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 HD1:sc= -0.28 K(o=-0.28,f=-3.3!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 164:sc= -0.509 (180deg=-0.569) USER MOD Single : A 15 TYR OH : rot 143:sc= 0.441 USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 ASN : amide:sc= -0.776 K(o=-0.78,f=-8.7!) 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= -1.08 K(o=-1.1,f=0.14) USER MOD Single : A 38 ASN : amide:sc= -0.899 K(o=-0.9,f=-0.23) USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 54 GLN : amide:sc= -1.92! C(o=-1.9!,f=-5.5!) USER MOD Single : A 57 SER OG : rot 105:sc= -1.06! USER MOD Single : A 59 GLN : amide:sc= 0.133 K(o=0.13,f=-4.5!) 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= 0.427 K(o=0.43,f=-3.3!) USER MOD Single : A 64 GLN : amide:sc= -2.69 K(o=-2.7,f=-0.28) USER MOD Single : A 67 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 142 N HIS A 11 -0.908 -16.788 1.316 1.00 0.00 N ATOM 143 CA HIS A 11 -0.593 -15.368 1.408 1.00 0.00 C ATOM 144 C HIS A 11 0.847 -15.157 1.863 1.00 0.00 C ATOM 145 O HIS A 11 1.435 -16.022 2.512 1.00 0.00 O ATOM 146 CB HIS A 11 -1.554 -14.675 2.377 1.00 0.00 C ATOM 147 CG HIS A 11 -2.969 -14.630 1.888 1.00 0.00 C ATOM 148 ND1 HIS A 11 -3.583 -13.443 1.575 1.00 0.00 N ATOM 149 CD2 HIS A 11 -3.838 -15.648 1.675 1.00 0.00 C ATOM 150 CE1 HIS A 11 -4.804 -13.759 1.180 1.00 0.00 C ATOM 151 NE2 HIS A 11 -5.004 -15.085 1.225 1.00 0.00 N ATOM 0 HA HIS A 11 -0.708 -14.930 0.416 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -1.526 -15.193 3.336 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -1.207 -13.657 2.554 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -3.648 -16.700 1.830 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -5.546 -13.042 0.862 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -5.860 -15.579 0.973 1.00 0.00 H new ATOM 159 N ILE A 12 1.409 -14.002 1.519 1.00 0.00 N ATOM 160 CA ILE A 12 2.781 -13.676 1.892 1.00 0.00 C ATOM 161 C ILE A 12 2.908 -13.497 3.402 1.00 0.00 C ATOM 162 O ILE A 12 1.956 -13.088 4.068 1.00 0.00 O ATOM 163 CB ILE A 12 3.267 -12.390 1.186 1.00 0.00 C ATOM 164 CG1 ILE A 12 4.638 -11.963 1.719 1.00 0.00 C ATOM 165 CG2 ILE A 12 2.253 -11.270 1.367 1.00 0.00 C ATOM 166 CD1 ILE A 12 5.689 -11.816 0.639 1.00 0.00 C ATOM 0 H ILE A 12 0.935 -13.276 0.982 1.00 0.00 H new ATOM 0 HA ILE A 12 3.405 -14.511 1.573 1.00 0.00 H new ATOM 0 HB ILE A 12 3.366 -12.601 0.121 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.535 -11.014 2.245 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.979 -12.697 2.449 1.00 0.00 H new ATOM 0 HG21 ILE A 12 2.610 -10.371 0.864 1.00 0.00 H new ATOM 0 HG22 ILE A 12 1.298 -11.571 0.937 1.00 0.00 H new ATOM 0 HG23 ILE A 12 2.124 -11.064 2.430 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.634 -11.512 1.090 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.821 -12.770 0.128 1.00 