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 Single : A 11 HIS : no HD1:sc= -0.0374 X(o=-0.037,f=-0.31) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ -177:sc= -2.34! (180deg=-2.47!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc=-0.00192 K(o=-0.0019,f=-1.4) 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 HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 ASN : amide:sc= -6.5! C(o=-6.5!,f=-2.4!) 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+ 154:sc= -0.0029 (180deg=-0.152) 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= 0.00519 K(o=0.0052,f=-0.5) USER MOD Single : A 57 SER OG : rot 170:sc= -1.04 USER MOD Single : A 59 GLN : amide:sc= -4.35! C(o=-4.3!,f=-5.2!) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 61 TYR OH : rot 180:sc= 0 USER MOD Single : A 63 HIS : no HD1:sc= 0 X(o=0,f=-0.0052) USER MOD Single : A 64 GLN : amide:sc= -0.463 K(o=-0.46,f=-3.6!) 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 -0.732 -16.052 -1.295 1.00 0.00 N ATOM 143 CA HIS A 11 -0.439 -14.700 -0.835 1.00 0.00 C ATOM 144 C HIS A 11 0.973 -14.611 -0.260 1.00 0.00 C ATOM 145 O HIS A 11 1.734 -15.578 -0.304 1.00 0.00 O ATOM 146 CB HIS A 11 -1.460 -14.255 0.217 1.00 0.00 C ATOM 147 CG HIS A 11 -2.078 -15.387 0.980 1.00 0.00 C ATOM 148 ND1 HIS A 11 -1.306 -16.328 1.617 1.00 0.00 N ATOM 149 CD2 HIS A 11 -3.387 -15.681 1.175 1.00 0.00 C ATOM 150 CE1 HIS A 11 -2.155 -17.167 2.185 1.00 0.00 C ATOM 151 NE2 HIS A 11 -3.427 -16.816 1.944 1.00 0.00 N ATOM 0 HA HIS A 11 -0.505 -14.034 -1.695 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -0.972 -13.580 0.920 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -2.250 -13.687 -0.275 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -4.235 -15.128 0.798 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -1.862 -18.027 2.769 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -4.263 -17.300 2.270 1.00 0.00 H new ATOM 159 N ILE A 12 1.315 -13.442 0.272 1.00 0.00 N ATOM 160 CA ILE A 12 2.633 -13.216 0.853 1.00 0.00 C ATOM 161 C ILE A 12 2.577 -13.243 2.377 1.00 0.00 C ATOM 162 O ILE A 12 1.564 -12.878 2.974 1.00 0.00 O ATOM 163 CB ILE A 12 3.211 -11.858 0.398 1.00 0.00 C ATOM 164 CG1 ILE A 12 4.486 -11.518 1.177 1.00 0.00 C ATOM 165 CG2 ILE A 12 2.175 -10.760 0.577 1.00 0.00 C ATOM 166 CD1 ILE A 12 5.637 -11.094 0.294 1.00 0.00 C ATOM 0 H ILE A 12 0.694 -12.634 0.313 1.00 0.00 H new ATOM 0 HA ILE A 12 3.279 -14.022 0.504 1.00 0.00 H new ATOM 0 HB ILE A 12 3.468 -11.932 -0.659 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.268 -10.718 1.885 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.788 -12.387 1.761 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.594 -9.808 0.253 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.293 -10.991 -0.021 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.893 -10.693 1.628 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.506 -10.869 0.912 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.882 -11.901 -0.397 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.354 -10.206 -0.271 1.00 0.00 H new ATOM 178 N SER A 13 3.677 -13.664 3.001 1.00 0.00 N ATOM 179 CA SER A 13 3.756 -13.720 4.455 1.00 0.00 C ATOM 180 C SER A 13 3.370 -12.373 5.050 1.00 0.00 C ATOM 181 O SER A 13 2.566 -12.299 5.979 1.00 0.00 O ATOM 182 CB SER A 13 5.171 -14.096 4.901 1.00 0.00 C ATOM 183 OG SER A 13 5.187 -15.372 5.519 1.00 0.00 O ATOM 0 H SER A 13 4.523 -13.970 2.520 1.00 0.00 H new ATOM 0 HA SER A 13 3.062 -14.482 4.810 1.00 0.00 H new ATOM 0 HB2 SER A 13 5.839 -14.097 4.040 1.00 0.00 H new ATOM 0 HB3 SER A 13 5.548 -13.346 5.597 1.00 0.00 H new ATOM 0 HG SER A 13 6.102 -15.591 5.794 1.00 0.00 H new ATOM 189 N LYS A 14 3.940 -11.307 4.496 1.00 0.00 N ATOM 190 CA LYS A 14 3.644 -9.961 4.962 1.00 0.00 C ATOM 191 C LYS A 14 3.987 -8.921 3.899 1.00 0.00 C ATOM 192 O LYS A 14 4.968 -9.057 3.169 1.00 0.00 O ATOM 193 CB LYS A 14 4.415 -9.664 6.250 1.00 0.00 C ATOM 194 CG LYS A 14 5.855 -10.152 6.227 1.00 0.00 C ATOM 195 CD LYS A 14 6.708 -9.417 7.249 1.00 0.00 C ATOM 196 CE LYS A 14 7.139 -8.052 6.736 1.00 0.00 C ATOM 197 NZ LYS A 14 8.396 -7.587 7.384 1.00 0.00 N ATOM 0 H LYS A 14 4.607 -11.351 3.726 1.00 0.00 H new ATOM 0 HA LYS A 14 2.574 -9.904 5.163 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.408 -8.589 6.427 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.897 -10.129 7.089 1.00 0.00 H new ATOM 0 HG2 LYS A 14 5.881 -11.222 6.432 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.273 -10.008 5.231 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.146 -9.298 8.175 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.589 -10.013 7.485 1.00 0.00 H new ATOM 0 HE2 LYS A 14 7.283 -8.099 5.657 1.00 0.00 H new ATOM 0 HE3 LYS A 14 6.346 -7.328 6.921 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.629 -6.632 7.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.268 -7.567 8.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 9.171 -8.238 7.144 1.00 0.00 H new ATOM 211 N TYR A 15 3.166 -7.879 3.831 1.00 0.00 N ATOM 212 CA TYR A 15 3.358 -6.794 2.877 1.00 0.00 C ATOM 213 C TYR A 15 3.550 -5.477 3.620 1.00 0.00 C ATOM 214 O TYR A 15 2.781 -5.157 4.522 1.00 0.00 O ATOM 215 CB TYR A 15 2.139 -6.690 1.953 1.00 0.00 C ATOM 216 CG TYR A 15 2.462 -6.757 0.476 1.00 0.00 C ATOM 217 CD1 TYR A 15 3.508 -6.020 -0.067 1.00 0.00 C ATOM 218 CD2 TYR A 15 1.711 -7.555 -0.379 1.00 0.00 C ATOM 219 CE1 TYR A 15 3.795 -6.078 -1.418 1.00 0.00 C ATOM 220 CE2 TYR A 15 1.992 -7.617 -1.730 1.00 0.00 C ATOM 221 CZ TYR A 15 3.035 -6.878 -2.244 1.00 0.00 C ATOM 222 OH TYR A 15 3.316 -6.937 -3.589 1.00 0.00 O ATOM 0 H TYR A 15 2.351 -7.763 4.434 1.00 0.00 H new ATOM 0 HA TYR A 15 4.246 -7.002 2.279 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.445 -7.494 2.197 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.624 -5.751 2.157 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.106 -5.392 0.577 1.00 0.00 H new ATOM 0 HD2 TYR A 15 0.893 -8.137 0.020 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.611 -5.499 -1.824 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.397 -8.242 -2.380 1.00 0.00 H new ATOM 0 HH TYR A 15 2.688 -7.548 -4.028 1.00 0.00 H new ATOM 232 N ILE A 16 4.567 -4.710 3.244 1.00 0.00 N ATOM 233 CA ILE A 16 4.823 -3.431 3.898 1.00 0.00 C ATOM 234 C ILE A 16 4.609 -2.276 2.937 1.00 0.00 C ATOM 235 O ILE A 16 5.100 -2.287 1.809 1.00 0.00 O ATOM 236 CB ILE A 16 6.254 -3.334 4.471 1.00 0.00 C ATOM 237 CG1 ILE A 16 6.392 -4.216 5.717 1.00 0.00 C ATOM 238 CG2 ILE A 16 6.604 -1.879 4.796 1.00 0.00 C ATOM 239 CD1 ILE A 16 5.545 -3.760 6.887 1.00 0.00 C ATOM 0 H ILE A 16 5.221 -4.947 2.498 1.00 0.00 H new ATOM 0 HA ILE A 16 4.114 -3.370 4.724 1.00 0.00 H new ATOM 0 HB ILE A 16 6.955 -3.693 3.717 1.00 0.00 H new ATOM 0 HG12 ILE A 16 6.117 -5.239 5.459 1.00 0.00 H new ATOM 0 HG13 ILE A 16 7.438 -4.235 6.023 1.00 0.00 H new ATOM 0 HG21 ILE A 16 7.616 -1.829 5.199 1.00 0.00 H new ATOM 0 HG22 ILE A 16 6.545 -1.279 3.888 1.00 0.00 H new ATOM 0 HG23 ILE A 16 5.901 -1.492 5.533 1.00 0.00 H new ATOM 0 HD11 ILE A 16 5.697 -4.434 7.730 1.00 0.00 H new ATOM 0 HD12 ILE A 16 5.834 -2.749 7.174 1.00 0.00 H new ATOM 0 HD13 ILE A 16 4.493 -3.769 6.600 1.00 0.00 H new ATOM 251 N LEU A 17 3.887 -1.271 3.405 1.00 0.00 N ATOM 252 CA LEU A 17 3.617 -0.092 2.607 1.00 0.00 C ATOM 253 C LEU A 17 4.385 1.096 3.160 1.00 0.00 C ATOM 254 O LEU A 17 4.123 1.549 4.273 1.00 0.00 O ATOM 255 CB LEU A 17 2.122 0.214 2.608 1.00 0.00 C ATOM 256 CG LEU A 17 1.589 0.831 1.314 1.00 0.00 C ATOM 257 CD1 LEU A 17 0.730 -0.171 0.557 