USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=13 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 Single : A 11 HIS : no HE2:sc= -0.0705 K(o=-0.07,f=-0.75) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 TYR OH : rot 24:sc= 0.0108 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.438 X(o=-0.44,f=-0.028) USER MOD Single : A 24 SER OG : rot 30:sc= 0.0708 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 HD1:sc= -0.502 X(o=-0.5,f=-0.79) USER MOD Single : A 38 ASN : amide:sc= -3.15! K(o=-3.1!,f=-0.87) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 150: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= -0.922 K(o=-0.92,f=-0.18) USER MOD Single : A 57 SER OG : rot 175:sc= -3.55! USER MOD Single : A 59 GLN : amide:sc= -2.9 K(o=-2.9,f=-6.7!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= -1.3 USER MOD Single : A 63 HIS : no HD1:sc= -0.571 K(o=-0.57,f=-2) USER MOD Single : A 64 GLN : amide:sc= -1.44! K(o=-1.4!,f=0) 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 -1.019 -15.736 -1.532 1.00 0.00 N ATOM 143 CA HIS A 11 -0.711 -14.531 -0.772 1.00 0.00 C ATOM 144 C HIS A 11 0.698 -14.595 -0.187 1.00 0.00 C ATOM 145 O HIS A 11 1.297 -15.667 -0.098 1.00 0.00 O ATOM 146 CB HIS A 11 -1.734 -14.333 0.349 1.00 0.00 C ATOM 147 CG HIS A 11 -1.613 -15.336 1.454 1.00 0.00 C ATOM 148 ND1 HIS A 11 -1.620 -16.685 1.199 1.00 0.00 N ATOM 149 CD2 HIS A 11 -1.485 -15.138 2.788 1.00 0.00 C ATOM 150 CE1 HIS A 11 -1.496 -17.276 2.374 1.00 0.00 C ATOM 151 NE2 HIS A 11 -1.411 -16.378 3.367 1.00 0.00 N ATOM 0 HA HIS A 11 -0.760 -13.682 -1.454 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -1.617 -13.332 0.764 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -2.738 -14.388 -0.072 1.00 0.00 H new ATOM 0 HD1 HIS A 11 -1.704 -17.138 0.289 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -1.448 -14.186 3.297 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -1.467 -18.346 2.517 1.00 0.00 H new ATOM 159 N ILE A 12 1.216 -13.438 0.212 1.00 0.00 N ATOM 160 CA ILE A 12 2.551 -13.351 0.792 1.00 0.00 C ATOM 161 C ILE A 12 2.482 -13.343 2.316 1.00 0.00 C ATOM 162 O ILE A 12 1.491 -12.898 2.896 1.00 0.00 O ATOM 163 CB ILE A 12 3.286 -12.080 0.314 1.00 0.00 C ATOM 164 CG1 ILE A 12 4.673 -11.983 0.955 1.00 0.00 C ATOM 165 CG2 ILE A 12 2.462 -10.840 0.631 1.00 0.00 C ATOM 166 CD1 ILE A 12 5.807 -12.183 -0.026 1.00 0.00 C ATOM 0 H ILE A 12 0.729 -12.544 0.144 1.00 0.00 H new ATOM 0 HA ILE A 12 3.105 -14.229 0.459 1.00 0.00 H new ATOM 0 HB ILE A 12 3.415 -12.143 -0.767 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.779 -11.006 1.426 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.752 -12.729 1.746 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.994 -9.952 0.288 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.499 -10.904 0.125 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.303 -10.774 1.707 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.760 -12.101 0.497 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.726 -13.171 -0.479 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.754 -11.421 -0.804 1.00 0.00 H new ATOM 178 N SER A 13 3.541 -13.832 2.957 1.00 0.00 N ATOM 179 CA SER A 13 3.603 -13.870 4.413 1.00 0.00 C ATOM 180 C SER A 13 3.235 -12.510 4.993 1.00 0.00 C ATOM 181 O SER A 13 2.433 -12.416 5.923 1.00 0.00 O ATOM 182 CB SER A 13 5.003 -14.275 4.877 1.00 0.00 C ATOM 183 OG SER A 13 4.942 -15.087 6.037 1.00 0.00 O ATOM 0 H SER A 13 4.367 -14.207 2.490 1.00 0.00 H new ATOM 0 HA SER A 13 2.888 -14.611 4.770 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.512 -14.814 4.078 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.593 -13.382 5.085 1.00 0.00 H new ATOM 0 HG SER A 13 5.850 -15.333 6.312 1.00 0.00 H new ATOM 189 N LYS A 14 3.818 -11.456 4.428 1.00 0.00 N ATOM 190 CA LYS A 14 3.542 -10.099 4.879 1.00 0.00 C ATOM 191 C LYS A 14 3.962 -9.074 3.829 1.00 0.00 C ATOM 192 O LYS A 14 4.971 -9.247 3.145 1.00 0.00 O ATOM 193 CB LYS A 14 4.270 -9.820 6.195 1.00 0.00 C ATOM 194 CG LYS A 14 5.768 -10.070 6.125 1.00 0.00 C ATOM 195 CD LYS A 14 6.413 -9.969 7.498 1.00 0.00 C ATOM 196 CE LYS A 14 7.904 -10.259 7.434 1.00 0.00 C ATOM 197 NZ LYS A 14 8.195 -11.711 7.598 1.00 0.00 N ATOM 0 H LYS A 14 4.484 -11.518 3.658 1.00 0.00 H new ATOM 0 HA LYS A 14 2.467 -10.010 5.036 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.096 -8.784 6.485 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.842 -10.446 6.978 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.954 -11.059 5.706 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.228 -9.347 5.451 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.252 -8.970 7.904 1.00 0.00 H new ATOM 0 HD3 LYS A 14 5.933 -10.672 8.179 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.300 -9.915 6.479 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.417 -9.696 8.213 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.222 -11.867 7.548 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.840 -12.034 8.521 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.726 -12.247 6.840 1.00 0.00 H new ATOM 211 N TYR A 15 3.187 -7.998 3.720 1.00 0.00 N ATOM 212 CA TYR A 15 3.478 -6.929 2.770 1.00 0.00 C ATOM 213 C TYR A 15 3.850 -5.659 3.524 1.00 0.00 C ATOM 214 O TYR A 15 3.250 -5.347 4.548 1.00 0.00 O ATOM 215 CB TYR A 15 2.263 -6.659 1.875 1.00 0.00 C ATOM 216 CG TYR A 15 2.542 -6.788 0.393 1.00 0.00 C ATOM 217 CD1 TYR A 15 3.605 -6.116 -0.199 1.00 0.00 C ATOM 218 CD2 TYR A 15 1.732 -7.576 -0.414 1.00 0.00 C ATOM 219 CE1 TYR A 15 3.853 -6.227 -1.554 1.00 0.00 C ATOM 220 CE2 TYR A 15 1.973 -7.693 -1.770 1.00 0.00 C ATOM 221 CZ TYR A 15 3.034 -7.017 -2.334 1.00 0.00 C ATOM 222 OH TYR A 15 3.278 -7.131 -3.683 1.00 0.00 O ATOM 0 H TYR A 15 2.349 -7.843 4.281 1.00 0.00 H new ATOM 0 HA TYR A 15 4.313 -7.239 2.142 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.466 -7.352 2.145 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.893 -5.654 2.077 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.248 -5.497 0.410 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.900 -8.106 0.025 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.683 -5.699 -2.000 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.334 -8.310 -2.384 1.00 0.00 H new ATOM 0 HH TYR A 15 4.221 -6.936 -3.862 1.00 0.00 H new ATOM 232 N ILE A 16 4.832 -4.924 3.019 1.00 0.00 N ATOM 233 CA ILE A 16 5.254 -3.690 3.667 1.00 0.00 C ATOM 234 C ILE A 16 4.950 -2.490 2.783 1.00 0.00 C ATOM 235 O ILE A 16 5.364 -2.435 1.625 1.00 0.00 O ATOM 236 CB ILE A 16 6.763 -3.718 4.029 1.00 0.00 C ATOM 237 CG1 ILE A 16 6.940 -4.010 5.523 1.00 0.00 C ATOM 238 CG2 ILE A 16 7.453 -2.405 3.664 1.00 0.00 C ATOM 239 CD1 ILE A 16 6.426 -2.904 6.425 1.00 0.00 C ATOM 0 H ILE A 16 5.347 -5.158 2.170 1.00 0.00 H new ATOM 0 HA ILE A 16 4.689 -3.600 4.595 1.00 0.00 H new ATOM 0 HB ILE A 16 7.231 -4.512 3.448 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.421 -4.937 5.767 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.998 -4.173 5.730 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.508 -2.462 3.932 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.360 -2.231 2.592 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.984 -1.584 4.207 1.00 0.00 H new ATOM 0 HD11 ILE A 16 6.585 -3.181 7.467 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.962 -1.980 6.209 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.361 -2.755 6.248 1.00 0.00 H new ATOM 251 N LEU A 17 4.224 -1.530 3.336 1.00 0.00 N ATOM 252 CA LEU A 17 3.871 -0.332 2.597 1.00 0.00 C ATOM 253 C LEU A 17 4.631 0.866 3.140 1.00 0.00 C ATOM 254 O LEU A 17 