0.00 H new ATOM 0 HD13 ILE A 12 5.370 -11.061 -0.079 1.00 0.00 H new ATOM 178 N SER A 13 4.089 -13.806 3.932 1.00 0.00 N ATOM 179 CA SER A 13 4.346 -13.679 5.362 1.00 0.00 C ATOM 180 C SER A 13 3.916 -12.307 5.867 1.00 0.00 C ATOM 181 O SER A 13 3.208 -12.200 6.870 1.00 0.00 O ATOM 182 CB SER A 13 5.831 -13.903 5.656 1.00 0.00 C ATOM 183 OG SER A 13 6.038 -14.226 7.020 1.00 0.00 O ATOM 0 H SER A 13 4.884 -14.147 3.391 1.00 0.00 H new ATOM 0 HA SER A 13 3.763 -14.439 5.883 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.212 -14.707 5.027 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.395 -13.005 5.402 1.00 0.00 H new ATOM 0 HG SER A 13 6.994 -14.366 7.182 1.00 0.00 H new ATOM 189 N LYS A 14 4.339 -11.258 5.165 1.00 0.00 N ATOM 190 CA LYS A 14 3.985 -9.896 5.546 1.00 0.00 C ATOM 191 C LYS A 14 4.370 -8.894 4.459 1.00 0.00 C ATOM 192 O LYS A 14 5.397 -9.040 3.798 1.00 0.00 O ATOM 193 CB LYS A 14 4.672 -9.520 6.861 1.00 0.00 C ATOM 194 CG LYS A 14 6.155 -9.856 6.887 1.00 0.00 C ATOM 195 CD LYS A 14 6.870 -9.144 8.024 1.00 0.00 C ATOM 196 CE LYS A 14 7.698 -7.974 7.515 1.00 0.00 C ATOM 197 NZ LYS A 14 8.176 -7.105 8.625 1.00 0.00 N ATOM 0 H LYS A 14 4.925 -11.326 4.333 1.00 0.00 H new ATOM 0 HA LYS A 14 2.903 -9.859 5.676 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.546 -8.451 7.035 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.176 -10.037 7.682 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.283 -10.933 6.994 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.609 -9.574 5.937 1.00 0.00 H new ATOM 0 HD2 LYS A 14 6.138 -8.786 8.748 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.517 -9.849 8.547 1.00 0.00 H new ATOM 0 HE2 LYS A 14 8.554 -8.352 6.956 1.00 0.00 H new ATOM 0 HE3 LYS A 14 7.101 -7.381 6.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 8.943 -6.492 8.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.390 -6.517 8.968 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.530 -7.698 9.403 1.00 0.00 H new ATOM 211 N TYR A 15 3.536 -7.872 4.298 1.00 0.00 N ATOM 212 CA TYR A 15 3.766 -6.820 3.313 1.00 0.00 C ATOM 213 C TYR A 15 4.239 -5.549 4.010 1.00 0.00 C ATOM 214 O TYR A 15 3.717 -5.192 5.064 1.00 0.00 O ATOM 215 CB TYR A 15 2.466 -6.529 2.554 1.00 0.00 C ATOM 216 CG TYR A 15 2.589 -6.596 1.048 1.00 0.00 C ATOM 217 CD1 TYR A 15 3.500 -5.799 0.365 1.00 0.00 C ATOM 218 CD2 TYR A 15 1.784 -7.454 0.308 1.00 0.00 C ATOM 219 CE1 TYR A 15 3.606 -5.857 -1.011 1.00 0.00 C ATOM 220 CE2 TYR A 15 1.884 -7.517 -1.069 1.00 0.00 C ATOM 221 CZ TYR A 15 2.796 -6.716 -1.723 1.00 0.00 C ATOM 222 OH TYR A 15 2.900 -6.776 -3.095 1.00 0.00 O ATOM 0 H TYR A 15 2.684 -7.749 4.845 1.00 0.00 H new ATOM 0 HA TYR A 15 4.531 -7.153 2.612 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.706 -7.241 2.876 1.00 0.00 H new ATOM 0 HB3 TYR A 15 2.112 -5.537 2.833 1.00 0.00 H new ATOM 0 HD1 TYR A 15 4.135 -5.124 