1.00 0.00 C ATOM 258 CD2 LEU A 17 0.797 2.096 1.613 1.00 0.00 C ATOM 0 H LEU A 17 3.477 -1.251 4.339 1.00 0.00 H new ATOM 0 HA LEU A 17 3.939 -0.281 1.583 1.00 0.00 H new ATOM 0 HB2 LEU A 17 1.577 -0.710 2.804 1.00 0.00 H new ATOM 0 HB3 LEU A 17 1.906 0.893 3.433 1.00 0.00 H new ATOM 0 HG LEU A 17 2.439 1.097 0.685 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.360 0.287 -0.361 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.327 -1.049 0.310 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -0.114 -0.470 1.179 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.425 2.521 0.681 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -0.044 1.854 2.262 1.00 0.00 H new ATOM 0 HD23 LEU A 17 1.442 2.820 2.111 1.00 0.00 H new ATOM 270 N ARG A 18 5.332 1.600 2.383 1.00 0.00 N ATOM 271 CA ARG A 18 6.128 2.738 2.810 1.00 0.00 C ATOM 272 C ARG A 18 5.881 3.931 1.906 1.00 0.00 C ATOM 273 O ARG A 18 5.965 3.819 0.689 1.00 0.00 O ATOM 274 CB ARG A 18 7.615 2.377 2.812 1.00 0.00 C ATOM 275 CG ARG A 18 8.085 1.762 4.121 1.00 0.00 C ATOM 276 CD ARG A 18 9.083 0.640 3.881 1.00 0.00 C ATOM 277 NE ARG A 18 9.724 0.206 5.119 1.00 0.00 N ATOM 278 CZ ARG A 18 10.338 -0.965 5.261 1.00 0.00 C ATOM 279 NH1 ARG A 18 10.379 -1.822 4.248 1.00 0.00 N ATOM 280 NH2 ARG A 18 10.907 -1.284 6.415 1.00 0.00 N ATOM 0 H ARG A 18 5.566 1.240 1.458 1.00 0.00 H new ATOM 0 HA ARG A 18 5.830 3.004 3.824 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.813 1.678 1.999 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.200 3.275 2.610 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.543 2.532 4.742 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.227 1.376 4.672 1.00 0.00 H new ATOM 0 HD2 ARG A 18 8.574 -0.206 3.420 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.844 0.976 3.177 1.00 0.00 H new ATOM 0 HE ARG A 18 9.699 0.837 5.920 1.00 0.00 H new ATOM 0 HH11 ARG A 18 9.939 -1.583 3.359 1.00 0.00 H new ATOM 0 HH12 ARG A 18 10.850 -2.720 4.358 1.00 0.00 H new ATOM 0 HH21 ARG A 18 10.875 -0.630 7.197 1.00 0.00 H new ATOM 0 HH22 ARG A 18 11.377 -2.183 6.521 1.00 0.00 H new ATOM 294 N TRP A 19 5.575 5.075 2.500 1.00 0.00 N ATOM 295 CA TRP A 19 5.318 6.273 1.717 1.00 0.00 C ATOM 296 C TRP A 19 5.640 7.543 2.494 1.00 0.00 C ATOM 297 O TRP A 19 5.710 7.544 3.725 1.00 0.00 O ATOM 298 CB TRP A 19 3.864 6.302 1.237 1.00 0.00 C ATOM 299 CG TRP A 19 2.872 6.607 2.317 1.00 0.00 C ATOM 300 CD1 TRP A 19 2.257 7.804 2.549 1.00 0.00 C ATOM 301 CD2 TRP A 19 2.373 5.699 3.306 1.00 0.00 C ATOM 302 NE1 TRP A 19 1.407 7.696 3.624 1.00 0.00 N ATOM 303 CE2 TRP A 19 1.461 6.415 4.105 1.00 0.00 C ATOM 304 CE3 TRP A 19 2.610 4.353 3.594 1.00 0.00 C ATOM 305 CZ2 TRP A 19 0.785 5.826 5.171 1.00 0.00 C ATOM 306 CZ3 TRP A 19 1.937 3.770 4.652 1.00 0.00 C ATOM 307 CH2 TRP A 19 1.035 4.507 5.430 1.00 0.00 C ATOM 0 H TRP A 19 5.499 5.198 3.510 1.00 0.00 H new ATOM 0 HA TRP A 19 5.979 6.239 0.851 1.00 0.00 H new ATOM 0 HB2 TRP A 19 3.767 7.048 0.448 1.00 0.00 H new ATOM 0 HB3 TRP A 19 3.619 5.336 0.795 1.00 0.00 H new ATOM 0 HD1 TRP A 19 2.415 8.703 1.973 1.00 0.00 H new ATOM 0 HE1 TRP A 19 0.830 8.448 4.002 1.00 0.00 H new ATOM 0 HE3 TRP A 19 3.306 3.778 3.001 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 0.088 6.391 5.772 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 2.110 2.729 4.882 1.00 0.00 H new ATOM 0 HH2 TRP A 19 0.527 4.024 6.251 1.00 0.00 H new ATOM 318 N ARG A 20 5.830 8.618 1.737 1.00 0.00 N ATOM 319 CA ARG A 20 6.140 9.931 2.277 1.00 0.00 C ATOM 320 C ARG A 20 5.792 10.992 1.235 1.00 0.00 C ATOM 321 O ARG A 20 5.673 10.680 0.051 1.00 0.00 O ATOM 322 CB ARG A 20 7.621 10.019 2.653 1.00 0.00 C ATOM 323 CG ARG A 20 8.562 9.800 1.479 1.00 0.00 C ATOM 324 CD ARG A 20 9.188 11.106 1.015 1.00 0.00 C ATOM 325 NE ARG A 20 10.532 10.908 0.476 1.00 0.00 N ATOM 326 CZ ARG A 20 11.057 11.654 -0.492 1.00 0.00 C ATOM 327 NH1 ARG A 20 10.353 12.643 -1.028 1.00 0.00 N ATOM 328 NH2 ARG A 20 12.287 11.411 -0.926 1.00 0.00 N ATOM 0 H ARG A 20 5.772 8.599 0.719 1.00 0.00 H new ATOM 0 HA ARG A 20 5.552 10.100 3.179 1.00 0.00 H new ATOM 0 HB2 ARG A 20 7.819 10.998 3.088 1.00 0.00 H new ATOM 0 HB3 ARG A 20 7.836 9.278 3.423 1.00 0.00 H new ATOM 0 HG2 ARG A 20 9.347 9.101 1.766 1.00 0.00 H new ATOM 0 HG3 ARG A 20 8.016 9.344 0.654 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.555 11.561 0.253 1.00 0.00 H new ATOM 0 HD3 ARG A 20 9.232 11.804 1.851 1.00 0.00 H new ATOM 0 HE ARG A 20 11.100 10.155 0.864 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.407 12.833 -0.698 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.758 13.213 -1.770 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.831 10.651 -0.517 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.688 11.984 -1.668 1.00 0.00 H new ATOM 342 N PRO A 21 5.610 12.258 1.645 1.00 0.00 N ATOM 343 CA PRO A 21 5.259 13.340 0.715 1.00 0.00 C ATOM 344 C PRO A 21 6.286 13.505 -0.399 1.00 0.00 C ATOM 345 O PRO A 21 7.449 13.817 -0.148 1.00 0.00 O ATOM 346 CB PRO A 21 5.230 14.580 1.610 1.00 0.00 C ATOM 347 CG PRO A 21 4.962 14.040 2.971 1.00 0.00 C ATOM 348 CD PRO A 21 5.707 12.741 3.033 1.00 0.00 C ATOM 0 HA PRO A 21 4.317 13.148 0.202 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.177 15.119 1.575 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.453 15.278 1.298 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.307 14.729 3.743 1.00 0.00 H new ATOM 0 HG3 PRO A 21 3.894 13.890 3.132 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.742 12.880 3.344 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.253 12.045 3.739 1.00 0.00 H new ATOM 356 N LYS A 22 5.839 13.290 -1.634 1.00 0.00 N ATOM 357 CA LYS A 22 6.707 13.409 -2.800 1.00 0.00 C ATOM 358 C LYS A 22 7.275 14.820 -2.917 1.00 0.00 C ATOM 359 O LYS A 22 8.438 15.003 -3.279 1.00 0.00 O ATOM 360 CB LYS A 22 5.932 13.054 -4.071 1.00 0.00 C ATOM 361 CG LYS A 22 6.815 12.892 -5.298 1.00 0.00 C ATOM 362 CD LYS A 22 5.990 12.853 -6.574 1.00 0.00 C ATOM 363 CE LYS A 22 6.282 11.603 -7.389 1.00 0.00 C ATOM 364 NZ LYS A 22 7.519 11.747 -8.204 1.00 0.00 N ATOM 0 H LYS A 22 4.877 13.032 -1.852 1.00 0.00 H new ATOM 0 HA LYS A 22 7.537 12.713 -2.677 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.383 12.127 -3.904 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.194 13.832 -4.265 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.526 13.717 -5.348 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.397 11.974 -5.211 1.00 0.00 H new ATOM 0 HD2 LYS A 22 4.930 12.886 -6.324 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.204 13.738 -7.174 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.386 10.749 -6.719 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.438 11.392 -8.045 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.682 10.874 -8.