4.417 1.290 4.277 1.00 0.00 O ATOM 255 CB LEU A 17 2.364 -0.078 2.680 1.00 0.00 C ATOM 256 CG LEU A 17 1.775 0.703 1.502 1.00 0.00 C ATOM 257 CD1 LEU A 17 0.617 -0.063 0.881 1.00 0.00 C ATOM 258 CD2 LEU A 17 1.322 2.083 1.952 1.00 0.00 C ATOM 0 H LEU A 17 3.869 -1.559 4.292 1.00 0.00 H new ATOM 0 HA LEU A 17 4.145 -0.478 1.552 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.852 -1.038 2.753 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.152 0.467 3.600 1.00 0.00 H new ATOM 0 HG LEU A 17 2.551 0.825 0.746 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.210 0.507 0.045 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.971 -1.030 0.523 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.161 -0.215 1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.906 2.624 1.102 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.561 1.982 2.726 1.00 0.00 H new ATOM 0 HD23 LEU A 17 2.174 2.633 2.351 1.00 0.00 H new ATOM 270 N ARG A 18 5.509 1.416 2.316 1.00 0.00 N ATOM 271 CA ARG A 18 6.295 2.574 2.705 1.00 0.00 C ATOM 272 C ARG A 18 5.871 3.780 1.888 1.00 0.00 C ATOM 273 O ARG A 18 5.797 3.711 0.662 1.00 0.00 O ATOM 274 CB ARG A 18 7.787 2.300 2.506 1.00 0.00 C ATOM 275 CG ARG A 18 8.302 1.119 3.314 1.00 0.00 C ATOM 276 CD ARG A 18 9.437 0.394 2.602 1.00 0.00 C ATOM 277 NE ARG A 18 9.695 0.937 1.270 1.00 0.00 N ATOM 278 CZ ARG A 18 10.915 1.117 0.770 1.00 0.00 C ATOM 279 NH1 ARG A 18 11.983 0.799 1.488 1.00 0.00 N ATOM 280 NH2 ARG A 18 11.064 1.614 -0.450 1.00 0.00 N ATOM 0 H ARG A 18 5.695 1.078 1.372 1.00 0.00 H new ATOM 0 HA ARG A 18 6.121 2.779 3.761 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.976 2.116 1.448 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.351 3.191 2.781 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.648 1.468 4.287 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.485 0.421 3.498 1.00 0.00 H new ATOM 0 HD2 ARG A 18 10.344 0.466 3.203 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.193 -0.665 2.519 1.00 0.00 H new ATOM 0 HE ARG A 18 8.895 1.192 0.691 1.00 0.00 H new ATOM 0 HH11 ARG A 18 11.871 0.415 2.426 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.917 0.938 1.102 1.00 0.00 H new ATOM 0 HH21 ARG A 18 10.244 1.858 -1.005 1.00 0.00 H new ATOM 0 HH22 ARG A 18 11.999 1.752 -0.834 1.00 0.00 H new ATOM 294 N TRP A 19 5.583 4.884 2.563 1.00 0.00 N ATOM 295 CA TRP A 19 5.157 6.084 1.864 1.00 0.00 C ATOM 296 C TRP A 19 5.641 7.352 2.550 1.00 0.00 C ATOM 297 O TRP A 19 5.763 7.410 3.775 1.00 0.00 O ATOM 298 CB TRP A 19 3.633 6.102 1.706 1.00 0.00 C ATOM 299 CG TRP A 19 2.892 6.434 2.966 1.00 0.00 C ATOM 300 CD1 TRP A 19 2.387 7.651 3.321 1.00 0.00 C ATOM 301 CD2 TRP A 19 2.564 5.534 4.030 1.00 0.00 C ATOM 302 NE1 TRP A 19 1.764 7.563 4.543 1.00 0.00 N ATOM 303 CE2 TRP A 19 1.860 6.275 4.999 1.00 0.00 C ATOM 304 CE3 TRP A 19 2.798 4.177 4.258 1.00 0.00 C ATOM 305 CZ2 TRP A 19 1.388 5.700 6.177 1.00 0.00 C ATOM 306 CZ3 TRP A 19 2.329 3.607 5.427 1.00 0.00 C ATOM 307 CH2 TRP A 19 1.630 4.367 6.373 1.00 0.00 C ATOM 0 H TRP A 19 5.636 4.972 3.578 1.00 0.00 H new ATOM 0 HA TRP A 19 5.614 6.061 0.875 1.00 0.00 H new ATOM 0 HB2 TRP A 19 3.366 6.828 0.938 1.00 0.00 H new ATOM 0 HB3 TRP A 19 3.304 5.126 1.350 1.00 0.00 H new ATOM 0 HD1 TRP A 19 2.465 8.551 2.729 1.00 0.00 H new ATOM 0 HE1 TRP A 19 1.305 8.332 5.031 1.00 0.00 H new ATOM 0 HE3 TRP A 19 3.336 3.583 3.534 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 0.851 6.285 6.909 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 2.505 2.558 5.614 1.00 0.00 H new ATOM 0 HH2 TRP A 19 1.275 3.892 7.275 1.00 0.00 H new ATOM 318 N ARG A 20 5.914 8.364 1.734 1.00 0.00 N ATOM 319 CA ARG A 20 6.386 9.651 2.223 1.00 0.00 C ATOM 320 C ARG A 20 5.952 10.764 1.270 1.00 0.00 C ATOM 321 O ARG A 20 5.881 10.557 0.059 1.00 0.00 O ATOM 322 CB ARG A 20 7.914 9.631 2.378 1.00 0.00 C ATOM 323 CG ARG A 20 8.640 10.739 1.623 1.00 0.00 C ATOM 324 CD ARG A 20 8.945 10.329 0.190 1.00 0.00 C ATOM 325 NE ARG A 20 10.296 10.710 -0.215 1.00 0.00 N ATOM 326 CZ ARG A 20 10.571 11.373 -1.335 1.00 0.00 C ATOM 327 NH1 ARG A 20 9.593 11.737 -2.153 1.00 0.00 N ATOM 328 NH2 ARG A 20 11.827 11.674 -1.637 1.00 0.00 N ATOM 0 H ARG A 20 5.815 8.315 0.720 1.00 0.00 H new ATOM 0 HA ARG A 20 5.946 9.844 3.201 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.160 9.708 3.437 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.289 8.667 2.033 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.029 11.641 1.622 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.569 10.984 2.138 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.828 9.250 0.089 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.222 10.792 -0.481 1.00 0.00 H new ATOM 0 HE ARG A 20 11.072 10.453 0.395 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.625 11.509 -1.924 1.00 0.00 H new ATOM 0 HH12 ARG A 20 9.808 12.245 -3.011 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.583 11.397 -1.010 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.037 12.182 -2.496 1.00 0.00 H new ATOM 342 N PRO A 21 5.647 11.958 1.802 1.00 0.00 N ATOM 343 CA PRO A 21 5.211 13.093 0.983 1.00 0.00 C ATOM 344 C PRO A 21 6.227 13.464 -0.089 1.00 0.00 C ATOM 345 O PRO A 21 7.299 13.989 0.211 1.00 0.00 O ATOM 346 CB PRO A 21 5.080 14.236 1.990 1.00 0.00 C ATOM 347 CG PRO A 21 4.893 13.566 3.305 1.00 0.00 C ATOM 348 CD PRO A 21 5.683 12.293 3.236 1.00 0.00 C ATOM 0 HA PRO A 21 4.290 12.866 0.445 1.00 0.00 H new ATOM 0 HB2 PRO A 21 5.969 14.866 1.990 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.233 14.879 1.750 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.244 14.200 4.119 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.839 13.361 3.492 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.704 12.432 3.593 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.236 11.507 3.845 1.00 0.00 H new ATOM 356 N LYS A 22 5.876 13.196 -1.340 1.00 0.00 N ATOM 357 CA LYS A 22 6.751 13.511 -2.462 1.00 0.00 C ATOM 358 C LYS A 22 6.868 15.020 -2.641 1.00 0.00 C ATOM 359 O LYS A 22 7.910 15.530 -3.052 1.00 0.00 O ATOM 360 CB LYS A 22 6.216 12.874 -3.746 1.00 0.00 C ATOM 361 CG LYS A 22 7.047 11.700 -4.232 1.00 0.00 C ATOM 362 CD LYS A 22 6.482 11.109 -5.514 1.00 0.00 C ATOM 363 CE LYS A 22 7.532 11.050 -6.610 1.00 0.00 C ATOM 364 NZ LYS A 22 7.554 12.294 -7.427 1.00 0.00 N ATOM 0 H LYS A 22 4.992 12.761 -1.603 1.00 0.00 H new ATOM 0 HA LYS A 22 7.741 13.106 -2.250 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.193 12.539 -3.577 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.178 13.631 -4.529 1.00 0.00 H new ATOM 0 HG2 LYS A 22 8.073 12.025 -4.402 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.080 10.932 -3.460 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.103 10.106 -5.317 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.636 11.709 -5.851 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.514 10.892 -6.164 1.00 0.00 H new ATOM 0 HE3 LYS A 22 7.334 10.195 -7.256 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.284 12.213 -8.