2.967 1.00 0.00 H new ATOM 0 HA TYR A 61 13.574 -16.006 4.580 1.00 0.00 H new ATOM 0 HB2 TYR A 61 14.464 -16.951 2.310 1.00 0.00 H new ATOM 0 HB3 TYR A 61 13.509 -17.986 3.353 1.00 0.00 H new ATOM 0 HD1 TYR A 61 13.465 -16.004 0.236 1.00 0.00 H new ATOM 0 HD2 TYR A 61 11.295 -18.731 2.689 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.887 -16.405 -1.604 1.00 0.00 H new ATOM 0 HE2 TYR A 61 9.720 -19.134 0.849 1.00 0.00 H new ATOM 0 HH TYR A 61 9.757 -17.209 -2.070 1.00 0.00 H new ATOM 996 N GLY A 62 12.800 -13.634 2.732 1.00 0.00 N ATOM 997 CA GLY A 62 13.248 -12.384 2.141 1.00 0.00 C ATOM 998 C GLY A 62 12.232 -11.780 1.190 1.00 0.00 C ATOM 999 O GLY A 62 11.241 -12.418 0.842 1.00 0.00 O ATOM 0 H GLY A 62 11.802 -13.681 2.936 1.00 0.00 H new ATOM 0 HA2 GLY A 62 13.463 -11.670 2.936 1.00 0.00 H new ATOM 0 HA3 GLY A 62 14.182 -12.556 1.605 1.00 0.00 H new ATOM 1003 N HIS A 63 12.484 -10.542 0.774 1.00 0.00 N ATOM 1004 CA HIS A 63 11.588 -9.835 -0.139 1.00 0.00 C ATOM 1005 C HIS A 63 11.738 -10.348 -1.569 1.00 0.00 C ATOM 1006 O HIS A 63 12.778 -10.894 -1.939 1.00 0.00 O ATOM 1007 CB HIS A 63 11.868 -8.332 -0.097 1.00 0.00 C ATOM 1008 CG HIS A 63 13.327 -7.991 -0.117 1.00 0.00 C ATOM 1009 ND1 HIS A 63 13.935 -7.382 0.954 1.00 0.00 N ATOM 1010 CD2 HIS A 63 14.246 -8.189 -1.094 1.00 0.00 C ATOM 1011 CE1 HIS A 63 15.200 -7.224 0.610 1.00 0.00 C ATOM 1012 NE2 HIS A 63 15.437 -7.698 -0.622 1.00 0.00 N ATOM 0 H HIS A 63 13.304 -10.005 1.055 1.00 0.00 H new ATOM 0 HA HIS A 63 10.565 -10.021 0.187 1.00 0.00 H new ATOM 0 HB2 HIS A 63 11.381 -7.857 -0.948 1.00 0.00 H new ATOM 0 HB3 HIS A 63 11.418 -7.912 0.803 1.00 0.00 H new ATOM 0 HD2 HIS A 63 14.074 -8.645 -2.058 1.00 0.00 H new ATOM 0 HE1 HIS A 63 15.950 -6.770 1.241 1.00 0.00 H new ATOM 0 HE2 HIS A 63 16.331 -7.694 -1.114 1.00 0.00 H new ATOM 1020 N GLN A 64 10.689 -10.162 -2.372 1.00 0.00 N ATOM 1021 CA GLN A 64 10.703 -10.600 -3.767 1.00 0.00 C ATOM 1022 C GLN A 64 9.760 -9.756 -4.623 1.00 0.00 C ATOM 1023 O GLN A 64 9.962 -9.620 -5.830 1.00 0.00 O ATOM 1024 CB GLN A 64 10.316 -12.079 -3.881 1.00 0.00 C ATOM 1025 CG GLN A 64 9.879 -12.715 -2.570 1.00 0.00 C ATOM 1026 CD GLN A 64 10.675 -13.962 -2.238 1.00 0.00 C ATOM 1027 OE1 GLN A 64 10.325 -15.066 -2.655 1.00 0.00 O ATOM 1028 NE2 GLN A 64 11.755 -13.791 -1.484 1.00 0.00 N ATOM 0 H GLN A 64 9.821 -9.712 -2.080 1.00 0.00 H new ATOM 0 HA GLN A 64 11.720 -10.470 -4.137 1.00 0.00 H new ATOM 0 HB2 GLN A 64 9.507 -12.176 -4.606 1.00 0.00 H new ATOM 0 HB3 GLN A 64 11.166 -12.635 -4.276 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.991 -11.991 -1.763 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.820 -12.968 -2.627 1.00 0.00 H new ATOM 0 HE21 GLN A 64 12.008 -12.858 -1.160 1.00 0.00 H new ATOM 0 HE22 GLN A 64 12.331 -14.593 -1.229 1.00 0.00 H new ATOM 1037 N GLU A 65 8.727 -9.197 -3.996 1.00 0.00 N ATOM 1038 CA GLU A 65 7.751 -8.375 -4.708 1.00 0.00 C ATOM 1039 C GLU A 65 7.921 -6.897 -4.367 1.00 0.00 C ATOM 1040 O GLU A 65 7.789 -6.501 -3.215 1.00 0.00 O ATOM 1041 CB GLU A 65 6.330 -8.820 -4.359 1.00 0.00 C ATOM 1042 CG GLU A 65 5.467 -9.120 -5.575 1.00 0.00 C ATOM 1043 CD GLU A 65 4.459 -8.022 -5.856 1.00 0.00 C ATOM 1044 OE1 GLU A 65 4.885 -6.883 -6.139 1.00 0.00 O ATOM 1045 OE2 GLU A 65 3.244 -8.303 -5.793 1.00 0.00 O ATOM 0 H GLU A 65 8.544 -9.298 -2.998 1.00 0.00 H new ATOM 0 HA GLU A 65 7.922 -8.506 -5.777 1.00 0.00 H new ATOM 0 HB2 GLU A 65 6.381 -9.710 -3.732 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.850 -8.041 -3.767 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.107 -9.253 -6.447 1.00 0.00 H new ATOM 0 HG3 GLU A 65 4.940 -10.062 -5.420 1.00 0.00 H new ATOM 1052 N VAL A 66 8.215 -6.085 -5.375 1.00 0.00 N ATOM 1053 CA VAL A 66 8.395 -4.652 -5.166 1.00 0.00 C ATOM 1054 C VAL A 66 7.688 -3.839 -6.256 1.00 0.00 C ATOM 1055 O VAL A 66 7.826 -4.132 -7.444 1.00 0.00 O ATOM 1056 CB VAL A 66 9.891 -4.285 -5.115 1.00 0.00 C ATOM 1057 CG1 VAL A 66 10.698 -5.243 -5.974 1.00 0.00 C ATOM 1058 CG2 VAL A 66 10.117 -2.839 -5.540 1.00 0.00 C ATOM 0 H VAL A 66 8.334 -6.391 -6.341 1.00 0.00 H new ATOM 0 HA VAL A 66 7.944 -4.403 -4.206 1.00 0.00 H new ATOM 0 HB VAL A 66 10.233 -4.379 -4.084 1.00 0.00 H new ATOM 0 HG11 VAL A 66 11.753 -4.972 -5.929 1.00 0.00 H new ATOM 0 HG12 VAL A 66 10.569 -6.260 -5.604 1.00 0.00 H new ATOM 0 HG13 VAL A 66 10.353 -5.185 -7.006 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.181 -2.608 -5.494 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.759 -2.699 -6.560 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.572 -2.174 -4.870 1.00 0.00 H new ATOM 1068 N THR A 67 6.937 -2.819 -5.843 1.00 0.00 N ATOM 1069 CA THR A 67 6.216 -1.966 -6.786 1.00 0.00 C ATOM 1070 C THR A 67 6.325 -0.492 -6.396 1.00 0.00 C ATOM 1071 O THR A 67 6.126 -0.134 -5.237 1.00 0.00 O ATOM 1072 CB THR A 67 4.729 -2.354 -6.867 1.00 0.00 C ATOM 1073 OG1 THR A 67 4.576 -3.760 -6.647 1.00 0.00 O ATOM 1074 CG2 THR A 67 4.149 -1.982 -8.222 1.00 0.00 C ATOM 0 H THR A 67 6.812 -2.564 -4.863 1.00 0.00 H new ATOM 0 HA THR A 67 6.678 -2.114 -7.762 1.00 0.00 H new ATOM 0 HB THR A 67 4.190 -1.806 -6.094 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.627 -3.998 -6.699 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.097 -2.265 -8.258 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.241 -0.907 -8.374 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.693 -2.507 -9.007 1.00 0.00 H new ATOM 1082 N ARG A 68 6.642 0.357 -7.372 1.00 0.00 N ATOM 1083 CA ARG A 68 6.774 1.792 -7.127 1.00 0.00 C ATOM 1084 C ARG A 68 5.661 2.575 -7.821 1.00 0.00 C ATOM 1085 O ARG A 68 5.414 2.396 -9.013 1.00 0.00 O ATOM 1086 CB ARG A 68 8.140 2.289 -7.604 1.00 0.00 C ATOM 1087 CG ARG A 68 9.251 1.261 -7.449 1.00 0.00 C ATOM 1088 CD ARG A 68 10.522 1.698 -8.162 1.00 0.00 C ATOM 1089 NE ARG A 68 11.656 1.807 -7.247 1.00 0.00 N ATOM 1090 CZ ARG A 68 12.447 0.787 -6.925 1.00 0.00 C ATOM 1091 NH1 ARG A 68 12.227 -0.416 -7.440 1.00 0.00 N ATOM 1092 NH2 ARG A 68 13.458 0.969 -6.086 1.00 0.00 N ATOM 0 H ARG A 68 6.812 0.077 -8.338 1.00 0.00 H new ATOM 0 HA ARG A 68 6.689 1.958 -6.053 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.067 2.577 -8.653 1.00 0.00 H new ATOM 0 HB3 ARG A 68 8.406 3.186 -7.045 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.461 1.108 -6.390 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.920 0.303 -7.850 1.00 0.00 H new ATOM 0 HD2 ARG A 68 10.760 0.983 -8.949 1.00 0.00 H new ATOM 0 HD3 ARG A 68 10.353 2.660 -8.646 1.00 0.00 H new ATOM 0 HE ARG A 68 11.852 2.717 -6.831 1.00 0.00 H new ATOM 0 HH11 ARG A 68 11.450 -0.560 -8.085 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.835 -1.196 -7.191 1.00 0.00 H new ATOM 0 HH21 ARG A 68 13.630 1.892 -5.687 1.00 0.00 H new ATOM 0 HH22 ARG A 68 14.064 0.186 -5.840 1.00 0.00 H new ATOM 1106 N PHE A 69 4.994 3.444 -7.066 1.00 0.00 N ATOM 1107 CA PHE A 69 3.905 4.259 -7.604 1.00 0.00 C ATOM 1108 C PHE A 69 3.699 5.525 -6.779 1.00 0.00 C ATOM 1109 O PHE A 69 3.554 5.465 -5.560 1.00 0.00 O ATOM 1110 CB PHE A 69 2.607 3.447 -7.654 1.00 0.00 C ATOM 1111 CG PHE A 69 2.163 2.930 -6.315 1.00 0.00 C ATOM 1112 CD1 PHE A 69 2.739 1.794 -5.771 1.00 0.00 C ATOM 1113 CD2 PHE A 69 1.169 3.580 -5.601 1.00 0.00 C ATOM 1114 CE1 PHE A 69 2.332 1.315 -4.541 1.00 0.00 C ATOM 1115 CE2 PHE A 69 0.758 3.107 -4.370 1.00 0.00 C ATOM 1116 CZ PHE A 69 1.340 1.973 -3.839 1.00 0.00 C ATOM 0 H PHE A 69 5.188 3.603 -6.077 1.00 0.00 H new ATOM 0 HA PHE A 69 4.180 4.556 -8.616 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.816 4.069 -8.073 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.743 2.604 -8.332 1.00 0.00 H new ATOM 0 HD1 PHE A 69 3.515 1.277 -6.315 1.00 0.00 H new ATOM 0 HD2 PHE A 69 0.710 4.467 -6.012 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.788 0.427 -4.128 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -0.017 3.623 -3.824 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.021 1.601 -2.877 1.00 