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.411 12.546 -8.861 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.330 11.923 -7.577 1.00 0.00 H new ATOM 378 N ASN A 23 6.447 15.812 -2.610 1.00 0.00 N ATOM 379 CA ASN A 23 6.866 17.208 -2.683 1.00 0.00 C ATOM 380 C ASN A 23 7.843 17.544 -1.562 1.00 0.00 C ATOM 381 O ASN A 23 8.677 18.439 -1.701 1.00 0.00 O ATOM 382 CB ASN A 23 5.648 18.129 -2.607 1.00 0.00 C ATOM 383 CG ASN A 23 4.858 18.151 -3.901 1.00 0.00 C ATOM 384 OD1 ASN A 23 4.825 17.164 -4.638 1.00 0.00 O ATOM 385 ND2 ASN A 23 4.218 19.278 -4.185 1.00 0.00 N ATOM 0 H ASN A 23 5.482 15.676 -2.308 1.00 0.00 H new ATOM 0 HA ASN A 23 7.372 17.361 -3.636 1.00 0.00 H new ATOM 0 HB2 ASN A 23 4.999 17.803 -1.794 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.975 19.141 -2.367 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.671 19.352 -5.043 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.273 20.071 -3.546 1.00 0.00 H new ATOM 392 N SER A 24 7.738 16.818 -0.453 1.00 0.00 N ATOM 393 CA SER A 24 8.614 17.037 0.692 1.00 0.00 C ATOM 394 C SER A 24 9.781 16.054 0.676 1.00 0.00 C ATOM 395 O SER A 24 10.049 15.416 -0.342 1.00 0.00 O ATOM 396 CB SER A 24 7.828 16.898 1.996 1.00 0.00 C ATOM 397 OG SER A 24 8.178 17.917 2.916 1.00 0.00 O ATOM 0 H SER A 24 7.054 16.072 -0.323 1.00 0.00 H new ATOM 0 HA SER A 24 9.014 18.049 0.627 1.00 0.00 H new ATOM 0 HB2 SER A 24 6.759 16.945 1.786 1.00 0.00 H new ATOM 0 HB3 SER A 24 8.023 15.921 2.439 1.00 0.00 H new ATOM 0 HG SER A 24 7.660 17.806 3.740 1.00 0.00 H new ATOM 403 N VAL A 25 10.471 15.938 1.807 1.00 0.00 N ATOM 404 CA VAL A 25 11.607 15.031 1.916 1.00 0.00 C ATOM 405 C VAL A 25 11.740 14.469 3.328 1.00 0.00 C ATOM 406 O VAL A 25 12.015 15.204 4.278 1.00 0.00 O ATOM 407 CB VAL A 25 12.926 15.731 1.532 1.00 0.00 C ATOM 408 CG1 VAL A 25 13.112 15.729 0.022 1.00 0.00 C ATOM 409 CG2 VAL A 25 12.959 17.151 2.078 1.00 0.00 C ATOM 0 H VAL A 25 10.263 16.460 2.658 1.00 0.00 H new ATOM 0 HA VAL A 25 11.418 14.213 1.221 1.00 0.00 H new ATOM 0 HB VAL A 25 13.752 15.177 1.978 1.00 0.00 H new ATOM 0 HG11 VAL A 25 14.048 16.227 -0.230 1.00 0.00 H new ATOM 0 HG12 VAL A 25 13.139 14.701 -0.340 1.00 0.00 H new ATOM 0 HG13 VAL A 25 12.282 16.257 -0.448 1.00 0.00 H new ATOM 0 HG21 VAL A 25 13.898 17.627 1.796 1.00 0.00 H new ATOM 0 HG22 VAL A 25 12.125 17.719 1.665 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.877 17.125 3.165 1.00 0.00 H new ATOM 419 N GLY A 26 11.548 13.159 3.457 1.00 0.00 N ATOM 420 CA GLY A 26 11.656 12.515 4.754 1.00 0.00 C ATOM 421 C GLY A 26 10.307 12.167 5.352 1.00 0.00 C ATOM 422 O GLY A 26 9.266 12.423 4.746 1.00 0.00 O ATOM 0 H GLY A 26 11.319 12.532 2.686 1.00 0.00 H new ATOM 0 HA2 GLY A 26 12.250 11.606 4.655 1.00 0.00 H new ATOM 0 HA3 GLY A 26 12.192 13.173 5.438 1.00 0.00 H new ATOM 426 N ARG A 27 10.331 11.579 6.547 1.00 0.00 N ATOM 427 CA ARG A 27 9.109 11.189 7.245 1.00 0.00 C ATOM 428 C ARG A 27 8.308 10.178 6.430 1.00 0.00 C ATOM 429 O ARG A 27 7.437 10.548 5.644 1.00 0.00 O ATOM 430 CB ARG A 27 8.249 12.418 7.543 1.00 0.00 C ATOM 431 CG ARG A 27 8.855 13.341 8.587 1.00 0.00 C ATOM 432 CD ARG A 27 7.780 14.011 9.427 1.00 0.00 C ATOM 433 NE ARG A 27 8.348 14.904 10.433 1.00 0.00 N ATOM 434 CZ ARG A 27 8.350 16.229 10.325 1.00 0.00 C ATOM 435 NH1 ARG A 27 7.809 16.813 9.263 1.00 0.00 N ATOM 436 NH2 ARG A 27 8.890 16.974 11.280 1.00 0.00 N ATOM 0 H ARG A 27 11.189 11.362 7.054 1.00 0.00 H new ATOM 0 HA ARG A 27 9.397 10.719 8.185 1.00 0.00 H new ATOM 0 HB2 ARG A 27 8.096 12.977 6.620 1.00 0.00 H new ATOM 0 HB3 ARG A 27 7.267 12.091 7.885 1.00 0.00 H new ATOM 0 HG2 ARG A 27 9.522 12.772 9.234 1.00 0.00 H new ATOM 0 HG3 ARG A 27 9.461 14.102 8.094 1.00 0.00 H new ATOM 0 HD2 ARG A 27 7.112 14.576 8.777 1.00 0.00 H new ATOM 0 HD3 ARG A 27 7.177 13.248 9.919 1.00 0.00 H new ATOM 0 HE ARG A 27 8.767 14.488 11.265 1.00 0.00 H new ATOM 0 HH11 ARG A 27 7.390 16.245 8.527 1.00 0.00 H new ATOM 0 HH12 ARG A 27 7.812 17.830 9.183 1.00 0.00 H new ATOM 0 HH21 ARG A 27 9.305 16.531 12.099 1.00 0.00 H new ATOM 0 HH22 ARG A 27 8.890 17.990 11.195 1.00 0.00 H new ATOM 450 N TRP A 28 8.608 8.900 6.632 1.00 0.00 N ATOM 451 CA TRP A 28 7.918 7.828 5.923 1.00 0.00 C ATOM 452 C TRP A 28 6.861 7.184 6.815 1.00 0.00 C ATOM 453 O TRP A 28 6.643 7.619 7.947 1.00 0.00 O ATOM 454 CB TRP A 28 8.917 6.768 5.454 1.00 0.00 C ATOM 455 CG TRP A 28 9.974 7.303 4.537 1.00 0.00 C ATOM 456 CD1 TRP A 28 11.010 8.127 4.869 1.00 0.00 C ATOM 457 CD2 TRP A 28 10.097 7.050 3.132 1.00 0.00 C ATOM 458 NE1 TRP A 28 11.770 8.403 3.757 1.00 0.00 N ATOM 459 CE2 TRP A 28 11.229 7.754 2.679 1.00 0.00 C ATOM 460 CE3 TRP A 28 9.359 6.298 2.214 1.00 0.00 C ATOM 461 CZ2 TRP A 28 11.641 7.725 1.349 1.00 0.00 C ATOM 462 CZ3 TRP A 28 9.769 6.269 0.893 1.00 0.00 C ATOM 463 CH2 TRP A 28 10.901 6.980 0.472 1.00 0.00 C ATOM 0 H TRP A 28 9.326 8.580 7.282 1.00 0.00 H new ATOM 0 HA TRP A 28 7.425 8.261 5.053 1.00 0.00 H new ATOM 0 HB2 TRP A 28 9.396 6.322 6.325 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.376 5.971 4.945 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.205 8.507 5.861 1.00 0.00 H new ATOM 0 HE1 TRP A 28 12.601 8.994 3.738 1.00 0.00 H new ATOM 0 HE3 TRP A 28 8.484 5.749 2.530 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 12.513 8.271 1.022 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 9.208 5.689 0.175 1.00 0.00 H new ATOM 0 HH2 TRP A 28 11.195 6.939 -0.566 1.00 0.00 H new ATOM 474 N LYS A 29 6.212 6.144 6.303 1.00 0.00 N ATOM 475 CA LYS A 29 5.184 5.439 7.058 1.00 0.00 C ATOM 476 C LYS A 29 5.121 3.986 6.617 1.00 0.00 C ATOM 477 O LYS A 29 5.379 3.680 5.457 1.00 0.00 O ATOM 478 CB LYS A 29 3.824 6.111 6.866 1.00 0.00 C ATOM 479 CG LYS A 29 2.888 5.932 8.049 1.00 0.00 C ATOM 480 CD LYS A 29 2.266 7.254 8.469 1.00 0.00 C ATOM 481 CE LYS A 29 1.604 7.149 9.834 1.00 0.00 C ATOM 482 NZ LYS A 29 1.872 8.348 10.673 1.00 0.00 N ATOM 0 H LYS A 29 6.380 5.771 5.369 1.00 0.00 H new ATOM 0 HA LYS A 29 5.440 5.476 8.117 1.00 0.00 H new ATOM 0 HB2 LYS A 29 3.975 7.176 6.690 1.00 0.00 H new ATOM 0 HB3 LYS A 29 3.350 5.705 5.973 1.00 0.00 H new ATOM 0 HG2 LYS A 29 2.101 5.224 7.788 1.00 0.00 H new ATOM 0 HG3 LYS A 29 3.437 5.504 8.888 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.034 8.027 8.494 1.00 0.00 H new ATOM 0 HD3 LYS A 29 1.528 7.562 7.728 1.00 0.00 H new ATOM 0 HE2 LYS A 29 0.528 7.027 9.708 1.00 0.00 H new ATOM 0 HE3 LYS A 29 1.968 6.258 10.347 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 1.404 8.238 11.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.897 8.450 10.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 1.502 9.195 10.196 1.00 0.00 H new ATOM 496 N GLU A 30 4.791 3.092 7.543 1.00 0.00 N ATOM 497 CA GLU A 30 4.719 1.670 7.224 1.00 0.00 C ATOM 498 C GLU A 30 3.328 1.103 7.480 1.00 0.00 C ATOM 499 O GLU A 30 2.688 1.417 8.483 1.00 0.00 O ATOM 500 CB GLU A 30 5.750 0.886 8.041 1.00 0.00 C ATOM 501 CG GLU A 30 6.899 1.734 8.562 1.00 0.00 C ATOM 502 CD GLU A 30 7.156 1.521 10.041 1.00 0.00 C ATOM 503 OE1 GLU A 30 6.467 0.674 10.649 1.00 0.00 O ATOM 504 OE2 GLU A 30 8.046 2.201 10.594 1.00 0.00 O ATOM 0 H GLU A 30 4.571 3.323 8.512 1.00 0.00 H new ATOM 0 HA GLU A 30 4.939 1.565 6.161 1.00 0.00 H new ATOM 0 HB2 GLU A 30 5.247 0.415 8.886 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.154 0.084 7.423 1.00 0.00 H new ATOM 0 HG2 GLU A 30 7.804 1.497 8.002 1.00 0.00 H new ATOM 0 HG3 GLU A 30 6.679 2.787 8.383 1.00 0.00 H new ATOM 511 N ALA A 31 2.877 0.252 6.563 1.00 0.00 N ATOM 512 CA ALA A 31 1.573 -0.388 6.674 1.00 0.00 C ATOM 513 C ALA A 31 1.671 -1.857 6.283 1.00 0.00 C ATOM 514 O ALA A 31 1.913 -2.183 5.120 1.00 0.00 O ATOM 515 CB ALA A 31 0.551 0.328 5.805 1.00 0.00 C ATOM 0 H ALA A 31 3.402 -0.011 5.729 1.00 0.00 H new ATOM 0 HA ALA A 31 1.243 -0.326 7.711 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -0.417 -0.164 5.901 1.00 0.00 H new ATOM 0 HB2 ALA A 31 0.464 1.366 6.126 1.00 0.00 H new ATOM 0 HB3 ALA A 31 0.873 0.296 4.764 1.00 0.00 H new ATOM 521 N THR A 32 1.497 -2.740 7.259 1.00 0.00 N ATOM 522 CA THR A 32 1.585 -4.174 7.013 1.00 0.00 C ATOM 523 C THR A 32 0.237 -4.766 6.620 1.00 0.00 C ATOM 524 O THR A 32 -0.795 -4.438 7.205 1.00 0.00 O ATOM 525 CB THR A 32 2.121 -4.932 8.240 1.00 0.00 C ATOM 526 OG1 THR A 32 3.095 -4.136 8.925 1.00 0.00 O ATOM 527 CG2 THR A 32 