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 6.625 12.432 -7.874 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.768 13.107 -6.815 1.00 0.00 H new ATOM 378 N ASN A 23 5.787 15.727 -2.324 1.00 0.00 N ATOM 379 CA ASN A 23 5.756 17.179 -2.443 1.00 0.00 C ATOM 380 C ASN A 23 6.430 17.836 -1.242 1.00 0.00 C ATOM 381 O ASN A 23 6.821 19.003 -1.296 1.00 0.00 O ATOM 382 CB ASN A 23 4.309 17.665 -2.564 1.00 0.00 C ATOM 383 CG ASN A 23 4.214 19.097 -3.058 1.00 0.00 C ATOM 384 OD1 ASN A 23 3.498 19.917 -2.482 1.00 0.00 O ATOM 385 ND2 ASN A 23 4.937 19.405 -4.128 1.00 0.00 N ATOM 0 H ASN A 23 4.919 15.315 -1.982 1.00 0.00 H new ATOM 0 HA ASN A 23 6.304 17.462 -3.342 1.00 0.00 H new ATOM 0 HB2 ASN A 23 3.766 17.012 -3.247 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.821 17.586 -1.593 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.913 20.353 -4.504 1.00 0.00 H new ATOM 0 HD22 ASN A 23 5.517 18.694 -4.574 1.00 0.00 H new ATOM 392 N SER A 24 6.565 17.075 -0.160 1.00 0.00 N ATOM 393 CA SER A 24 7.193 17.573 1.061 1.00 0.00 C ATOM 394 C SER A 24 7.888 16.437 1.809 1.00 0.00 C ATOM 395 O SER A 24 7.411 15.981 2.849 1.00 0.00 O ATOM 396 CB SER A 24 6.150 18.238 1.963 1.00 0.00 C ATOM 397 OG SER A 24 6.040 19.623 1.682 1.00 0.00 O ATOM 0 H SER A 24 6.247 16.108 -0.103 1.00 0.00 H new ATOM 0 HA SER A 24 7.942 18.315 0.784 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.182 17.757 1.821 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.426 18.097 3.008 1.00 0.00 H new ATOM 0 HG SER A 24 6.244 19.782 0.737 1.00 0.00 H new ATOM 403 N VAL A 25 9.012 15.982 1.261 1.00 0.00 N ATOM 404 CA VAL A 25 9.781 14.891 1.856 1.00 0.00 C ATOM 405 C VAL A 25 9.984 15.088 3.357 1.00 0.00 C ATOM 406 O VAL A 25 10.108 16.216 3.837 1.00 0.00 O ATOM 407 CB VAL A 25 11.158 14.746 1.177 1.00 0.00 C ATOM 408 CG1 VAL A 25 10.991 14.519 -0.317 1.00 0.00 C ATOM 409 CG2 VAL A 25 12.021 15.970 1.443 1.00 0.00 C ATOM 0 H VAL A 25 9.413 16.355 0.400 1.00 0.00 H new ATOM 0 HA VAL A 25 9.200 13.982 1.699 1.00 0.00 H new ATOM 0 HB VAL A 25 11.662 13.878 1.603 1.00 0.00 H new ATOM 0 HG11 VAL A 25 11.972 14.419 -0.782 1.00 0.00 H new ATOM 0 HG12 VAL A 25 10.415 13.609 -0.485 1.00 0.00 H new ATOM 0 HG13 VAL A 25 10.466 15.367 -0.757 1.00 0.00 H new ATOM 0 HG21 VAL A 25 12.988 15.847 0.955 1.00 0.00 H new ATOM 0 HG22 VAL A 25 11.526 16.857 1.048 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.169 16.085 2.517 1.00 0.00 H new ATOM 419 N GLY A 26 10.017 13.979 4.092 1.00 0.00 N ATOM 420 CA GLY A 26 10.206 14.043 5.530 1.00 0.00 C ATOM 421 C GLY A 26 9.877 12.733 6.223 1.00 0.00 C ATOM 422 O GLY A 26 8.797 12.582 6.795 1.00 0.00 O ATOM 0 H GLY A 26 9.916 13.036 3.716 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.240 14.313 5.745 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.578 14.834 5.940 1.00 0.00 H new ATOM 426 N ARG A 27 10.818 11.787 6.174 1.00 0.00 N ATOM 427 CA ARG A 27 10.642 10.476 6.803 1.00 0.00 C ATOM 428 C ARG A 27 9.516 9.681 6.139 1.00 0.00 C ATOM 429 O ARG A 27 8.535 10.250 5.662 1.00 0.00 O ATOM 430 CB ARG A 27 10.357 10.638 8.300 1.00 0.00 C ATOM 431 CG ARG A 27 10.133 9.323 9.029 1.00 0.00 C ATOM 432 CD ARG A 27 9.066 9.457 10.103 1.00 0.00 C ATOM 433 NE ARG A 27 7.720 9.476 9.537 1.00 0.00 N ATOM 434 CZ ARG A 27 6.789 10.362 9.877 1.00 0.00 C ATOM 435 NH1 ARG A 27 7.058 11.299 10.776 1.00 0.00 N ATOM 436 NH2 ARG A 27 5.589 10.313 9.315 1.00 0.00 N ATOM 0 H ARG A 27 11.715 11.906 5.702 1.00 0.00 H new ATOM 0 HA ARG A 27 11.570 9.919 6.672 1.00 0.00 H new ATOM 0 HB2 ARG A 27 11.192 11.162 8.764 1.00 0.00 H new ATOM 0 HB3 ARG A 27 9.476 11.267 8.426 1.00 0.00 H new ATOM 0 HG2 ARG A 27 9.837 8.555 8.314 1.00 0.00 H new ATOM 0 HG3 ARG A 27 11.068 8.993 9.482 1.00 0.00 H new ATOM 0 HD2 ARG A 27 9.152 8.628 10.805 1.00 0.00 H new ATOM 0 HD3 ARG A 27 9.234 10.373 10.669 1.00 0.00 H new ATOM 0 HE ARG A 27 7.481 8.769 8.841 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.981 11.341 11.208 1.00 0.00 H new ATOM 0 HH12 ARG A 27 6.342 11.978 11.035 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.380 9.595 8.621 1.00 0.00 H new ATOM 0 HH22 ARG A 27 4.875 10.993 9.576 1.00 0.00 H new ATOM 450 N TRP A 28 9.667 8.358 6.119 1.00 0.00 N ATOM 451 CA TRP A 28 8.668 7.479 5.522 1.00 0.00 C ATOM 452 C TRP A 28 7.804 6.828 6.600 1.00 0.00 C ATOM 453 O TRP A 28 7.961 7.108 7.789 1.00 0.00 O ATOM 454 CB TRP A 28 9.348 6.390 4.685 1.00 0.00 C ATOM 455 CG TRP A 28 10.010 6.907 3.443 1.00 0.00 C ATOM 456 CD1 TRP A 28 11.095 7.734 3.371 1.00 0.00 C ATOM 457 CD2 TRP A 28 9.630 6.624 2.091 1.00 0.00 C ATOM 458 NE1 TRP A 28 11.412 7.983 2.057 1.00 0.00 N ATOM 459 CE2 TRP A 28 10.526 7.314 1.252 1.00 0.00 C ATOM 460 CE3 TRP A 28 8.618 5.856 1.508 1.00 0.00 C ATOM 461 CZ2 TRP A 28 10.441 7.255 -0.138 1.00 0.00 C ATOM 462 CZ3 TRP A 28 8.533 5.799 0.130 1.00 0.00 C ATOM 463 CH2 TRP A 28 9.439 6.495 -0.680 1.00 0.00 C ATOM 0 H TRP A 28 10.474 7.872 6.511 1.00 0.00 H new ATOM 0 HA TRP A 28 8.030 8.084 4.877 1.00 0.00 H new ATOM 0 HB2 TRP A 28 10.093 5.885 5.299 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.605 5.643 4.406 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.626 8.134 4.222 1.00 0.00 H new ATOM 0 HE1 TRP A 28 12.181 8.570 1.733 1.00 0.00 H new ATOM 0 HE3 TRP A 28 7.914 5.316 2.124 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 11.140 7.789 -0.765 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 7.755 5.208 -0.330 1.00 0.00 H new ATOM 0 HH2 TRP A 28 9.346 6.431 -1.754 1.00 0.00 H new ATOM 474 N LYS A 29 6.900 5.949 6.177 1.00 0.00 N ATOM 475 CA LYS A 29 6.017 5.242 7.101 1.00 0.00 C ATOM 476 C LYS A 29 5.881 3.787 6.669 1.00 0.00 C ATOM 477 O LYS A 29 6.046 3.473 5.493 1.00 0.00 O ATOM 478 CB LYS A 29 4.643 5.913 7.150 1.00 0.00 C ATOM 479 CG LYS A 29 4.411 6.735 8.408 1.00 0.00 C ATOM 480 CD LYS A 29 3.144 6.307 9.130 1.00 0.00 C ATOM 481 CE LYS A 29 3.145 6.767 10.579 1.00 0.00 C ATOM 482 NZ LYS A 29 2.209 7.905 10.801 1.00 0.00 N ATOM 0 H LYS A 29 6.759 5.708 5.196 1.00 0.00 H new ATOM 0 HA LYS A 29 6.450 5.278 8.101 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.532 6.559 6.279 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.871 5.147 7.079 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.265 6.627 9.076 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.342 7.791 8.146 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.275 6.719 8.617 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.051 5.222 9.092 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.864 5.935 11.224 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.154 7.065 10.865 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.239 8.189 11.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.492 8.708 10.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.242 7.613 10.553 1.00 0.00 H new ATOM 496 N GLU A 30 5.601 2.897 7.618 1.00 0.00 N ATOM 497 CA GLU A 30 5.474 1.477 7.301 1.00 0.00 C ATOM 498 C GLU A 30 4.131 0.900 7.744 1.00 0.00 C ATOM 499 O GLU A 30 3.643 1.188 8.837 1.00 0.00 O ATOM 500 CB GLU A 30 6.614 0.679 7.944 1.00 0.00 C ATOM 501 CG GLU A 30 7.479 1.493 8.896 1.00 0.00 C ATOM 502 CD GLU A 30 7.088 1.299 10.349 1.00 0.00 C ATOM 503 OE1 GLU A 30 6.822 0.144 10.743 1.00 0.00 O ATOM 504 OE2 GLU A 30 7.048 2.302 11.092 1.00 0.00 O ATOM 0 H GLU A 30 5.459 3.130 8.601 1.00 0.00 H new ATOM 0 HA GLU A 30 5.531 1.390 6.216 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.191 -0.166 8.487 1.00 0.00 H new ATOM 0 HB3 GLU A 30 7.246 0.268 7.156 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.523 1.211 8.764 1.00 0.00 H new ATOM 0 HG3 GLU A 30 7.400 2.550 8.640 1.00 0.00 H new ATOM 511 N ALA A 31 3.557 0.067 6.879 1.00 0.00 N ATOM 512 CA ALA A 31 2.282 -0.590 7.150 1.00 0.00 C ATOM 513 C ALA A 31 2.317 -2.024 6.627 1.00 0.00 C ATOM 514 O ALA A 31 2.382 -2.247 5.418 1.00 0.00 O ATOM 515 CB ALA A 31 1.137 0.182 6.512 1.00 0.00 C ATOM 0 H ALA A 31 3.962 -0.171 5.973 1.00 0.00 H new ATOM 0 HA ALA A 31 2.119 -0.611 8.227 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.195 -0.323 6.725 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.108 1.192 6.920 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.287 