0.919 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.068 -8.082 0.818 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.320 -5.232 -1.527 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.252 -8.190 -1.629 1.00 0.00 H new ATOM 0 HH TYR A 15 2.778 -7.702 -3.392 1.00 0.00 H new ATOM 232 N ILE A 16 5.211 -4.855 3.426 1.00 0.00 N ATOM 233 CA ILE A 16 5.706 -3.620 4.019 1.00 0.00 C ATOM 234 C ILE A 16 5.387 -2.435 3.125 1.00 0.00 C ATOM 235 O ILE A 16 5.856 -2.356 1.992 1.00 0.00 O ATOM 236 CB ILE A 16 7.229 -3.656 4.274 1.00 0.00 C ATOM 237 CG1 ILE A 16 7.569 -4.682 5.361 1.00 0.00 C ATOM 238 CG2 ILE A 16 7.737 -2.267 4.662 1.00 0.00 C ATOM 239 CD1 ILE A 16 7.058 -4.308 6.737 1.00 0.00 C ATOM 0 H ILE A 16 5.666 -5.123 2.553 1.00 0.00 H new ATOM 0 HA ILE A 16 5.202 -3.515 4.980 1.00 0.00 H new ATOM 0 HB ILE A 16 7.728 -3.959 3.353 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.151 -5.648 5.079 1.00 0.00 H new ATOM 0 HG13 ILE A 16 8.651 -4.804 5.406 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.812 -2.309 4.838 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.529 -1.565 3.855 1.00 0.00 H new ATOM 0 HG23 ILE A 16 7.233 -1.936 5.570 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.337 -5.082 7.452 1.00 0.00 H new ATOM 0 HD12 ILE A 16 7.496 -3.357 7.042 1.00 0.00 H new ATOM 0 HD13 ILE A 16 5.972 -4.215 6.709 1.00 0.00 H new ATOM 251 N LEU A 17 4.594 -1.509 3.645 1.00 0.00 N ATOM 252 CA LEU A 17 4.228 -0.327 2.889 1.00 0.00 C ATOM 253 C LEU A 17 5.000 0.875 3.406 1.00 0.00 C ATOM 254 O LEU A 17 4.800 1.315 4.538 1.00 0.00 O ATOM 255 CB LEU A 17 2.720 -0.074 2.988 1.00 0.00 C ATOM 256 CG LEU A 17 2.230 1.236 2.363 1.00 0.00 C ATOM 257 CD1 LEU A 17 2.359 1.190 0.848 1.00 0.00 C ATOM 258 CD2 LEU A 17 0.789 1.514 2.767 1.00 0.00 C ATOM 0 H LEU A 17 4.195 -1.555 4.583 1.00 0.00 H new ATOM 0 HA LEU A 17 4.481 -0.487 1.841 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.198 -0.903 2.509 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.436 -0.083 4.040 1.00 0.00 H new ATOM 0 HG LEU A 17 2.856 2.047 2.735 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.006 2.130 0.424 1.00 0.00 H new ATOM 0 HD12 LEU A 17 3.404 1.039 0.576 1.00 0.00 H new ATOM 0 HD13 LEU A 17 1.760 0.368 0.457 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.458 2.448 2.314 1.00 0.00 H new ATOM 0 HD22 LEU A 17 0.151 0.699 2.425 1.00 0.00 H new ATOM 0 HD23 LEU A 17 0.724 1.594 3.852 1.00 0.00 H new ATOM 270 N ARG A 18 5.877 1.404 2.567 1.00 0.00 N ATOM 271 CA ARG A 18 6.678 2.559 2.930 1.00 0.00 C ATOM 272 C ARG A 18 6.387 3.707 1.984 1.00 0.00 C ATOM 273 O ARG A 18 6.431 3.540 0.765 1.00 0.00 O ATOM 274 CB ARG A 18 8.170 2.216 2.896 1.00 0.00 C ATOM 275 CG ARG A 18 8.486 0.812 3.383 1.00 0.00 C ATOM 276 CD ARG A 18 9.030 -0.057 2.260 1.00 0.00 C ATOM 277 NE ARG A 18 10.160 0.572 1.582 1.00 0.00 N ATOM 278 CZ ARG A 18 11.421 