2.741 -6.261 7.823 1.00 0.00 C ATOM 0 H THR A 32 1.294 -2.489 8.227 1.00 0.00 H new ATOM 0 HA THR A 32 2.283 -4.294 6.184 1.00 0.00 H new ATOM 0 HB THR A 32 1.285 -5.132 8.911 1.00 0.00 H new ATOM 0 HG1 THR A 32 3.428 -4.627 9.705 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.114 -6.781 8.705 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.987 -6.876 7.331 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.566 -6.078 7.134 1.00 0.00 H new ATOM 535 N ILE A 33 0.263 -5.650 5.629 1.00 0.00 N ATOM 536 CA ILE A 33 -0.943 -6.312 5.150 1.00 0.00 C ATOM 537 C ILE A 33 -0.667 -7.792 4.886 1.00 0.00 C ATOM 538 O ILE A 33 0.054 -8.138 3.949 1.00 0.00 O ATOM 539 CB ILE A 33 -1.486 -5.658 3.860 1.00 0.00 C ATOM 540 CG1 ILE A 33 -0.720 -4.370 3.541 1.00 0.00 C ATOM 541 CG2 ILE A 33 -2.973 -5.373 4.002 1.00 0.00 C ATOM 542 CD1 ILE A 33 -1.039 -3.793 2.178 1.00 0.00 C ATOM 0 H ILE A 33 1.114 -5.926 5.139 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.698 -6.208 5.930 1.00 0.00 H new ATOM 0 HB ILE A 33 -1.341 -6.353 3.033 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -0.947 -3.625 4.303 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.350 -4.570 3.600 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.344 -4.912 3.087 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -3.507 -6.306 4.181 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.135 -4.696 4.841 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.459 -2.883 2.023 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.785 -4.520 1.407 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -2.102 -3.560 2.121 1.00 0.00 H new ATOM 554 N PRO A 34 -1.225 -8.689 5.722 1.00 0.00 N ATOM 555 CA PRO A 34 -1.022 -10.136 5.580 1.00 0.00 C ATOM 556 C PRO A 34 -1.739 -10.717 4.366 1.00 0.00 C ATOM 557 O PRO A 34 -2.873 -11.185 4.469 1.00 0.00 O ATOM 558 CB PRO A 34 -1.611 -10.703 6.874 1.00 0.00 C ATOM 559 CG PRO A 34 -2.629 -9.702 7.294 1.00 0.00 C ATOM 560 CD PRO A 34 -2.087 -8.363 6.876 1.00 0.00 C ATOM 0 HA PRO A 34 0.028 -10.384 5.426 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.062 -11.681 6.709 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.843 -10.831 7.637 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -3.590 -9.900 6.820 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -2.792 -9.739 8.371 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.886 -7.675 6.599 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.522 -7.890 7.679 1.00 0.00 H new ATOM 568 N GLY A 35 -1.066 -10.690 3.218 1.00 0.00 N ATOM 569 CA GLY A 35 -1.648 -11.222 1.999 1.00 0.00 C ATOM 570 C GLY A 35 -3.016 -10.641 1.705 1.00 0.00 C ATOM 571 O GLY A 35 -3.916 -11.352 1.256 1.00 0.00 O ATOM 0 H GLY A 35 -0.126 -10.308 3.111 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.982 -11.014 1.162 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.728 -12.306 2.082 1.00 0.00 H new ATOM 575 N HIS A 36 -3.172 -9.346 1.962 1.00 0.00 N ATOM 576 CA HIS A 36 -4.436 -8.659 1.726 1.00 0.00 C ATOM 577 C HIS A 36 -5.565 -9.298 2.530 1.00 0.00 C ATOM 578 O HIS A 36 -6.300 -10.148 2.026 1.00 0.00 O ATOM 579 CB HIS A 36 -4.780 -8.665 0.236 1.00 0.00 C ATOM 580 CG HIS A 36 -4.620 -7.328 -0.419 1.00 0.00 C ATOM 581 ND1 HIS A 36 -3.401 -6.696 -0.468 1.00 0.00 N ATOM 582 CD2 HIS A 36 -5.548 -6.548 -1.028 1.00 0.00 C ATOM 583 CE1 HIS A 36 -3.610 -5.555 -1.100 1.00 0.00 C ATOM 584 NE2 HIS A 36 -4.896 -5.421 -1.458 1.00 0.00 N ATOM 0 H HIS A 36 -2.434 -8.749 2.336 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.323 -7.626 2.056 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.143 -9.389 -0.273 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.809 -9.002 0.110 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -6.597 -6.772 -1.150 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -2.843 -4.823 -1.303 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -5.309 -4.632 -1.955 1.00 0.00 H new ATOM 592 N LEU A 37 -5.696 -8.876 3.783 1.00 0.00 N ATOM 593 CA LEU A 37 -6.739 -9.396 4.664 1.00 0.00 C ATOM 594 C LEU A 37 -8.113 -8.920 4.202 1.00 0.00 C ATOM 595 O LEU A 37 -9.107 -9.635 4.336 1.00 0.00 O ATOM 596 CB LEU A 37 -6.504 -8.967 6.124 1.00 0.00 C ATOM 597 CG LEU A 37 -5.509 -7.817 6.347 1.00 0.00 C ATOM 598 CD1 LEU A 37 -5.934 -6.567 5.590 1.00 0.00 C ATOM 599 CD2 LEU A 37 -5.379 -7.509 7.829 1.00 0.00 C ATOM 0 H LEU A 37 -5.093 -8.175 4.213 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.700 -10.484 4.615 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.463 -8.677 6.553 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.154 -9.835 6.683 1.00 0.00 H new ATOM 0 HG LEU A 37 -4.540 -8.135 5.963 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -5.211 -5.771 5.767 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.979 -6.785 4.523 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.917 -6.248 5.937 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -4.671 -6.692 7.970 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -6.351 -7.219 8.227 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.021 -8.394 8.355 1.00 0.00 H new ATOM 611 N ASN A 38 -8.148 -7.709 3.657 1.00 0.00 N ATOM 612 CA ASN A 38 -9.382 -7.105 3.160 1.00 0.00 C ATOM 613 C ASN A 38 -9.096 -5.695 2.651 1.00 0.00 C ATOM 614 O ASN A 38 -7.964 -5.386 2.276 1.00 0.00 O ATOM 615 CB ASN A 38 -10.452 -7.069 4.260 1.00 0.00 C ATOM 616 CG ASN A 38 -10.230 -5.952 5.264 1.00 0.00 C ATOM 617 OD1 ASN A 38 -11.174 -5.277 5.677 1.00 0.00 O ATOM 618 ND2 ASN A 38 -8.980 -5.750 5.662 1.00 0.00 N ATOM 0 H ASN A 38 -7.324 -7.118 3.547 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.763 -7.712 2.338 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -11.433 -6.949 3.801 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -10.460 -8.025 4.784 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -8.772 -5.012 6.335 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -8.227 -6.332 5.295 1.00 0.00 H new ATOM 625 N SER A 39 -10.109 -4.836 2.651 1.00 0.00 N ATOM 626 CA SER A 39 -9.927 -3.463 2.199 1.00 0.00 C ATOM 627 C SER A 39 -9.228 -2.647 3.280 1.00 0.00 C ATOM 628 O SER A 39 -9.834 -2.287 4.290 1.00 0.00 O ATOM 629 CB SER A 39 -11.275 -2.829 1.849 1.00 0.00 C ATOM 630 OG SER A 39 -11.113 -1.481 1.441 1.00 0.00 O ATOM 0 H SER A 39 -11.056 -5.063 2.956 1.00 0.00 H new ATOM 0 HA SER A 39 -9.307 -3.471 1.303 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.753 -3.399 1.052 1.00 0.00 H new ATOM 0 HB3 SER A 39 -11.937 -2.874 2.714 1.00 0.00 H new ATOM 0 HG SER A 39 -11.988 -1.098 1.221 1.00 0.00 H new ATOM 636 N TYR A 40 -7.947 -2.365 3.065 1.00 0.00 N ATOM 637 CA TYR A 40 -7.161 -1.599 4.024 1.00 0.00 C ATOM 638 C TYR A 40 -7.103 -0.129 3.625 1.00 0.00 C ATOM 639 O TYR A 40 -6.757 0.203 2.491 1.00 0.00 O ATOM 640 CB TYR A 40 -5.749 -2.178 4.130 1.00 0.00 C ATOM 641 CG TYR A 40 -5.012 -1.759 5.382 1.00 0.00 C ATOM 642 CD1 TYR A 40 -4.253 -0.595 5.408 1.00 0.00 C ATOM 643 CD2 TYR A 40 -5.074 -2.528 6.537 1.00 0.00 C ATOM 644 CE1 TYR A 40 -3.578 -0.210 6.549 1.00 0.00 C ATOM 645 CE2 TYR A 40 -4.401 -2.149 7.682 1.00 0.00 C ATOM 646 CZ TYR A 40 -3.654 -0.991 7.683 1.00 0.00 C ATOM 647 OH TYR A 40 -2.982 -0.611 8.822 1.00 0.00 O ATOM 0 H TYR A 40 -7.431 -2.656 2.234 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.644 -1.668 4.999 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.809 -3.266 4.101 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -5.172 -1.868 3.259 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.190 0.018 4.521 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.658 -3.437 6.540 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.993 0.698 6.554 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -4.460 -2.757 8.572 1.00 0.00 H new ATOM 0 HH TYR A 40 -3.141 -1.269 9.530 1.00 0.00 H new ATOM 657 N THR A 41 -7.454 0.747 4.562 1.00 0.00 N ATOM 658 CA THR A 41 -7.452 2.181 4.304 1.00 0.00 C ATOM 659 C THR A 41 -6.193 2.850 4.847 1.00 0.00 C ATOM 660 O THR A 41 -5.649 2.439 5.872 1.00 0.00 O ATOM 661 CB THR A 41 -8.685 2.865 4.926 1.00 0.00 C ATOM 662 OG1 THR A 41 -8.660 4.270 4.644 1.00 0.00 O ATOM 663 CG2 THR A 41 -8.722 2.649 6.433 1.00 0.00 C ATOM 0 H THR A 41 -7.743 0.488 5.505 1.00 0.00 H new ATOM 0 HA THR A 41 -7.480 2.299 3.221 1.00 0.00 H new ATOM 0 HB THR A 41 -9.578 2.420 4.488 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.447 4.697 5.041 1.00 0.00 H new ATOM 0 HG21 THR A 41 -9.601 3.141 6.850 1.00 0.00 H new ATOM 0 HG22 THR A 41 -8.768 1.581 6.646 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.823 3.070 6.883 1.00 0.00 H new ATOM 671 N ILE A 42 -5.749 3.893 4.156 1.00 0.00 N ATOM 672 CA ILE A 42 -4.566 4.640 4.562 1.00 0.00 C ATOM 673 C ILE A 42 -4.966 6.011 5.098 1.00 0.00 C ATOM 674 O ILE A 42 -5.837 6.673 4.534 1.00 0.00 O ATOM 675 CB ILE A 42 -3.578 4.816 3.387 1.00 0.00 C ATOM 676 CG1 ILE A 42 -2.914 3.479 3.038 1.00 0.00 C ATOM 677 CG2 ILE A 42 -2.525 5.866 3.717 1.00 0.00 C ATOM 678 CD1 ILE A 42 -2.061 2.909 4.153 1.00 0.00 C ATOM 0 H ILE A 42 -6.194 4.242 3.307 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.070 4.069 5.347 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.140 5.160 2.519 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -3.688 2.756 2.780 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -2.294 3.613 2.151 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.841 5.972 2.875 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.012 6.821 3.912 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.967 5.557 4.601 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.625 1.963 3.831 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.264 3.611 4.397 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -2.679 2.742 5.035 1.00 0.00 H new ATOM 690 N LYS A 43 -4.331 6.423 6.194 1.00 0.00 N ATOM 691 CA LYS A 43 -4.622 7.714 6.815 1.00 0.00 C ATOM 692 C LYS A 43 -4.779 8.809 5.763 1.00 0.00 C ATOM 693 O LYS A 43 -4.028 8.860 4.788 1.00 0.00 O ATOM 694 CB LYS A 43 -3.513 8.090 7.801 1.00 0.00 C ATOM 695 CG LYS A 43 -4.014 8.357 9.214 1.00 0.00 C ATOM 696 CD LYS A 43 -4.712 7.140 9.810 1.00 0.00 C ATOM 697 CE LYS A 43 -3.825 5.903 9.776 1.00 0.00 C ATOM 698 NZ LYS A 43 -2.487 6.159 10.376 1.00 0.00 N ATOM 0 H LYS A 43 -3.611 5.881 6.671 1.00 0.00 H new ATOM 0 HA LYS A 43 -5.565 7.622 7.355 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -2.778 7.285 7.832 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.998 8.978 7.434 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.175 8.641 9.849 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.704 9.201 9.201 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -4.998 7.354 10.840 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -5.631 6.943 9.259 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -4.314 5.091 10.314 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -3.703 5.573 8.744 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -2.092 5.267 10.736 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.852 6.552 9.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -2.582 6.837 11.159 1.00 0.00 H new ATOM 712 N GLY A 44 -5.770 9.672 5.966 1.00 0.00 N ATOM 713 CA GLY A 44 -6.028 10.750 5.027 1.00 0.00 C ATOM 714 C GLY A 44 -4.798 11.585 4.725 1.00 0.00 C ATOM 715 O GLY A 44 -4.105 12.036 5.636 1.00 0.00 O ATOM 0 H GLY A 44 -6.401 9.644 6.767 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.411 10.330 4.097 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -6.808 11.396 5.430 1.00 0.00 H new ATOM 719 N LEU A 45 -4.537 11.794 3.438 1.00 0.00 N ATOM 720 CA LEU A 45 -3.393 12.586 3.003 1.00 0.00 C ATOM 721 C LEU A 45 -3.755 14.070 2.986 1.00 0.00 C ATOM 722 O LEU A 45 -4.406 14.564 3.908 1.00 0.00 O ATOM 723 CB LEU A 45 -2.930 12.128 1.613 1.00 0.00 C ATOM 724 CG LEU A 45 -2.408 10.687 1.522 1.00 0.00 C ATOM 725 CD1 LEU A 45 -1.435 10.387 2.653 1.00 0.00 C ATOM 726 CD2 LEU A 45 -3.562 9.696 1.534 1.00 0.00 C ATOM 0 H LEU A 45 -5.105 11.424 2.676 1.00 0.00 H new ATOM 0 HA LEU A 45 -2.574 12.438 3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -3.764 12.236 0.919 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.143 12.801 1.273 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.873 10.582 0.578 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.080 9.360 2.565 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -0.587 11.070 2.595 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.939 10.516 3.611 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.171 8.681 1.469 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.128 9.808 2.459 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.216 9.888 0.683 1.00 0.00 H new ATOM 738 N LYS A 46 -3.342 14.778 1.939 1.00 0.00 N ATOM 739 CA LYS A 46 -3.641 16.202 1.817 1.00 0.00 C ATOM 740 C LYS A 46 -4.072 16.544 0.391 1.00 0.00 C ATOM 741 O LYS A 46 -3.298 16.380 -0.552 1.00 0.00 O ATOM 742 CB LYS A 46 -2.422 17.039 2.218 1.00 0.00 C ATOM 743 CG LYS A 46 -2.456 18.465 1.685 1.00 0.00 C ATOM 744 CD LYS A 46 -1.254 19.265 2.161 1.00 0.00 C ATOM 745 CE LYS A 46 -0.675 20.119 1.044 1.00 0.00 C ATOM 746 NZ LYS A 46 0.690 20.614 1.374 1.00 0.00 N ATOM 0 H LYS A 46 -2.801 14.391 1.165 1.00 0.00 H new ATOM 0 HA LYS A 46 -4.465 16.437 2.491 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.355 17.069 3.306 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -1.519 16.547 1.856 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -2.474 18.447 0.595 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.373 18.955 2.011 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.548 19.904 2.994 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -0.488 18.585 2.535 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -0.637 19.536 0.124 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.333 20.967 0.857 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 1.049 21.192 0.587 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.650 21.192 2.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 1.325 19.805 1.527 1.00 0.00 H new ATOM 760 N PRO A 47 -5.317 17.025 0.213 1.00 0.00 N ATOM 761 CA PRO A 47 -5.842 17.388 -1.108 1.00 0.00 C ATOM 762 C PRO A 47 -5.015 18.484 -1.772 1.00 0.00 C ATOM 763 O PRO A 47 -4.999 19.627 -1.315 1.00 0.00 O ATOM 764 CB PRO A 47 -7.260 17.892 -0.814 1.00 0.00 C ATOM 765 CG PRO A 47 -7.603 17.326 0.520 1.00 0.00 C ATOM 766 CD PRO A 47 -6.310 17.252 1.278 1.00 0.00 C ATOM 0 HA PRO A 47 -5.816 16.546 -1.799 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.297 18.981 -0.802 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.963 17.558 -1.577 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -8.325 17.957 1.039 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -8.055 16.339 0.421 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -6.110 18.172 1.827 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -6.314 16.441 2.006 1.00 0.00 H new ATOM 774 N GLY A 48 -4.330 18.127 -2.853 1.00 0.00 N ATOM 775 CA GLY A 48 -3.508 19.089 -3.565 1.00 0.00 C ATOM 776 C GLY A 48 -2.060 18.655 -3.654 1.00 0.00 C ATOM 777 O GLY A 48 -1.335 19.068 -4.559 1.00 0.00 O ATOM 0 H GLY A 48 -4.329 17.187 -3.250 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.905 19.229 -4.570 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.565 20.055 -3.062 1.00 0.00 H new ATOM 781 N VAL A 49 -1.639 17.817 -2.712 1.00 0.00 N ATOM 782 CA VAL A 49 -0.268 17.321 -2.684 1.00 0.00 C ATOM 783 C VAL A 49 -0.234 15.803 -2.840 1.00 0.00 C ATOM 784 O VAL A 49 -1.048 15.088 -2.252 1.00 0.00 O ATOM 785 CB VAL A 49 0.457 17.724 -1.383 1.00 0.00 C ATOM 786 CG1 VAL A 49 -0.034 16.899 -0.206 1.00 0.00 C ATOM 787 CG2 VAL A 49 1.962 17.588 -1.544 1.00 0.00 C ATOM 0 H VAL A 49 -2.229 17.467 -1.957 1.00 0.00 H new ATOM 0 HA VAL A 49 0.254 17.779 -3.524 1.00 0.00 H new ATOM 0 HB VAL A 49 0.226 18.770 -1.179 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.494 17.204 0.698 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.104 17.057 -0.072 1.00 0.00 H new ATOM 0 HG13 VAL A 49 0.155 15.843 -0.398 1.00 0.00 H new ATOM 0 HG21 VAL A 49 2.455 17.877 -0.616 1.00 0.00 H new ATOM 0 HG22 VAL A 49 2.211 16.553 -1.780 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.302 18.236 -2.352 1.00 0.00 H new ATOM 797 N VAL A 50 0.701 15.317 -3.648 1.00 0.00 N ATOM 798 CA VAL A 50 0.829 13.886 -3.891 1.00 0.00 C ATOM 799 C VAL A 50 1.900 13.261 -3.002 1.00 0.00 C ATOM 800 O VAL A 50 2.962 13.844 -2.783 1.00 0.00 O ATOM 801 CB VAL A 50 1.166 13.596 -5.365 1.00 0.00 C ATOM 802 CG1 VAL A 50 1.216 12.098 -5.619 1.00 0.00 C ATOM 803 CG2 VAL A 50 0.154 14.266 -6.279 1.00 0.00 C ATOM 0 H VAL A 50 1.381 15.892 -4.145 1.00 0.00 H new ATOM 0 HA VAL A 50 -0.136 13.441 -3.650 1.00 0.00 H new ATOM 0 HB VAL A 50 2.151 14.008 -5.583 1.00 0.00 H new ATOM 0 HG11 VAL A 50 1.456 11.914 -6.666 1.00 0.00 H new ATOM 0 HG12 VAL A 50 1.981 11.647 -4.987 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.247 11.657 -5.386 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.405 14.052 -7.318 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.843 13.884 -6.060 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.173 15.343 -6.115 1.00 0.00 H new ATOM 813 N TYR A 51 1.610 12.065 -2.496 1.00 0.00 N ATOM 814 CA TYR A 51 2.542 11.349 -1.634 1.00 0.00 C ATOM 815 C TYR A 51 3.199 10.199 -2.391 1.00 0.00 C ATOM 816 O TYR A 51 2.516 9.377 -3.001 1.00 0.00 O ATOM 817 CB TYR A 51 1.818 10.801 -0.401 1.00 0.00 C ATOM 818 CG TYR A 51 1.436 11.861 0.609 1.00 0.00 C ATOM 819 CD1 TYR A 51 0.454 12.801 0.321 1.00 0.00 C ATOM 820 CD2 TYR A 51 2.053 11.915 1.851 1.00 0.00 C ATOM 821 CE1 TYR A 51 0.101 13.767 1.244 1.00 0.00 C ATOM 822 CE2 TYR A 51 1.705 12.879 2.779 1.00 0.00 C ATOM 823 CZ TYR A 51 0.729 13.801 2.471 1.00 0.00 C ATOM 824 OH TYR A 51 0.378 14.762 3.391 1.00 0.00 O ATOM 0 H TYR A 51 0.734 11.572 -2.670 1.00 0.00 H new ATOM 0 HA TYR A 51 3.313 12.051 -1.315 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.917 10.279 -0.723 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.457 10.064 0.085 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.041 12.776 -0.639 1.00 0.00 H new ATOM 0 HD2 TYR A 51 2.817 11.192 2.097 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.663 14.492 1.005 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.196 12.909 3.741 1.00 0.00 H new ATOM 0 HH TYR A 51 0.913 14.647 4.204 1.00 0.00 H new ATOM 834 N GLU A 52 4.526 10.140 -2.339 1.00 0.00 N ATOM 835 CA GLU A 52 5.263 9.074 -3.014 1.00 0.00 C ATOM 836 C GLU A 52 5.324 7.836 -2.124 1.00 0.00 C ATOM 837 O GLU A 52 5.528 7.948 -0.918 1.00 0.00 O ATOM 838 CB GLU A 52 6.676 9.542 -3.384 1.00 0.00 C ATOM 839 CG GLU A 52 7.588 9.762 -2.186 1.00 0.00 C ATOM 840 CD GLU A 52 9.058 9.673 -2.551 1.00 0.00 C ATOM 841 OE1 GLU A 52 9.488 10.407 -3.465 1.00 0.00 O ATOM 842 OE2 GLU A 52 9.778 8.870 -1.922 1.00 0.00 O ATOM 0 H GLU A 52 5.110 10.811 -1.841 1.00 0.00 H new ATOM 0 HA GLU A 52 4.740 8.818 -3.935 1.00 0.00 H new ATOM 0 HB2 GLU A 52 7.131 8.803 -4.044 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.604 10.472 -3.948 1.00 0.00 H new ATOM 0 HG2 GLU A 52 7.383 10.741 -1.752 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.362 9.020 -1.420 1.00 0.00 H new ATOM 849 N GLY A 53 5.129 6.659 -2.711 1.00 0.00 N ATOM 850 CA GLY A 53 5.152 5.440 -1.921 1.00 0.00 C ATOM 851 C GLY A 53 5.674 4.232 -2.674 1.00 0.00 C ATOM 852 O GLY A 53 5.630 4.183 -3.898 1.00 0.00 O ATOM 0 H GLY A 53 4.957 6.527 -3.708 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.771 5.602 -1.039 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.143 5.228 -1.568 1.00 0.00 H new ATOM 856 N GLN A 54 6.158 3.249 -1.922 1.00 0.00 N ATOM 857 CA GLN A 54 6.681 2.009 -2.483 1.00 0.00 C ATOM 858 C GLN A 54 6.131 0.823 -1.698 1.00 0.00 C ATOM 859 O GLN A 54 5.971 0.904 -0.480 1.00 0.00 O ATOM 860 CB GLN A 54 8.210 2.003 -2.435 1.00 0.00 C ATOM 861 CG GLN A 54 8.790 3.165 -1.649 1.00 0.00 C ATOM 862 CD GLN A 54 10.307 3.182 -1.655 1.00 0.00 C ATOM 863 OE1 GLN A 54 10.952 2.134 -1.713 1.00 0.00 O ATOM 864 NE2 GLN A 54 10.883 4.376 -1.594 1.00 0.00 N ATOM 0 H GLN A 54 6.199 3.290 -0.904 1.00 0.00 H new ATOM 0 HA GLN A 54 6.368 1.932 -3.524 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.549 1.067 -1.990 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.599 2.032 -3.453 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.419 4.101 -2.067 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.436 3.113 -0.619 1.00 0.00 H new ATOM 0 HE21 GLN A 54 10.309 5.218 -1.547 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.900 4.452 -1.594 1.00 0.00 H new ATOM 873 N LEU A 55 5.841 -0.275 -2.385 1.00 0.00 N ATOM 874 CA LEU A 55 5.308 -1.458 -1.717 1.00 0.00 C ATOM 875 C LEU A 55 6.352 -2.563 -1.642 1.00 0.00 C ATOM 876 O LEU A 55 6.638 -3.221 -2.640 1.00 0.00 O ATOM 877 CB LEU A 55 4.069 -1.972 -2.455 1.00 0.00 C ATOM 878 CG LEU A 55 2.770 -1.959 -1.645 1.00 0.00 C ATOM 879 CD1 LEU A 55 1.634 -2.572 -2.450 1.00 0.00 C ATOM 880 CD2 LEU A 55 2.949 -2.705 -0.330 1.00 0.00 C ATOM 0 H LEU A 55 5.964 -0.372 -3.393 1.00 0.00 H new ATOM 0 HA LEU A 55 5.032 -1.172 -0.702 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.924 -1.369 -3.351 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.261 -2.993 -2.785 1.00 0.00 H new ATOM 0 HG LEU A 55 2.518 -0.922 -1.421 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.718 -2.555 -1.859 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.486 -1.999 -3.365 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.883 -3.603 -2.704 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.014 -2.684 0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.227 -3.739 -0.533 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.734 -2.227 0.256 1.00 0.00 H new ATOM 892 N ILE A 56 6.899 -2.780 -0.449 1.00 0.00 N ATOM 893 CA ILE A 56 7.895 -3.825 -0.247 1.00 0.00 C ATOM 894 C ILE A 56 7.218 -5.117 0.187 1.00 0.00 C ATOM 895 O ILE A 56 6.285 -5.099 0.988 1.00 0.00 O ATOM 896 CB ILE A 56 8.949 -3.417 0.801 1.00 0.00 C ATOM 897 CG1 ILE A 56 9.779 -2.240 0.286 1.00 0.00 C ATOM 898 CG2 ILE A 56 9.853 -4.599 1.136 1.00 0.00 C ATOM 899 CD1 ILE A 56 9.198 -0.888 0.640 1.00 0.00 C ATOM 0 H ILE A 56 6.669 -2.247 0.390 1.00 0.00 H new ATOM 0 HA ILE A 56 8.406 -3.978 -1.198 1.00 0.00 H new ATOM 0 HB ILE A 56 8.434 -3.109 1.711 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.787 -2.311 0.694 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.868 -2.315 -0.798 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.591 -4.294 1.877 1.00 0.00 H new ATOM 0 HG22 ILE A 56 9.252 -5.415 1.537 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.363 -4.935 