0.230 5.433 1.00 0.00 H new ATOM 521 N THR A 32 2.299 -2.991 7.538 1.00 0.00 N ATOM 522 CA THR A 32 2.357 -4.397 7.152 1.00 0.00 C ATOM 523 C THR A 32 0.973 -5.026 7.017 1.00 0.00 C ATOM 524 O THR A 32 0.164 -4.988 7.945 1.00 0.00 O ATOM 525 CB THR A 32 3.183 -5.225 8.153 1.00 0.00 C ATOM 526 OG1 THR A 32 4.241 -4.427 8.697 1.00 0.00 O ATOM 527 CG2 THR A 32 3.767 -6.458 7.477 1.00 0.00 C ATOM 0 H THR A 32 2.245 -2.829 8.544 1.00 0.00 H new ATOM 0 HA THR A 32 2.841 -4.413 6.176 1.00 0.00 H new ATOM 0 HB THR A 32 2.523 -5.546 8.959 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.760 -4.962 9.334 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.347 -7.030 8.201 1.00 0.00 H new ATOM 0 HG22 THR A 32 2.958 -7.078 7.089 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.414 -6.150 6.656 1.00 0.00 H new ATOM 535 N ILE A 33 0.725 -5.627 5.854 1.00 0.00 N ATOM 536 CA ILE A 33 -0.541 -6.300 5.576 1.00 0.00 C ATOM 537 C ILE A 33 -0.279 -7.617 4.845 1.00 0.00 C ATOM 538 O ILE A 33 0.090 -7.619 3.671 1.00 0.00 O ATOM 539 CB ILE A 33 -1.478 -5.427 4.713 1.00 0.00 C ATOM 540 CG1 ILE A 33 -1.417 -3.963 5.155 1.00 0.00 C ATOM 541 CG2 ILE A 33 -2.907 -5.947 4.792 1.00 0.00 C ATOM 542 CD1 ILE A 33 -1.392 -2.984 4.001 1.00 0.00 C ATOM 0 H ILE A 33 1.392 -5.661 5.083 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.029 -6.486 6.533 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.142 -5.484 3.678 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -2.279 -3.746 5.786 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.528 -3.813 5.767 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.556 -5.322 4.179 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.941 -6.973 4.427 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.248 -5.918 5.827 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -1.349 -1.966 4.388 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.516 -3.174 3.382 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.294 -3.106 3.401 1.00 0.00 H new ATOM 554 N PRO A 34 -0.446 -8.762 5.533 1.00 0.00 N ATOM 555 CA PRO A 34 -0.201 -10.083 4.939 1.00 0.00 C ATOM 556 C PRO A 34 -1.148 -10.413 3.786 1.00 0.00 C ATOM 557 O PRO A 34 -2.337 -10.657 3.994 1.00 0.00 O ATOM 558 CB PRO A 34 -0.420 -11.058 6.103 1.00 0.00 C ATOM 559 CG PRO A 34 -0.353 -10.223 7.337 1.00 0.00 C ATOM 560 CD PRO A 34 -0.853 -8.864 6.944 1.00 0.00 C ATOM 0 HA PRO A 34 0.796 -10.134 4.501 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.384 -11.559 6.020 1.00 0.00 H new ATOM 0 HB3 PRO A 34 0.344 -11.836 6.113 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -0.966 -10.650 8.131 1.00 0.00 H new ATOM 0 HG3 PRO A 34 0.667 -10.169 7.717 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -1.934 -8.781 7.060 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.406 -8.077 7.552 1.00 0.00 H new ATOM 568 N GLY A 35 -0.594 -10.437 2.573 1.00 0.00 N ATOM 569 CA GLY A 35 -1.373 -10.759 1.386 1.00 0.00 C ATOM 570 C GLY A 35 -2.667 -9.975 1.271 1.00 0.00 C ATOM 571 O GLY A 35 -3.607 -10.429 0.617 1.00 0.00 O ATOM 0 H GLY A 35 0.390 -10.237 2.391 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.765 -10.570 0.501 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.604 -11.824 1.392 1.00 0.00 H new ATOM 575 N HIS A 36 -2.717 -8.804 1.897 1.00 0.00 N ATOM 576 CA HIS A 36 -3.909 -7.957 1.858 1.00 0.00 C ATOM 577 C HIS A 36 -5.113 -8.674 2.464 1.00 0.00 C ATOM 578 O HIS A 36 -5.574 -9.691 1.946 1.00 0.00 O ATOM 579 CB HIS A 36 -4.223 -7.533 0.421 1.00 0.00 C ATOM 580 CG HIS A 36 -4.662 -6.105 0.295 1.00 0.00 C ATOM 581 ND1 HIS A 36 -5.099 -5.595 -0.903 1.00 0.00 N ATOM 582 CD2 HIS A 36 -4.712 -5.128 1.236 1.00 0.00 C ATOM 583 CE1 HIS A 36 -5.402 -4.332 -0.670 1.00 0.00 C ATOM 584 NE2 HIS A 36 -5.184 -4.002 0.612 1.00 0.00 N ATOM 0 H HIS A 36 -1.945 -8.417 2.440 1.00 0.00 H new ATOM 0 HA HIS A 36 -3.703 -7.067 2.452 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.337 -7.687 -0.195 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.005 -8.180 0.023 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -4.434 -5.220 2.275 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -5.778 -3.649 -1.418 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -5.339 -3.089 1.040 1.00 0.00 H new ATOM 592 N LEU A 37 -5.616 -8.136 3.568 1.00 0.00 N ATOM 593 CA LEU A 37 -6.764 -8.722 4.251 1.00 0.00 C ATOM 594 C LEU A 37 -8.065 -8.283 3.593 1.00 0.00 C ATOM 595 O LEU A 37 -9.039 -9.034 3.553 1.00 0.00 O ATOM 596 CB LEU A 37 -6.762 -8.313 5.728 1.00 0.00 C ATOM 597 CG LEU A 37 -5.733 -9.028 6.613 1.00 0.00 C ATOM 598 CD1 LEU A 37 -4.345 -8.968 5.995 1.00 0.00 C ATOM 599 CD2 LEU A 37 -5.713 -8.416 8.004 1.00 0.00 C ATOM 0 H LEU A 37 -5.247 -7.294 4.010 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.689 -9.807 4.179 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -6.583 -7.239 5.789 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -7.756 -8.494 6.138 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.027 -10.075 6.691 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -3.636 -9.482 6.643 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -4.360 -9.451 5.018 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -4.043 -7.927 5.880 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.978 -8.935 8.619 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.448 -7.361 7.934 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -6.699 -8.513 8.458 1.00 0.00 H new ATOM 611 N ASN A 38 -8.066 -7.058 3.078 1.00 0.00 N ATOM 612 CA ASN A 38 -9.237 -6.496 2.416 1.00 0.00 C ATOM 613 C ASN A 38 -8.918 -5.106 1.877 1.00 0.00 C ATOM 614 O ASN A 38 -7.760 -4.799 1.591 1.00 0.00 O ATOM 615 CB ASN A 38 -10.420 -6.433 3.390 1.00 0.00 C ATOM 616 CG ASN A 38 -10.299 -5.305 4.401 1.00 0.00 C ATOM 617 OD1 ASN A 38 -11.302 -4.739 4.834 1.00 0.00 O ATOM 618 ND2 ASN A 38 -9.070 -4.972 4.784 1.00 0.00 N ATOM 0 H ASN A 38 -7.262 -6.431 3.107 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.511 -7.140 1.581 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -11.343 -6.308 2.824 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -10.497 -7.382 3.921 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.933 -4.222 5.461 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.265 -5.467 4.401 1.00 0.00 H new ATOM 625 N SER A 39 -9.935 -4.261 1.751 1.00 0.00 N ATOM 626 CA SER A 39 -9.726 -2.907 1.261 1.00 0.00 C ATOM 627 C SER A 39 -9.127 -2.047 2.365 1.00 0.00 C ATOM 628 O SER A 39 -9.818 -1.653 3.305 1.00 0.00 O ATOM 629 CB SER A 39 -11.044 -2.299 0.774 1.00 0.00 C ATOM 630 OG SER A 39 -10.978 -0.883 0.760 1.00 0.00 O ATOM 0 H SER A 39 -10.903 -4.488 1.979 1.00 0.00 H new ATOM 0 HA SER A 39 -9.035 -2.943 0.419 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.269 -2.666 -0.227 1.00 0.00 H new ATOM 0 HB3 SER A 39 -11.859 -2.622 1.422 1.00 0.00 H new ATOM 0 HG SER A 39 -11.831 -0.519 0.444 1.00 0.00 H new ATOM 636 N TYR A 40 -7.835 -1.769 2.248 1.00 0.00 N ATOM 637 CA TYR A 40 -7.134 -0.968 3.239 1.00 0.00 C ATOM 638 C TYR A 40 -6.585 0.309 2.614 1.00 0.00 C ATOM 639 O TYR A 40 -5.819 0.262 1.651 1.00 0.00 O ATOM 640 CB TYR A 40 -6.004 -1.785 3.874 1.00 0.00 C ATOM 641 CG TYR A 40 -5.144 -0.994 4.832 1.00 0.00 C ATOM 642 CD1 TYR A 40 -5.543 -0.792 6.146 1.00 0.00 C ATOM 643 CD2 TYR A 40 -3.934 -0.449 4.422 1.00 0.00 C ATOM 644 CE1 TYR A 40 -4.761 -0.070 7.027 1.00 0.00 C ATOM 645 CE2 TYR A 40 -3.146 0.275 5.297 1.00 0.00 C ATOM 646 CZ TYR A 40 -3.564 0.461 6.597 1.00 0.00 C ATOM 647 OH TYR A 40 -2.781 1.181 7.470 1.00 0.00 O ATOM 0 H TYR A 40 -7.252 -2.088 1.474 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.842 -0.685 4.018 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -6.436 -2.634 4.404 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -5.373 -2.190 3.083 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -6.481 -1.206 6.486 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.604 -0.593 3.404 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -5.086 0.077 8.046 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.208 0.693 4.964 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.838 1.078 7.224 1.00 0.00 H new ATOM 657 N THR A 41 -6.987 1.446 3.168 1.00 0.00 N ATOM 658 CA THR A 41 -6.544 2.740 2.666 1.00 0.00 C ATOM 659 C THR A 41 -5.793 3.522 3.738 1.00 0.00 C ATOM 660 O THR A 41 -6.162 3.497 4.912 1.00 0.00 O ATOM 661 CB THR A 41 -7.732 3.587 2.175 1.00 0.00 C ATOM 662 OG1 THR A 41 -8.822 2.735 1.802 1.00 0.00 O ATOM 663 CG2 THR A 41 -7.328 4.450 0.990 1.00 0.00 C ATOM 0 H THR A 41 -7.620 1.498 3.966 1.00 0.00 H new ATOM 0 HA THR A 41 -5.875 2.539 1.830 1.00 0.00 H new ATOM 0 HB THR A 41 -8.045 4.240 2.990 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.574 3.282 1.493 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.184 5.039 0.661 1.00 0.00 H new ATOM 0 HG22 THR A 41 -6.519 5.118 1.286 1.00 0.00 H new ATOM 0 HG23 THR A 41 -6.991 3.812 0.173 1.00 0.00 H new ATOM 671 N ILE A 42 -4.741 4.221 3.322 1.00 0.00 N ATOM 672 CA ILE A 42 -3.939 5.018 4.242 1.00 0.00 C ATOM 673 C ILE A 42 -4.486 6.439 4.343 1.00 0.00 C ATOM 674 O ILE A 42 -4.727 7.093 3.328 1.00 0.00 O ATOM 675 CB ILE A 42 -2.461 5.070 3.799 1.00 0.00 C ATOM 676 CG1 ILE A 42 -1.799 3.704 3.990 1.00 0.00 C ATOM 677 CG2 ILE A 42 -1.703 6.141 4.568 1.00 0.00 C ATOM 678 CD1 ILE A 42 -1.601 3.316 5.442 1.00 0.00 C ATOM 0 H ILE A 42 -4.425 4.251 2.353 1.00 0.00 H new ATOM 0 HA ILE A 42 -3.995 4.538 5.219 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.431 5.327 2.740 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.408 2.944 3.501 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -0.831 3.707 3.489 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.664 6.159 4.239 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.159 7.113 4.383 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.742 5.919 5.635 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.127 2.336 5.495 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -0.966 4.054 5.932 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.568 3.279 5.944 1.00 0.00 H new ATOM 690 N LYS A 43 -4.677 6.910 5.570 1.00 0.00 N ATOM 691 CA LYS A 43 -5.194 8.254 5.799 1.00 0.00 C ATOM 692 C LYS A 43 -4.134 9.141 6.442 1.00 0.00 C ATOM 693 O LYS A 43 -3.198 8.650 7.073 1.00 0.00 O ATOM 694 CB LYS A 43 -6.442 8.202 6.682 1.00 0.00 C ATOM 695 CG LYS A 43 -7.707 7.852 5.919 1.00 0.00 C ATOM 696 CD LYS A 43 -8.764 8.933 6.067 1.00 0.00 C ATOM 697 CE LYS A 43 -9.955 8.672 5.160 1.00 0.00 C ATOM 698 NZ LYS A 43 -10.560 9.936 4.659 1.00 0.00 N ATOM 0 H LYS A 43 -4.482 6.382 6.421 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.462 8.683 4.833 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -6.288 7.467 7.472 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -6.575 9.169 7.167 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -7.470 7.715 4.864 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.102 6.903 6.283 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.097 8.978 7.104 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.329 9.904 5.829 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -9.640 8.060 4.314 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.707 8.101 5.704 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.369 9.714 4.044 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -10.884 10.509 5.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -9.850 10.470 4.118 1.00 0.00 H new ATOM 712 N GLY A 44 -4.287 10.450 6.273 1.00 0.00 N ATOM 713 CA GLY A 44 -3.334 11.389 6.838 1.00 0.00 C ATOM 714 C GLY A 44 -2.782 12.342 5.798 1.00 0.00 C ATOM 715 O GLY A 44 -1.722 12.937 5.992 1.00 0.00 O ATOM 0 H GLY A 44 -5.054 10.878 5.755 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -3.816 11.960 7.631 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -2.512 10.838 7.296 1.00 0.00 H new ATOM 719 N LEU A 45 -3.506 12.485 4.694 1.00 0.00 N ATOM 720 CA LEU A 45 -3.092 13.371 3.613 1.00 0.00 C ATOM 721 C LEU A 45 -4.169 14.426 3.351 1.00 0.00 C ATOM 722 O LEU A 45 -5.215 14.424 4.000 1.00 0.00 O ATOM 723 CB LEU A 45 -2.794 12.563 2.338 1.00 0.00 C ATOM 724 CG LEU A 45 -2.174 11.178 2.558 1.00 0.00 C ATOM 725 CD1 LEU A 45 -3.208 10.184 3.070 1.00 0.00 C ATOM 726 CD2 LEU A 45 -1.559 10.670 1.267 1.00 0.00 C ATOM 0 H LEU A 45 -4.385 11.997 4.524 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.177 13.882 3.911 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.724 12.440 1.782 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.121 13.146 1.709 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.395 11.275 3.314 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.737 9.212 3.216 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.613 10.537 4.018 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -4.015 10.091 2.343 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -1.122 9.686 1.435 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.330 10.598 0.500 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -0.783 11.361 0.937 1.00 0.00 H new ATOM 738 N LYS A 46 -3.908 15.335 2.412 1.00 0.00 N ATOM 739 CA LYS A 46 -4.861 16.399 2.094 1.00 0.00 C ATOM 740 C LYS A 46 -4.945 16.650 0.586 1.00 0.00 C ATOM 741 O LYS A 46 -4.075 16.223 -0.171 1.00 0.00 O ATOM 742 CB LYS A 46 -4.456 17.687 2.817 1.00 0.00 C ATOM 743 CG LYS A 46 -3.028 18.119 2.524 1.00 0.00 C ATOM 744 CD LYS A 46 -2.986 19.371 1.670 1.00 0.00 C ATOM 745 CE LYS A 46 -3.307 20.612 2.485 1.00 0.00 C ATOM 746 NZ LYS A 46 -4.462 21.366 1.924 1.00 0.00 N ATOM 0 H LYS A 46 -3.050 15.357 1.861 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.847 16.081 2.433 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -5.137 18.487 2.527 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.571 17.544 3.891 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.503 18.300 3.462 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.501 17.313 2.014 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.998 19.474 1.222 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.699 19.278 0.851 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.527 20.323 3.513 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.432 21.261 2.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.647 22.205 2.510 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.243 21.664 0.