0.00 H new ATOM 1126 N ASP A 70 3.670 6.669 -7.455 1.00 0.00 N ATOM 1127 CA ASP A 70 3.462 7.947 -6.782 1.00 0.00 C ATOM 1128 C ASP A 70 1.991 8.334 -6.847 1.00 0.00 C ATOM 1129 O ASP A 70 1.350 8.193 -7.888 1.00 0.00 O ATOM 1130 CB ASP A 70 4.319 9.045 -7.418 1.00 0.00 C ATOM 1131 CG ASP A 70 4.000 9.244 -8.887 1.00 0.00 C ATOM 1132 OD1 ASP A 70 3.042 9.985 -9.191 1.00 0.00 O ATOM 1133 OD2 ASP A 70 4.708 8.658 -9.732 1.00 0.00 O ATOM 0 H ASP A 70 3.788 6.738 -8.466 1.00 0.00 H new ATOM 0 HA ASP A 70 3.761 7.839 -5.740 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.161 9.982 -6.884 1.00 0.00 H new ATOM 0 HB3 ASP A 70 5.373 8.790 -7.308 1.00 0.00 H new ATOM 1138 N PHE A 71 1.458 8.812 -5.732 1.00 0.00 N ATOM 1139 CA PHE A 71 0.058 9.206 -5.671 1.00 0.00 C ATOM 1140 C PHE A 71 -0.121 10.451 -4.809 1.00 0.00 C ATOM 1141 O PHE A 71 0.737 10.775 -3.994 1.00 0.00 O ATOM 1142 CB PHE A 71 -0.786 8.046 -5.136 1.00 0.00 C ATOM 1143 CG PHE A 71 -0.534 7.728 -3.690 1.00 0.00 C ATOM 1144 CD1 PHE A 71 0.555 6.955 -3.316 1.00 0.00 C ATOM 1145 CD2 PHE A 71 -1.387 8.197 -2.703 1.00 0.00 C ATOM 1146 CE1 PHE A 71 0.787 6.657 -1.987 1.00 0.00 C ATOM 1147 CE2 PHE A 71 -1.160 7.902 -1.373 1.00 0.00 C ATOM 1148 CZ PHE A 71 -0.071 7.131 -1.014 1.00 0.00 C ATOM 0 H PHE A 71 1.972 8.936 -4.860 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.280 9.450 -6.678 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -1.841 8.286 -5.267 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -0.585 7.157 -5.734 1.00 0.00 H new ATOM 0 HD1 PHE A 71 1.229 6.582 -4.072 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -2.240 8.801 -2.977 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.639 6.054 -1.709 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -1.833 8.274 -0.614 1.00 0.00 H new ATOM 0 HZ PHE A 71 0.109 6.899 0.025 1.00 0.00 H new ATOM 1158 N THR A 72 -1.233 11.153 -5.007 1.00 0.00 N ATOM 1159 CA THR A 72 -1.516 12.376 -4.260 1.00 0.00 C ATOM 1160 C THR A 72 -2.653 12.183 -3.260 1.00 0.00 C ATOM 1161 O THR A 72 -3.339 11.162 -3.284 1.00 0.00 O ATOM 1162 CB THR A 72 -1.871 13.544 -5.199 1.00 0.00 C ATOM 1163 OG1 THR A 72 -3.256 13.481 -5.561 1.00 0.00 O ATOM 1164 CG2 THR A 72 -1.011 13.515 -6.454 1.00 0.00 C ATOM 0 H THR A 72 -1.955 10.896 -5.680 1.00 0.00 H new ATOM 0 HA THR A 72 -0.603 12.616 -3.716 1.00 0.00 H new ATOM 0 HB THR A 72 -1.677 14.476 -4.668 1.00 0.00 H new ATOM 0 HG1 THR A 72 -3.473 14.228 -6.157 1.00 0.00 H new ATOM 0 HG21 THR A 72 -1.282 14.350 -7.100 1.00 0.00 H new ATOM 0 HG22 THR A 72 0.040 13.597 -6.177 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.174 12.577 -6.985 1.00 0.00 H new