0.233 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.839 -0.101 0.243 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.201 -0.796 0.209 1.00 0.00 H new ATOM 0 HD13 ILE A 56 9.135 -0.792 1.724 1.00 0.00 H new ATOM 911 N SER A 57 7.674 -6.233 -0.363 1.00 0.00 N ATOM 912 CA SER A 57 7.091 -7.524 -0.044 1.00 0.00 C ATOM 913 C SER A 57 8.119 -8.476 0.541 1.00 0.00 C ATOM 914 O SER A 57 9.114 -8.818 -0.099 1.00 0.00 O ATOM 915 CB SER A 57 6.467 -8.134 -1.290 1.00 0.00 C ATOM 916 OG SER A 57 7.069 -9.375 -1.617 1.00 0.00 O ATOM 0 H SER A 57 8.444 -6.269 -1.031 1.00 0.00 H new ATOM 0 HA SER A 57 6.320 -7.364 0.710 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.398 -8.277 -1.130 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.574 -7.444 -2.127 1.00 0.00 H new ATOM 0 HG SER A 57 6.547 -9.817 -2.319 1.00 0.00 H new ATOM 922 N ILE A 58 7.857 -8.901 1.762 1.00 0.00 N ATOM 923 CA ILE A 58 8.737 -9.823 2.463 1.00 0.00 C ATOM 924 C ILE A 58 8.050 -11.163 2.700 1.00 0.00 C ATOM 925 O ILE A 58 6.939 -11.217 3.234 1.00 0.00 O ATOM 926 CB ILE A 58 9.203 -9.241 3.808 1.00 0.00 C ATOM 927 CG1 ILE A 58 9.398 -7.724 3.684 1.00 0.00 C ATOM 928 CG2 ILE A 58 10.485 -9.927 4.255 1.00 0.00 C ATOM 929 CD1 ILE A 58 10.289 -7.119 4.751 1.00 0.00 C ATOM 0 H ILE A 58 7.034 -8.620 2.295 1.00 0.00 H new ATOM 0 HA ILE A 58 9.609 -9.977 1.828 1.00 0.00 H new ATOM 0 HB ILE A 58 8.440 -9.423 4.565 1.00 0.00 H new ATOM 0 HG12 ILE A 58 9.823 -7.503 2.705 1.00 0.00 H new ATOM 0 HG13 ILE A 58 8.422 -7.240 3.725 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.808 -9.509 5.208 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.305 -10.996 4.370 1.00 0.00 H new ATOM 0 HG23 ILE A 58 11.262 -9.769 3.507 1.00 0.00 H new ATOM 0 HD11 ILE A 58 10.373 -6.044 4.589 1.00 0.00 H new ATOM 0 HD12 ILE A 58 9.857 -7.305 5.734 1.00 0.00 H new ATOM 0 HD13 ILE A 58 11.279 -7.572 4.698 1.00 0.00 H new ATOM 941 N GLN A 59 8.713 -12.243 2.301 1.00 0.00 N ATOM 942 CA GLN A 59 8.163 -13.582 2.470 1.00 0.00 C ATOM 943 C GLN A 59 9.055 -14.429 3.371 1.00 0.00 C ATOM 944 O GLN A 59 10.060 -13.947 3.895 1.00 0.00 O ATOM 945 CB GLN A 59 7.990 -14.262 1.111 1.00 0.00 C ATOM 946 CG GLN A 59 9.278 -14.372 0.314 1.00 0.00 C ATOM 947 CD GLN A 59 9.120 -15.239 -0.921 1.00 0.00 C ATOM 948 OE1 GLN A 59 9.197 -14.753 -2.050 1.00 0.00 O ATOM 949 NE2 GLN A 59 8.892 -16.530 -0.711 1.00 0.00 N ATOM 0 H GLN A 59 9.632 -12.217 1.859 1.00 0.00 H new ATOM 0 HA GLN A 59 7.187 -13.488 2.945 1.00 0.00 H new ATOM 0 HB2 GLN A 59 7.582 -15.261 1.264 1.00 0.00 H new ATOM 0 HB3 GLN A 59 7.258 -13.705 0.526 1.00 0.00 H new ATOM 0 HG2 GLN A 59 9.604 -13.376 0.016 1.00 0.00 H new ATOM 0 HG3 GLN A 59 10.061 -14.787 0.949 1.00 0.00 H new ATOM 0 HE21 GLN A 59 8.836 -16.890 0.242 1.00 0.00 H new ATOM 0 HE22 GLN A 59 8.773 -17.162 -1.503 1.00 0.00 H new ATOM 958 N GLN A 60 8.677 -15.690 3.552 1.00 0.00 N ATOM 959 CA GLN A 60 9.437 -16.604 4.395 1.00 0.00 C ATOM 960 C GLN A 60 10.748 -17.015 3.730 1.00 0.00 C ATOM 961 O GLN A 60 11.560 -17.720 4.329 1.00 0.00 O ATOM 962 CB GLN A 60 8.604 -17.848 4.713 1.00 0.00 C ATOM 963 CG GLN A 60 7.988 -18.496 3.484 1.00 0.00 C ATOM 964 CD GLN A 60 7.214 -19.757 3.816 1.00 0.00 C ATOM 965 OE1 GLN A 60 6.003 -19.716 4.034 1.00 0.00 O ATOM 966 NE2 GLN A 60 7.911 -20.887 3.854 1.00 0.00 N ATOM 0 H GLN A 60 7.847 -16.102 3.125 1.00 0.00 H new ATOM 0 HA GLN A 60 9.675 -16.081 5.322 1.00 0.00 H new ATOM 0 HB2 GLN A 60 9.235 -18.578 5.221 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.809 -17.575 5.407 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.323 -17.783 2.997 1.00 0.00 H new ATOM 0 HG3 GLN A 60 8.776 -18.735 2.770 1.00 0.00 H new ATOM 0 HE21 GLN A 60 8.914 -20.874 3.667 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.444 -21.767 4.071 1.00 0.00 H new ATOM 975 N TYR A 61 10.950 -16.576 2.490 1.00 0.00 N ATOM 976 CA TYR A 61 12.166 -16.908 1.756 1.00 0.00 C ATOM 977 C TYR A 61 13.151 -15.742 1.767 1.00 0.00 C ATOM 978 O TYR A 61 14.279 -15.866 1.290 1.00 0.00 O ATOM 979 CB TYR A 61 11.829 -17.299 0.316 1.00 0.00 C ATOM 980 CG TYR A 61 11.621 -18.786 0.132 1.00 0.00 C ATOM 981 CD1 TYR A 61 12.704 -19.642 -0.027 1.00 0.00 C ATOM 982 CD2 TYR A 61 10.344 -19.332 0.118 1.00 0.00 C ATOM 983 CE1 TYR A 61 12.520 -21.001 -0.192 1.00 0.00 C ATOM 984 CE2 TYR A 61 10.152 -20.691 -0.048 1.00 0.00 C ATOM 985 CZ TYR A 61 11.242 -21.520 -0.202 1.00 0.00 C ATOM 986 OH TYR A 61 11.055 -22.874 -0.364 1.00 0.00 O ATOM 0 H TYR A 61 10.290 -15.992 1.975 1.00 0.00 H new ATOM 0 HA TYR A 61 12.637 -17.756 2.253 1.00 0.00 H new ATOM 0 HB2 TYR A 61 10.927 -16.772 0.006 1.00 0.00 H new ATOM 0 HB3 TYR A 61 12.633 -16.968 -0.341 1.00 0.00 H new ATOM 0 HD1 TYR A 61 13.706 -19.238 -0.021 1.00 0.00 H new ATOM 0 HD2 TYR A 61 9.488 -18.685 0.239 1.00 0.00 H new ATOM 0 HE1 TYR A 61 13.372 -21.654 -0.313 1.00 0.00 H new ATOM 0 HE2 TYR A 61 9.153 -21.101 -0.057 1.00 0.00 H new ATOM 0 HH TYR A 61 10.096 -23.076 -0.347 1.00 0.00 H new ATOM 996 N GLY A 62 12.722 -14.616 2.327 1.00 0.00 N ATOM 997 CA GLY A 62 13.582 -13.449 2.405 1.00 0.00 C ATOM 998 C GLY A 62 13.567 -12.610 1.141 1.00 0.00 C ATOM 999 O GLY A 62 14.444 -11.768 0.942 1.00 0.00 O ATOM 0 H GLY A 62 11.793 -14.490 2.729 1.00 0.00 H new ATOM 0 HA2 GLY A 62 13.270 -12.831 3.247 1.00 0.00 H new ATOM 0 HA3 GLY A 62 14.603 -13.771 2.607 1.00 0.00 H new ATOM 1003 N HIS A 63 12.572 -12.830 0.287 1.00 0.00 N ATOM 1004 CA HIS A 63 12.459 -12.073 -0.957 1.00 0.00 C ATOM 1005 C HIS A 63 12.144 -10.611 -0.668 1.00 0.00 C ATOM 1006 O HIS A 63 11.924 -10.230 0.483 1.00 0.00 O ATOM 1007 CB HIS A 63 11.375 -12.666 -1.854 1.00 0.00 C ATOM 1008 CG HIS A 63 11.867 -13.027 -3.223 1.00 0.00 C ATOM 1009 ND1 HIS A 63 12.144 -14.327 -3.566 1.00 0.00 N ATOM 1010 CD2 HIS A 63 12.119 -12.224 -4.286 1.00 0.00 C ATOM 1011 CE1 HIS A 63 12.555 -14.290 -4.821 1.00 0.00 C ATOM 1012 NE2 HIS A 63 12.556 -13.037 -5.301 1.00 0.00 N ATOM 0 H HIS A 63 11.836 -13.522 0.431 1.00 0.00 H new ATOM 0 HA HIS A 63 13.416 -12.134 -1.475 1.00 0.00 H new ATOM 0 HB2 HIS A 63 10.966 -13.556 -1.377 1.00 0.00 H new ATOM 0 HB3 HIS A 63 10.558 -11.950 -1.947 1.00 0.00 H new ATOM 0 HD2 HIS A 63 11.999 -11.151 -4.326 1.00 0.00 H new ATOM 0 HE1 HIS A 63 12.853 -15.159 -5.389 1.00 0.00 H new ATOM 0 HE2 HIS A 63 12.829 -12.745 -6.239 1.00 0.00 H new ATOM 1020 N GLN A 64 12.121 -9.794 -1.716 1.00 0.00 N ATOM 1021 CA GLN A 64 11.832 -8.374 -1.566 1.00 0.00 C ATOM 1022 C GLN A 64 11.202 -7.800 -2.831 1.00 0.00 C ATOM 1023 O GLN A 64 11.903 -7.401 -3.761 1.00 0.00 O ATOM 1024 CB GLN A 64 13.109 -7.609 -1.222 1.00 0.00 C ATOM 1025 CG GLN A 64 13.426 -7.598 0.264 1.00 0.00 C ATOM 1026 CD GLN A 64 13.160 -6.251 0.908 1.00 0.00 C ATOM 1027 OE1 GLN A 64 12.787 -5.290 0.234 1.00 0.00 O ATOM 1028 NE2 GLN A 64 13.351 -6.174 2.220 1.00 0.00 N ATOM 0 H GLN A 64 12.299 -10.091 -2.676 1.00 0.00 H new ATOM 0 HA GLN A 64 11.116 -8.261 -0.751 1.00 0.00 H new ATOM 0 HB2 GLN A 64 13.946 -8.053 -1.761 1.00 0.00 H new ATOM 0 HB3 GLN A 64 13.013 -6.581 -1.573 1.00 0.00 H new ATOM 0 HG2 GLN A 64 12.829 -8.360 0.765 1.00 0.00 H new ATOM 0 HG3 GLN A 64 14.472 -7.866 0.410 1.00 0.00 H new ATOM 0 HE21 GLN A 64 13.661 -6.995 2.739 1.00 0.00 H new ATOM 0 HE22 GLN A 64 13.188 -5.293 2.708 1.00 0.00 H new ATOM 1037 N GLU A 65 9.874 -7.752 -2.848 1.00 0.00 N ATOM 1038 CA GLU A 65 9.138 -7.216 -3.989 1.00 0.00 C ATOM 1039 C GLU A 65 8.753 -5.769 -3.728 1.00 0.00 C ATOM 1040 O GLU A 65 8.034 -5.471 -2.779 1.00 0.00 O ATOM 1041 CB GLU A 65 7.888 -8.055 -4.249 1.00 0.00 C ATOM 1042 CG GLU A 65 7.605 -8.287 -5.724 1.00 0.00 C ATOM 1043 CD GLU A 65 8.032 -9.665 -6.191 1.00 0.00 C ATOM 1044 OE1 GLU A 65 9.064 -10.167 -5.694 1.00 0.00 O ATOM 1045 OE2 GLU A 65 7.338 -10.243 -7.053 1.00 0.00 O ATOM 0 H GLU A 65 9.284 -8.078 -2.083 1.00 0.00 H new ATOM 0 HA GLU A 65 9.777 -7.256 -4.871 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.999 -9.019 -3.753 1.00 0.00 H new ATOM 0 HB3 GLU A 65 7.028 -7.561 -3.796 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.539 -8.159 -5.910 1.00 0.00 H new ATOM 0 HG3 GLU A 65 8.124 -7.531 -6.313 1.00 0.00 H new ATOM 1052 N VAL A 66 9.257 -4.867 -4.557 1.00 0.00 N ATOM 1053 CA VAL A 66 8.983 -3.450 -4.380 1.00 0.00 C ATOM 1054 C VAL A 66 8.454 -2.790 -5.651 1.00 0.00 C ATOM 1055 O VAL A 66 8.994 -2.978 -6.740 1.00 0.00 O ATOM 1056 CB VAL A 66 10.253 -2.722 -3.910 1.00 0.00 C ATOM 1057 CG1 VAL A 66 11.465 -3.263 -4.648 1.00 0.00 C ATOM 1058 CG2 VAL A 66 10.128 -1.214 -4.088 1.00 0.00 C ATOM 0 H VAL A 66 9.854 -5.089 -5.354 1.00 0.00 H new ATOM 0 HA VAL A 66 8.203 -3.370 -3.623 1.00 0.00 H new ATOM 0 HB VAL A 66 10.382 -2.910 -2.844 1.00 0.00 H new ATOM 0 HG11 VAL A 66 12.360 -2.742 -4.309 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.568 -4.329 -4.446 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.338 -3.107 -5.719 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.043 -0.730 -3.746 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.968 -0.984 -5.141 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.284 -0.847 -3.504 1.00 0.00 H new ATOM 1068 N THR A 67 7.397 -1.998 -5.483 1.00 0.00 N ATOM 1069 CA THR A 67 6.779 -1.278 -6.588 1.00 0.00 C ATOM 1070 C THR A 67 6.433 0.148 -6.165 1.00 0.00 C ATOM 1071 O THR A 67 5.690 0.357 -5.207 1.00 0.00 O ATOM 1072 CB THR A 67 5.502 -1.986 -7.082 1.00 0.00 C ATOM 1073 OG1 THR A 67 5.819 -3.309 -7.530 1.00 0.00 O ATOM 1074 CG2 THR A 67 4.851 -1.206 -8.214 1.00 0.00 C ATOM 0 H THR A 67 6.949 -1.839 -4.581 1.00 0.00 H new ATOM 0 HA THR A 67 7.500 -1.255 -7.405 1.00 0.00 H new ATOM 0 HB THR A 67 4.800 -2.041 -6.250 1.00 0.00 H new ATOM 0 HG1 THR A 67 5.003 -3.753 -7.841 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.952 -1.726 -8.545 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.585 -0.209 -7.863 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.549 -1.123 -9.047 1.00 0.00 H new ATOM 1082 N ARG A 68 6.985 1.125 -6.877 1.00 0.00 N ATOM 1083 CA ARG A 68 6.747 2.530 -6.565 1.00 0.00 C ATOM 1084 C ARG A 68 5.443 3.029 -7.189 1.00 0.00 C ATOM 1085 O ARG A 68 5.122 2.702 -8.331 1.00 0.00 O ATOM 1086 CB ARG A 68 7.922 3.370 -7.062 1.00 0.00 C ATOM 1087 CG ARG A 68 9.260 2.658 -6.941 1.00 0.00 C ATOM 1088 CD ARG A 68 9.844 2.326 -8.304 1.00 0.00 C ATOM 1089 NE ARG A 68 10.582 1.065 -8.292 1.00 0.00 N ATOM 1090 CZ ARG A 68 11.866 0.963 -7.959 1.00 0.00 C ATOM 1091 NH1 ARG A 68 12.555 2.044 -7.618 1.00 0.00 N ATOM 1092 NH2 ARG A 68 12.463 -0.222 -7.969 1.00 0.00 N ATOM 0 H ARG A 68 7.601 0.969 -7.675 1.00 0.00 H new ATOM 0 HA ARG A 68 6.656 2.629 -5.483 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.753 3.638 -8.105 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.960 4.301 -6.496 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.958 3.287 -6.389 1.00 0.00 H new ATOM 0 HG3 ARG A 68 9.134 1.741 -6.366 1.00 0.00 H new ATOM 0 HD2 ARG A 68 9.040 2.269 -9.038 1.00 0.00 H new ATOM 0 HD3 ARG A 68 10.507 3.131 -8.620 1.00 0.00 H new ATOM 0 HE ARG A 68 10.084 0.214 -8.554 1.00 0.00 H new ATOM 0 HH11 ARG A 68 12.101 2.957 -7.611 1.00 0.00 H new ATOM 0 HH12 ARG A 68 13.539 1.962 -7.363 1.00 0.00 H new ATOM 0 HH21 ARG A 68 11.937 -1.056 -8.232 1.00 0.00 H new ATOM 0 HH22 ARG A 68 13.447 -0.299 -7.714 1.00 0.00 H new ATOM 1106 N PHE A 69 4.703 3.827 -6.422 1.00 0.00 N ATOM 1107 CA PHE A 69 3.435 4.385 -6.876 1.00 0.00 C ATOM 1108 C PHE A 69 3.194 5.761 -6.256 1.00 0.00 C ATOM 1109 O PHE A 69 3.749 6.085 -5.207 1.00 0.00 O ATOM 1110 CB PHE A 69 2.276 3.449 -6.514 1.00 0.00 C ATOM 1111 CG PHE A 69 2.422 2.774 -5.174 1.00 0.00 C ATOM 1112 CD1 PHE A 69 2.622 3.516 -4.017 1.00 0.00 C ATOM 1113 CD2 PHE A 69 2.353 1.393 -5.072 1.00 0.00 C ATOM 1114 CE1 PHE A 69 2.751 2.892 -2.788 1.00 0.00 C ATOM 1115 CE2 PHE A 69 2.481 0.766 -3.848 1.00 0.00 C ATOM 1116 CZ PHE A 69 2.681 1.516 -2.705 1.00 0.00 C ATOM 0 H PHE A 69 4.965 4.102 -5.475 1.00 0.00 H new ATOM 0 HA PHE A 69 3.485 4.491 -7.960 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.347 4.019 -6.522 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.187 2.684 -7.286 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.678 4.593 -4.077 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.197 0.800 -5.961 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.906 3.481 -1.896 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.425 -0.311 -3.784 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.782 1.026 -1.748 1.00 0.00 H new ATOM 1126 N ASP A 70 2.356 6.561 -6.909 1.00 0.00 N ATOM 1127 CA ASP A 70 2.030 7.895 -6.417 1.00 0.00 C ATOM 1128 C ASP A 70 0.533 8.008 -6.157 1.00 0.00 C ATOM 1129 O ASP A 70 -0.278 7.801 -7.060 1.00 0.00 O ATOM 1130 CB ASP A 70 2.467 8.958 -7.426 1.00 0.00 C ATOM 1131 CG ASP A 70 3.912 8.790 -7.855 1.00 0.00 C ATOM 1132 OD1 ASP A 70 4.762 8.521 -6.982 1.00 0.00 O ATOM 1133 OD2 ASP A 70 4.192 8.926 -9.064 1.00 0.00 O ATOM 0 H ASP A 70 1.890 6.308 -7.781 1.00 0.00 H new ATOM 0 HA ASP A 70 2.566 8.059 -5.482 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.822 8.909 -8.304 1.00 0.00 H new ATOM 0 HB3 ASP A 70 2.334 9.947 -6.988 1.00 0.00 H new ATOM 1138 N PHE A 71 0.166 8.321 -4.917 1.00 0.00 N ATOM 1139 CA PHE A 71 -1.240 8.435 -4.553 1.00 0.00 C ATOM 1140 C PHE A 71 -1.468 9.495 -3.480 1.00 0.00 C ATOM 1141 O PHE A 71 -0.554 9.863 -2.742 1.00 0.00 O ATOM 1142 CB PHE A 71 -1.758 7.085 -4.053 1.00 0.00 C ATOM 1143 CG PHE A 71 -1.352 6.783 -2.635 1.00 0.00 C ATOM 1144 CD1 PHE A 71 -0.125 6.199 -2.362 1.00 0.00 C ATOM 1145 CD2 PHE A 71 -2.194 7.094 -1.579 1.00 0.00 C ATOM 1146 CE1 PHE A 71 0.255 5.931 -1.060 1.00 0.00 C ATOM 1147 CE2 PHE A 71 -1.820 6.828 -0.275 1.00 0.00 C ATOM 1148 CZ PHE A 71 -0.594 6.246 -0.015 1.00 0.00 C ATOM 0 H PHE A 71 0.819 8.499 -4.154 1.00 0.00 H new ATOM 0 HA PHE A 71 -1.786 8.739 -5.446 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.846 7.072 -4.124 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.386 6.296 -4.707 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.541 5.951 -3.175 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -3.153 7.549 -1.777 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.214 5.476 -0.859 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -2.485 7.075 0.539 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.299 6.037 1.003 1.00 0.00 H new ATOM 1158 N THR A 72 -2.713 9.957 -3.390 1.00 0.00 N ATOM 1159 CA THR A 72 -3.107 10.949 -2.399 1.00 0.00 C ATOM 1160 C THR A 72 -4.549 10.706 -1.963 1.00 0.00 C ATOM 1161 O THR A 72 -5.276 9.946 -2.603 1.00 0.00 O ATOM 1162 CB THR A 72 -2.971 12.396 -2.925 1.00 0.00 C ATOM 1163 OG1 THR A 72 -4.266 12.992 -3.064 1.00 0.00 O ATOM 1164 CG2 THR A 72 -2.247 12.436 -4.263 1.00 0.00 C ATOM 0 H THR A 72 -3.472 9.654 -4.000 1.00 0.00 H new ATOM 0 HA THR A 72 -2.431 10.838 -1.551 1.00 0.00 H new ATOM 0 HB THR A 72 -2.383 12.959 -2.200 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.170 13.909 -3.396 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.169 13.468 -4.604 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.248 12.015 -4.149 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.805 11.853 -4.996 1.00 0.00 H new