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -5.304 20.756 1.917 1.00 0.00 H new ATOM 760 N PRO A 47 -6.006 17.344 0.125 1.00 0.00 N ATOM 761 CA PRO A 47 -6.199 17.641 -1.299 1.00 0.00 C ATOM 762 C PRO A 47 -5.134 18.583 -1.851 1.00 0.00 C ATOM 763 O PRO A 47 -5.118 19.771 -1.529 1.00 0.00 O ATOM 764 CB PRO A 47 -7.574 18.323 -1.355 1.00 0.00 C ATOM 765 CG PRO A 47 -8.220 18.030 -0.042 1.00 0.00 C ATOM 766 CD PRO A 47 -7.102 17.885 0.946 1.00 0.00 C ATOM 0 HA PRO A 47 -6.130 16.735 -1.902 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.473 19.397 -1.511 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.171 17.935 -2.181 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.895 18.835 0.249 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -8.815 17.118 -0.095 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.835 18.841 1.397 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -7.367 17.211 1.760 1.00 0.00 H new ATOM 774 N GLY A 48 -4.254 18.050 -2.694 1.00 0.00 N ATOM 775 CA GLY A 48 -3.210 18.869 -3.283 1.00 0.00 C ATOM 776 C GLY A 48 -1.814 18.373 -2.964 1.00 0.00 C ATOM 777 O GLY A 48 -0.827 18.966 -3.400 1.00 0.00 O ATOM 0 H GLY A 48 -4.245 17.071 -2.978 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.342 18.893 -4.365 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.315 19.894 -2.926 1.00 0.00 H new ATOM 781 N VAL A 49 -1.724 17.287 -2.205 1.00 0.00 N ATOM 782 CA VAL A 49 -0.428 16.727 -1.841 1.00 0.00 C ATOM 783 C VAL A 49 -0.284 15.294 -2.337 1.00 0.00 C ATOM 784 O VAL A 49 -1.211 14.490 -2.228 1.00 0.00 O ATOM 785 CB VAL A 49 -0.190 16.762 -0.318 1.00 0.00 C ATOM 786 CG1 VAL A 49 -1.193 15.881 0.409 1.00 0.00 C ATOM 787 CG2 VAL A 49 1.234 16.338 0.007 1.00 0.00 C ATOM 0 H VAL A 49 -2.527 16.780 -1.832 1.00 0.00 H new ATOM 0 HA VAL A 49 0.322 17.353 -2.324 1.00 0.00 H new ATOM 0 HB VAL A 49 -0.332 17.787 0.026 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -1.004 15.923 1.482 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -2.203 16.235 0.205 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.092 14.852 0.063 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.385 16.368 1.086 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.403 15.324 -0.355 1.00 0.00 H new ATOM 0 HG23 VAL A 49 1.935 17.018 -0.477 1.00 0.00 H new ATOM 797 N VAL A 50 0.886 14.980 -2.878 1.00 0.00 N ATOM 798 CA VAL A 50 1.154 13.644 -3.384 1.00 0.00 C ATOM 799 C VAL A 50 2.210 12.942 -2.540 1.00 0.00 C ATOM 800 O VAL A 50 3.223 13.537 -2.169 1.00 0.00 O ATOM 801 CB VAL A 50 1.611 13.674 -4.866 1.00 0.00 C ATOM 802 CG1 VAL A 50 3.028 13.140 -5.028 1.00 0.00 C ATOM 803 CG2 VAL A 50 0.657 12.874 -5.732 1.00 0.00 C ATOM 0 H VAL A 50 1.663 15.633 -2.977 1.00 0.00 H new ATOM 0 HA VAL A 50 0.219 13.088 -3.322 1.00 0.00 H new ATOM 0 HB VAL A 50 1.603 14.715 -5.189 1.00 0.00 H new ATOM 0 HG11 VAL A 50 3.313 13.177 -6.080 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.716 13.751 -4.444 1.00 0.00 H new ATOM 0 HG13 VAL A 50 3.071 12.109 -4.676 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.993 12.906 -6.769 1.00 0.00 H new ATOM 0 HG22 VAL A 50 0.635 11.840 -5.389 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -0.343 13.301 -5.661 1.00 0.00 H new ATOM 813 N TYR A 51 1.978 11.668 -2.264 1.00 0.00 N ATOM 814 CA TYR A 51 2.921 10.871 -1.500 1.00 0.00 C ATOM 815 C TYR A 51 3.540 9.833 -2.419 1.00 0.00 C ATOM 816 O TYR A 51 3.127 9.690 -3.570 1.00 0.00 O ATOM 817 CB TYR A 51 2.237 10.185 -0.305 1.00 0.00 C ATOM 818 CG TYR A 51 1.989 11.113 0.862 1.00 0.00 C ATOM 819 CD1 TYR A 51 1.229 12.266 0.713 1.00 0.00 C ATOM 820 CD2 TYR A 51 2.520 10.835 2.114 1.00 0.00 C ATOM 821 CE1 TYR A 51 1.000 13.114 1.781 1.00 0.00 C ATOM 822 CE2 TYR A 51 2.297 11.674 3.186 1.00 0.00 C ATOM 823 CZ TYR A 51 1.537 12.813 3.015 1.00 0.00 C ATOM 824 OH TYR A 51 1.312 13.653 4.082 1.00 0.00 O ATOM 0 H TYR A 51 1.142 11.164 -2.559 1.00 0.00 H new ATOM 0 HA TYR A 51 3.695 11.526 -1.100 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.286 9.765 -0.633 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.856 9.352 0.029 1.00 0.00 H new ATOM 0 HD1 TYR A 51 0.810 12.504 -0.253 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.118 9.946 2.251 1.00 0.00 H new ATOM 0 HE1 TYR A 51 0.405 14.006 1.650 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.715 11.441 4.154 1.00 0.00 H new ATOM 0 HH TYR A 51 1.759 13.297 4.878 1.00 0.00 H new ATOM 834 N GLU A 52 4.509 9.099 -1.915 1.00 0.00 N ATOM 835 CA GLU A 52 5.145 8.061 -2.708 1.00 0.00 C ATOM 836 C GLU A 52 4.867 6.716 -2.058 1.00 0.00 C ATOM 837 O GLU A 52 5.060 6.566 -0.858 1.00 0.00 O ATOM 838 CB GLU A 52 6.652 8.303 -2.801 1.00 0.00 C ATOM 839 CG GLU A 52 7.255 7.908 -4.138 1.00 0.00 C ATOM 840 CD GLU A 52 8.377 6.898 -3.996 1.00 0.00 C ATOM 841 OE1 GLU A 52 9.529 7.319 -3.762 1.00 0.00 O ATOM 842 OE2 GLU A 52 8.104 5.685 -4.123 1.00 0.00 O ATOM 0 H GLU A 52 4.874 9.198 -0.968 1.00 0.00 H new ATOM 0 HA GLU A 52 4.741 8.075 -3.720 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.853 9.359 -2.620 1.00 0.00 H new ATOM 0 HB3 GLU A 52 7.150 7.744 -2.009 1.00 0.00 H new ATOM 0 HG2 GLU A 52 6.475 7.492 -4.775 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.634 8.799 -4.639 1.00 0.00 H new ATOM 849 N GLY A 53 4.391 5.749 -2.831 1.00 0.00 N ATOM 850 CA GLY A 53 4.077 4.454 -2.257 1.00 0.00 C ATOM 851 C GLY A 53 4.918 3.322 -2.807 1.00 0.00 C ATOM 852 O GLY A 53 5.067 3.176 -4.019 1.00 0.00 O ATOM 0 H GLY A 53 4.218 5.835 -3.833 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.213 4.503 -1.177 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.025 4.233 -2.436 1.00 0.00 H new ATOM 856 N GLN A 54 5.454 2.507 -1.903 1.00 0.00 N ATOM 857 CA GLN A 54 6.271 1.363 -2.284 1.00 0.00 C ATOM 858 C GLN A 54 5.841 0.123 -1.503 1.00 0.00 C ATOM 859 O GLN A 54 6.000 0.066 -0.285 1.00 0.00 O ATOM 860 CB GLN A 54 7.753 1.655 -2.027 1.00 0.00 C ATOM 861 CG GLN A 54 8.172 3.066 -2.407 1.00 0.00 C ATOM 862 CD GLN A 54 9.587 3.128 -2.950 1.00 0.00 C ATOM 863 OE1 GLN A 54 10.422 3.885 -2.453 1.00 0.00 O ATOM 864 NE2 GLN A 54 9.864 2.330 -3.974 1.00 0.00 N ATOM 0 H GLN A 54 5.335 2.620 -0.896 1.00 0.00 H new ATOM 0 HA GLN A 54 6.130 1.177 -3.349 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.968 1.493 -0.971 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.357 0.942 -2.588 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.482 3.457 -3.155 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.094 3.712 -1.533 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.141 1.719 -4.354 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.799 2.328 -4.380 1.00 0.00 H new ATOM 873 N LEU A 55 5.298 -0.868 -2.206 1.00 0.00 N ATOM 874 CA LEU A 55 4.852 -2.097 -1.558 1.00 0.00 C ATOM 875 C LEU A 55 5.876 -3.207 -1.740 1.00 0.00 C ATOM 876 O LEU A 55 6.029 -3.754 -2.833 1.00 0.00 O ATOM 877 CB LEU A 55 3.497 -2.546 -2.114 1.00 0.00 C ATOM 878 CG LEU A 55 2.300 -2.347 -1.175 1.00 0.00 C ATOM 879 CD1 LEU A 55 1.057 -3.005 -1.752 1.00 0.00 C ATOM 880 CD2 LEU A 55 2.595 -2.908 0.210 1.00 0.00 C ATOM 0 H LEU A 55 5.157 -0.844 -3.216 1.00 0.00 H new ATOM 0 HA LEU A 55 4.744 -1.890 -0.493 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.305 -2.003 -3.039 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.562 -3.603 -2.373 1.00 0.00 H new ATOM 0 HG LEU A 55 2.120 -1.276 -1.080 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.217 -2.854 -1.073 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.826 -2.560 -2.720 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.235 -4.073 -1.877 1.00 0.00 H new ATOM 0 HD21 LEU A 55 1.731 -2.754 0.856 1.00 0.00 H new ATOM 0 HD22 LEU A 55 2.806 -3.975 0.133 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.460 -2.397 0.633 1.00 0.00 H new ATOM 892 N ILE A 56 6.573 -3.535 -0.661 1.00 0.00 N ATOM 893 CA ILE A 56 7.583 -4.579 -0.694 1.00 0.00 C ATOM 894 C ILE A 56 7.053 -5.875 -0.088 1.00 0.00 C ATOM 895 O ILE A 56 6.747 -5.933 1.102 1.00 0.00 O ATOM 896 CB ILE A 56 8.858 -4.146 0.060 1.00 0.00 C ATOM 897 CG1 ILE A 56 9.519 -2.961 -0.648 1.00 0.00 C ATOM 898 CG2 ILE A 56 9.833 -5.309 0.173 1.00 0.00 C ATOM 899 CD1 ILE A 56 8.924 -1.619 -0.277 1.00 0.00 C ATOM 0 H ILE A 56 6.456 -3.091 0.250 1.00 0.00 H new ATOM 0 HA ILE A 56 7.832 -4.751 -1.741 1.00 0.00 H new ATOM 0 HB ILE A 56 8.575 -3.836 1.066 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.583 -2.955 -0.410 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.434 -3.100 -1.726 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.726 -4.985 0.708 1.00 0.00 H new ATOM 0 HG22 ILE A 56 9.362 -6.127 0.717 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.111 -5.649 -0.825 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.444 -0.828 -0.818 1.00 0.00 H new ATOM 0 HD12 ILE A 56 7.866 -1.604 -0.541 1.00 0.00 H new ATOM 0 HD13 ILE A 56 9.033 -1.457 0.795 1.00 0.00 H new ATOM 911 N SER A 57 6.951 -6.915 -0.913 1.00 0.00 N ATOM 912 CA SER A 57 6.463 -8.207 -0.448 1.00 0.00 C ATOM 913 C SER A 57 7.586 -8.993 0.211 1.00 0.00 C ATOM 914 O SER A 57 8.602 -9.300 -0.414 1.00 0.00 O ATOM 915 CB SER A 57 5.862 -9.008 -1.606 1.00 0.00 C ATOM 916 OG SER A 57 6.725 -10.057 -2.008 1.00 0.00 O ATOM 0 H SER A 57 7.199 -6.887 -1.902 1.00 0.00 H new ATOM 0 HA SER A 57 5.681 -8.031 0.290 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.900 -9.421 -1.304 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.674 -8.345 -2.451 1.00 0.00 H new ATOM 0 HG SER A 57 6.282 -10.601 -2.693 1.00 0.00 H new ATOM 922 N ILE A 58 7.396 -9.303 1.483 1.00 0.00 N ATOM 923 CA ILE A 58 8.385 -10.042 2.251 1.00 0.00 C ATOM 924 C ILE A 58 7.898 -11.447 2.584 1.00 0.00 C ATOM 925 O ILE A 58 6.882 -11.626 3.263 1.00 0.00 O ATOM 926 CB ILE A 58 8.737 -9.310 3.562 1.00 0.00 C ATOM 927 CG1 ILE A 58 9.167 -7.871 3.268 1.00 0.00 C ATOM 928 CG2 ILE A 58 9.834 -10.053 4.310 1.00 0.00 C ATOM 929 CD1 ILE A 58 8.953 -6.928 4.433 1.00 0.00 C ATOM 0 H ILE A 58 6.559 -9.052 2.009 1.00 0.00 H new ATOM 0 HA ILE A 58 9.276 -10.112 1.627 1.00 0.00 H new ATOM 0 HB ILE A 58 7.849 -9.284 4.194 1.00 0.00 H new ATOM 0 HG12 ILE A 58 10.222 -7.864 2.994 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.611 -7.503 2.406 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.069 -9.522 5.232 1.00 0.00 H new ATOM 0 HG22 ILE A 58 9.494 -11.061 4.548 1.00 0.00 H new ATOM 0 HG23 ILE A 58 10.726 -10.109 3.686 1.00 0.00 H new ATOM 0 HD11 ILE A 58 9.279 -5.926 4.155 1.00 0.00 H new ATOM 0 HD12 ILE A 58 7.895 -6.906 4.693 1.00 0.00 H new ATOM 0 HD13 ILE A 58 9.531 -7.272 5.291 1.00 0.00 H new ATOM 941 N GLN A 59 8.639 -12.438 2.102 1.00 0.00 N ATOM 942 CA GLN A 59 8.320 -13.830 2.338 1.00 0.00 C ATOM 943 C GLN A 59 9.047 -14.330 3.580 1.00 0.00 C ATOM 944 O GLN A 59 9.714 -13.557 4.268 1.00 0.00 O ATOM 945 CB GLN A 59 8.724 -14.654 1.121 1.00 0.00 C ATOM 946 CG GLN A 59 7.572 -15.409 0.480 1.00 0.00 C ATOM 947 CD GLN A 59 6.791 -16.251 1.471 1.00 0.00 C ATOM 948 OE1 GLN A 59 5.886 -15.760 2.145 1.00 0.00 O ATOM 949 NE2 GLN A 59 7.136 -17.530 1.561 1.00 0.00 N ATOM 0 H GLN A 59 9.476 -12.293 1.538 1.00 0.00 H new ATOM 0 HA GLN A 59 7.247 -13.934 2.501 1.00 0.00 H new ATOM 0 HB2 GLN A 59 9.170 -13.993 0.378 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.494 -15.367 1.416 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.897 -14.697 0.006 1.00 0.00 H new ATOM 0 HG3 GLN A 59 7.961 -16.053 -0.309 1.00 0.00 H new ATOM 0 HE21 GLN A 59 7.893 -17.896 0.983 1.00 0.00 H new ATOM 0 HE22 GLN A 59 6.644 -18.147 2.208 1.00 0.00 H new ATOM 958 N GLN A 60 8.917 -15.619 3.868 1.00 0.00 N ATOM 959 CA GLN A 60 9.567 -16.207 5.033 1.00 0.00 C ATOM 960 C GLN A 60 11.087 -16.081 4.937 1.00 0.00 C ATOM 961 O GLN A 60 11.793 -16.218 5.937 1.00 0.00 O ATOM 962 CB GLN A 60 9.175 -17.679 5.178 1.00 0.00 C ATOM 963 CG GLN A 60 7.705 -17.945 4.900 1.00 0.00 C ATOM 964 CD GLN A 60 7.084 -18.893 5.907 1.00 0.00 C ATOM 965 OE1 GLN A 60 6.836 -18.523 7.055 1.00 0.00 O ATOM 966 NE2 GLN A 60 6.826 -20.125 5.481 1.00 0.00 N ATOM 0 H GLN A 60 8.369 -16.276 3.313 1.00 0.00 H new ATOM 0 HA GLN A 60 9.231 -15.660 5.914 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.780 -18.277 4.496 1.00 0.00 H new ATOM 0 HB3 GLN A 60 9.412 -18.012 6.189 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.160 -17.001 4.911 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.598 -18.363 3.899 1.00 0.00 H new ATOM 0 HE21 GLN A 60 7.048 -20.390 4.521 1.00 0.00 H new ATOM 0 HE22 GLN A 60 6.406 -20.806 6.114 1.00 0.00 H new ATOM 975 N TYR A 61 11.588 -15.819 3.730 1.00 0.00 N ATOM 976 CA TYR A 61 13.026 -15.679 3.516 1.00 0.00 C ATOM 977 C TYR A 61 13.426 -14.209 3.376 1.00 0.00 C ATOM 978 O TYR A 61 14.611 -13.887 3.283 1.00 0.00 O ATOM 979 CB TYR A 61 13.457 -16.469 2.274 1.00 0.00 C ATOM 980 CG TYR A 61 13.434 -15.663 0.993 1.00 0.00 C ATOM 981 CD1 TYR A 61 12.232 -15.261 0.421 1.00 0.00 C ATOM 982 CD2 TYR A 61 14.615 -15.300 0.356 1.00 0.00 C ATOM 983 CE1 TYR A 61 12.209 -14.521 -0.746 1.00 0.00 C ATOM 984 CE2 TYR A 61 14.600 -14.562 -0.811 1.00 0.00 C ATOM 985 CZ TYR A 61 13.395 -14.175 -1.358 1.00 0.00 C ATOM 986 OH TYR A 61 13.377 -13.437 -2.519 1.00 0.00 O ATOM 0 H TYR A 61 11.022 -15.700 2.890 1.00 0.00 H new ATOM 0 HA TYR A 61 13.537 -16.084 4.389 1.00 0.00 H new ATOM 0 HB2 TYR A 61 14.465 -16.853 2.432 1.00 0.00 H new ATOM 0 HB3 TYR A 61 12.802 -17.332 2.160 1.00 0.00 H new ATOM 0 HD1 TYR A 61 11.301 -15.532 0.897 1.00 0.00 H new ATOM 0 HD2 TYR A 61 15.561 -15.601 0.781 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.267 -14.215 -1.176 1.00 0.00 H new ATOM 0 HE2 TYR A 61 15.527 -14.289 -1.293 1.00 0.00 H new ATOM 0 HH TYR A 61 14.296 -13.278 -2.820 1.00 0.00 H new ATOM 996 N GLY A 62 12.434 -13.324 3.360 1.00 0.00 N ATOM 997 CA GLY A 62 12.708 -11.902 3.231 1.00 0.00 C ATOM 998 C GLY A 62 12.027 -11.282 2.025 1.00 0.00 C ATOM 999 O GLY A 62 11.338 -11.972 1.274 1.00 0.00 O ATOM 0 H GLY A 62 11.446 -13.565 3.434 1.00 0.00 H new ATOM 0 HA2 GLY A 62 12.377 -11.389 4.134 1.00 0.00 H new ATOM 0 HA3 GLY A 62 13.784 -11.749 3.154 1.00 0.00 H new ATOM 1003 N HIS A 63 12.224 -9.977 1.843 1.00 0.00 N ATOM 1004 CA HIS A 63 11.627 -9.250 0.723 1.00 0.00 C ATOM 1005 C HIS A 63 11.875 -9.976 -0.597 1.00 0.00 C ATOM 1006 O HIS A 63 12.808 -10.771 -0.711 1.00 0.00 O ATOM 1007 CB HIS A 63 12.194 -7.830 0.654 1.00 0.00 C ATOM 1008 CG HIS A 63 13.628 -7.773 0.221 1.00 0.00 C ATOM 1009 ND1 HIS A 63 14.496 -8.807 0.471 1.00 0.00 N ATOM 1010 CD2 HIS A 63 14.289 -6.790 -0.439 1.00 0.00 C ATOM 1011 CE1 HIS A 63 15.657 -8.437 -0.038 1.00 0.00 C ATOM 1012 NE2 HIS A 63 15.580 -7.221 -0.600 1.00 0.00 N ATOM 0 H HIS A 63 12.795 -9.399 2.460 1.00 0.00 H new ATOM 0 HA HIS A 63 10.551 -9.199 0.888 1.00 0.00 H new ATOM 0 HB2 HIS A 63 11.591 -7.241 -0.038 1.00 0.00 H new ATOM 0 HB3 HIS A 63 12.101 -7.363 1.635 1.00 0.00 H new ATOM 0 HD2 HIS A 63 13.878 -5.849 -0.773 1.00 0.00 H new ATOM 0 HE1 HIS A 63 16.554 -9.037 -0.006 1.00 0.00 H new ATOM 0 HE2 HIS A 63 16.337 -6.715 -1.059 1.00 0.00 H new ATOM 1020 N GLN A 64 11.036 -9.702 -1.594 1.00 0.00 N ATOM 1021 CA GLN A 64 11.179 -10.341 -2.896 1.00 0.00 C ATOM 1022 C GLN A 64 10.357 -9.634 -3.972 1.00 0.00 C ATOM 1023 O GLN A 64 10.395 -10.016 -5.142 1.00 0.00 O ATOM 1024 CB GLN A 64 10.760 -11.810 -2.809 1.00 0.00 C ATOM 1025 CG GLN A 64 9.396 -12.013 -2.172 1.00 0.00 C ATOM 1026 CD GLN A 64 8.669 -13.223 -2.724 1.00 0.00 C ATOM 1027 OE1 GLN A 64 7.794 -13.099 -3.581 1.00 0.00 O ATOM 1028 NE2 GLN A 64 9.030 -14.403 -2.234 1.00 0.00 N ATOM 0 H GLN A 64 10.257 -9.047 -1.525 1.00 0.00 H new ATOM 0 HA GLN A 64 12.229 -10.273 -3.180 1.00 0.00 H new ATOM 0 HB2 GLN A 64 10.751 -12.237 -3.812 1.00 0.00 H new ATOM 0 HB3 GLN A 64 11.506 -12.359 -2.235 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.516 -12.126 -1.094 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.788 -11.123 -2.334 1.00 0.00 H new ATOM 0 HE21 GLN A 64 9.761 -14.459 -1.524 1.00 0.00 H new ATOM 0 HE22 GLN A 64 8.577 -15.254 -2.567 1.00 0.00 H new ATOM 1037 N GLU A 65 9.611 -8.607 -3.576 1.00 0.00 N ATOM 1038 CA GLU A 65 8.781 -7.864 -4.520 1.00 0.00 C ATOM 1039 C GLU A 65 8.717 -6.385 -4.159 1.00 0.00 C ATOM 1040 O GLU A 65 8.499 -6.033 -3.005 1.00 0.00 O ATOM 1041 CB GLU A 65 7.367 -8.444 -4.542 1.00 0.00 C ATOM 1042 CG GLU A 65 6.793 -8.603 -5.942 1.00 0.00 C ATOM 1043 CD GLU A 65 5.316 -8.270 -6.008 1.00 0.00 C ATOM 1044 OE1 GLU A 65 4.981 -7.068 -6.077 1.00 0.00 O ATOM 1045 OE2 GLU A 65 4.494 -9.209 -5.989 1.00 0.00 O ATOM 0 H GLU A 65 9.564 -8.271 -2.614 1.00 0.00 H new ATOM 0 HA GLU A 65 9.234 -7.957 -5.507 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.375 -9.416 -4.050 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.710 -7.798 -3.961 1.00 0.00 H new ATOM 0 HG2 GLU A 65 7.338 -7.957 -6.630 1.00 0.00 H new ATOM 0 HG3 GLU A 65 6.946 -9.628 -6.279 1.00 0.00 H new ATOM 1052 N VAL A 66 8.895 -5.521 -5.155 1.00 0.00 N ATOM 1053 CA VAL A 66 8.839 -4.079 -4.934 1.00 0.00 C ATOM 1054 C VAL A 66 8.009 -3.393 -6.014 1.00 0.00 C ATOM 1055 O VAL A 66 8.173 -3.666 -7.204 1.00 0.00 O ATOM 1056 CB VAL A 66 10.245 -3.452 -4.892 1.00 0.00 C ATOM 1057 CG1 VAL A 66 10.153 -1.948 -4.671 1.00 0.00 C ATOM 1058 CG2 VAL A 66 11.086 -4.106 -3.807 1.00 0.00 C ATOM 0 H VAL A 66 9.079 -5.794 -6.121 1.00 0.00 H new ATOM 0 HA VAL A 66 8.365 -3.927 -3.964 1.00 0.00 H new ATOM 0 HB VAL A 66 10.730 -3.626 -5.852 1.00 0.00 H new ATOM 0 HG11 VAL A 66 11.156 -1.522 -4.644 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.588 -1.494 -5.485 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.649 -1.749 -3.725 1.00 0.00 H new ATOM 0 HG21 VAL A 66 12.077 -3.651 -3.791 1.00 0.00 H new ATOM 0 HG22 VAL A 66 10.606 -3.964 -2.839 1.00 0.00 H new ATOM 0 HG23 VAL A 66 11.180 -5.172 -4.012 1.00 0.00 H new ATOM 1068 N THR A 67 7.116 -2.502 -5.593 1.00 0.00 N ATOM 1069 CA THR A 67 6.258 -1.777 -6.525 1.00 0.00 C ATOM 1070 C THR A 67 6.148 -0.303 -6.140 1.00 0.00 C ATOM 1071 O THR A 67 5.999 0.029 -4.965 1.00 0.00 O ATOM 1072 CB THR A 67 4.847 -2.391 -6.578 1.00 0.00 C ATOM 1073 OG1 THR A 67 4.937 -3.819 -6.642 1.00 0.00 O ATOM 1074 CG2 THR A 67 4.075 -1.874 -7.782 1.00 0.00 C ATOM 0 H THR A 67 6.968 -2.265 -4.612 1.00 0.00 H new ATOM 0 HA THR A 67 6.719 -1.857 -7.510 1.00 0.00 H new ATOM 0 HB THR A 67 4.315 -2.099 -5.673 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.036 -4.202 -6.674 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.082 -2.322 -7.797 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.983 -0.790 -7.717 1.00 0.00 H new ATOM 0 HG23 THR A 67 4.607 -2.139 -8.696 1.00 0.00 H new ATOM 1082 N ARG A 68 6.222 0.574 -7.137 1.00 0.00 N ATOM 1083 CA ARG A 68 6.131 2.013 -6.903 1.00 0.00 C ATOM 1084 C ARG A 68 4.811 2.569 -7.434 1.00 0.00 C ATOM 1085 O ARG A 68 4.346 2.171 -8.503 1.00 0.00 O ATOM 1086 CB ARG A 68 7.308 2.730 -7.568 1.00 0.00 C ATOM 1087 CG ARG A 68 8.639 2.028 -7.354 1.00 0.00 C ATOM 1088 CD ARG A 68 9.502 2.064 -8.605 1.00 0.00 C ATOM 1089 NE ARG A 68 9.732 0.728 -9.149 1.00 0.00 N ATOM 1090 CZ ARG A 68 10.938 0.179 -9.278 1.00 0.00 C ATOM 1091 NH1 ARG A 68 12.021 0.849 -8.905 1.00 0.00 N ATOM 1092 NH2 ARG A 68 11.060 -1.043 -9.778 1.00 0.00 N ATOM 0 H ARG A 68 6.345 0.314 -8.116 1.00 0.00 H new ATOM 0 HA ARG A 68 6.168 2.187 -5.828 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.117 2.812 -8.638 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.374 3.745 -7.177 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.172 2.503 -6.530 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.462 0.992 -7.064 1.00 0.00 H new ATOM 0 HD2 ARG A 68 9.020 2.685 -9.360 1.00 0.00 H new ATOM 0 HD3 ARG A 68 10.459 2.530 -8.372 1.00 0.00 H new ATOM 0 HE ARG A 68 8.922 0.184 -9.447 1.00 0.00 H new ATOM 0 HH11 ARG A 68 11.931 1.788 -8.518 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.943 0.425 -9.006 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.230 -1.562 -10.064 1.00 0.00 H new ATOM 0 HH22 ARG A 68 11.984 -1.464 -9.877 1.00 0.00 H new ATOM 1106 N PHE A 69 4.206 3.485 -6.679 1.00 0.00 N ATOM 1107 CA PHE A 69 2.934 4.084 -7.078 1.00 0.00 C ATOM 1108 C PHE A 69 2.805 5.519 -6.616 1.00 0.00 C ATOM 1109 O PHE A 69 3.507 5.966 -5.708 1.00 0.00 O ATOM 1110 CB PHE A 69 1.739 3.263 -6.575 1.00 0.00 C ATOM 1111 CG PHE A 69 2.061 2.289 -5.478 1.00 0.00 C ATOM 1112 CD1 PHE A 69 2.558 1.028 -5.772 1.00 0.00 C ATOM 1113 CD2 PHE A 69 1.851 2.630 -4.152 1.00 0.00 C ATOM 1114 CE1 PHE A 69 2.843 0.129 -4.763 1.00 0.00 C ATOM 1115 CE2 PHE A 69 2.131 1.733 -3.139 1.00 0.00 C ATOM 1116 CZ PHE A 69 2.629 0.482 -3.445 1.00 0.00 C ATOM 0 H PHE A 69 4.574 3.827 -5.792 1.00 0.00 H new ATOM 0 HA PHE A 69 2.926 4.080 -8.168 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.970 3.948 -6.219 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.313 2.715 -7.415 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.724 0.746 -6.801 1.00 0.00 H new ATOM 0 HD2 PHE A 69 1.464 3.608 -3.907 1.00 0.00 H new ATOM 0 HE1 PHE A 69 3.233 -0.849 -5.004 1.00 0.00 H new ATOM 0 HE2 PHE A 69 1.961 2.010 -2.109 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.851 -0.220 -2.655 1.00 0.00 H new ATOM 1126 N ASP A 70 1.881 6.234 -7.248 1.00 0.00 N ATOM 1127 CA ASP A 70 1.627 7.619 -6.908 1.00 0.00 C ATOM 1128 C ASP A 70 0.549 7.642 -5.849 1.00 0.00 C ATOM 1129 O ASP A 70 -0.345 6.795 -5.835 1.00 0.00 O ATOM 1130 CB ASP A 70 1.194 8.422 -8.138 1.00 0.00 C ATOM 1131 CG ASP A 70 1.198 7.589 -9.405 1.00 0.00 C ATOM 1132 OD1 ASP A 70 0.227 6.835 -9.623 1.00 0.00 O ATOM 1133 OD2 ASP A 70 2.172 7.693 -10.180 1.00 0.00 O ATOM 0 H ASP A 70 1.296 5.871 -8.001 1.00 0.00 H new ATOM 0 HA ASP A 70 2.540 8.082 -6.533 1.00 0.00 H new ATOM 0 HB2 ASP A 70 0.194 8.822 -7.973 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.861 9.274 -8.265 1.00 0.00 H new ATOM 1138 N PHE A 71 0.707 8.539 -4.905 1.00 0.00 N ATOM 1139 CA PHE A 71 -0.170 8.594 -3.769 1.00 0.00 C ATOM 1140 C PHE A 71 -0.915 9.924 -3.621 1.00 0.00 C ATOM 1141 O PHE A 71 -0.350 10.999 -3.800 1.00 0.00 O ATOM 1142 CB PHE A 71 0.765 8.377 -2.610 1.00 0.00 C ATOM 1143 CG PHE A 71 0.244 7.552 -1.501 1.00 0.00 C ATOM 1144 CD1 PHE A 71 -0.617 8.085 -0.572 1.00 0.00 C ATOM 1145 CD2 PHE A 71 0.665 6.252 -1.373 1.00 0.00 C ATOM 1146 CE1 PHE A 71 -1.055 7.326 0.489 1.00 0.00 C ATOM 1147 CE2 PHE A 71 0.228 5.477 -0.323 1.00 0.00 C ATOM 1148 CZ PHE A 71 -0.633 6.020 0.612 1.00 0.00 C ATOM 0 H PHE A 71 1.443 9.245 -4.906 1.00 0.00 H new ATOM 0 HA PHE A 71 -0.970 7.858 -3.850 1.00 0.00 H new ATOM 0 HB2 PHE A 71 1.676 7.911 -2.986 1.00 0.00 H new ATOM 0 HB3 PHE A 71 1.048 9.351 -2.210 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -0.952 9.106 -0.675 1.00 0.00 H new ATOM 0 HD2 PHE A 71 1.344 5.834 -2.101 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -1.726 7.751 1.221 1.00 0.00 H new ATOM 0 HE2 PHE A 71 0.555 4.452 -0.230 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.976 5.419 1.441 1.00 0.00 H new ATOM 1158 N THR A 72 -2.193 9.813 -3.258 1.00 0.00 N ATOM 1159 CA THR A 72 -3.071 10.956 -3.033 1.00 0.00 C ATOM 1160 C THR A 72 -4.149 10.575 -2.020 1.00 0.00 C ATOM 1161 O THR A 72 -4.307 9.397 -1.700 1.00 0.00 O ATOM 1162 CB THR A 72 -3.738 11.450 -4.330 1.00 0.00 C ATOM 1163 OG1 THR A 72 -4.318 10.348 -5.038 1.00 0.00 O ATOM 1164 CG2 THR A 72 -2.728 12.158 -5.222 1.00 0.00 C ATOM 0 H THR A 72 -2.651 8.914 -3.111 1.00 0.00 H new ATOM 0 HA THR A 72 -2.456 11.771 -2.651 1.00 0.00 H new ATOM 0 HB THR A 72 -4.522 12.158 -4.060 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.741 10.673 -5.860 1.00 0.00 H new ATOM 0 HG21 THR A 72 -3.222 12.498 -6.132 1.00 0.00 H new ATOM 0 HG22 THR A 72 -2.313 13.015 -4.692 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.925 11.468 -5.481 1.00 0.00 H new