0.175 1.723 1.00 0.00 C ATOM 279 NH1 ARG A 18 11.715 -0.850 2.514 1.00 0.00 N ATOM 280 NH2 ARG A 18 12.391 0.802 1.073 1.00 0.00 N ATOM 0 H ARG A 18 6.051 1.049 1.627 1.00 0.00 H new ATOM 0 HA ARG A 18 6.417 2.856 3.946 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.536 2.328 1.875 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.713 2.935 3.510 1.00 0.00 H new ATOM 0 HG2 ARG A 18 9.215 0.862 4.192 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.585 0.356 3.793 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.340 -1.020 2.665 1.00 0.00 H new ATOM 0 HD3 ARG A 18 8.238 -0.255 1.538 1.00 0.00 H new ATOM 0 HE ARG A 18 9.971 1.362 0.965 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.972 -1.336 3.016 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.684 -1.151 2.619 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.170 1.590 0.464 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.358 0.497 1.182 1.00 0.00 H new ATOM 294 N TRP A 19 6.085 4.872 2.538 1.00 0.00 N ATOM 295 CA TRP A 19 5.787 6.027 1.709 1.00 0.00 C ATOM 296 C TRP A 19 6.141 7.331 2.405 1.00 0.00 C ATOM 297 O TRP A 19 6.311 7.379 3.624 1.00 0.00 O ATOM 298 CB TRP A 19 4.313 6.021 1.296 1.00 0.00 C ATOM 299 CG TRP A 19 3.356 6.271 2.421 1.00 0.00 C ATOM 300 CD1 TRP A 19 2.624 7.399 2.613 1.00 0.00 C ATOM 301 CD2 TRP A 19 3.017 5.383 3.494 1.00 0.00 C ATOM 302 NE1 TRP A 19 1.849 7.277 3.741 1.00 0.00 N ATOM 303 CE2 TRP A 19 2.072 6.048 4.299 1.00 0.00 C ATOM 304 CE3 TRP A 19 3.416 4.093 3.854 1.00 0.00 C ATOM 305 CZ2 TRP A 19 1.523 5.469 5.439 1.00 0.00 C ATOM 306 CZ3 TRP A 19 2.869 3.519 4.987 1.00 0.00 C ATOM 307 CH2 TRP A 19 1.931 4.206 5.768 1.00 0.00 C ATOM 0 H TRP A 19 6.040 5.040 3.543 1.00 0.00 H new ATOM 0 HA TRP A 19 6.406 5.958 0.814 1.00 0.00 H new ATOM 0 HB2 TRP A 19 4.160 6.780 0.529 1.00 0.00 H new ATOM 0 HB3 TRP A 19 4.079 5.058 0.843 1.00 0.00 H new ATOM 0 HD1 TRP A 19 2.648 8.267 1.971 1.00 0.00 H new ATOM 0 HE1 TRP A 19 1.212 7.986 4.103 1.00 0.00 H new ATOM 0 HE3 TRP A 19 4.138 3.554 3.258 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 0.800 5.998 6.042 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 3.171 2.523 5.275 1.00 0.00 H new ATOM 0 HH2 TRP A 19 1.522 3.729 6.647 1.00 0.00 H new ATOM 318 N ARG A 20 6.250 8.381 1.604 1.00 0.00 N ATOM 319 CA ARG A 20 6.585 9.709 2.098 1.00 0.00 C ATOM 320 C ARG A 20 6.140 10.763 1.084 1.00 0.00 C ATOM 321 O ARG A 20 5.899 10.437 -0.079 1.00 0.00 O ATOM 322 CB ARG A 20 8.095 9.810 2.370 1.00 0.00 C ATOM 323 CG ARG A 20 8.876 10.572 1.307 1.00 0.00 C ATOM 324 CD ARG A 20 9.146 9.712 0.083 1.00 0.00 C ATOM 325 NE ARG A 20 10.516 9.863 -0.401 1.00 0.00 N ATOM 326 CZ ARG A 20 10.879 10.744 -1.329 1.00 0.00 C ATOM 327 NH1 ARG A 20 9.974 11.545 -1.875 1.00 0.00 N ATOM 328 NH2 ARG A 20 12.145 10.823 -1.713 1.00 0.00 N ATOM 0 H ARG A 20 6.109 8.337 0.595 1.00 0.00 H new ATOM 0 HA ARG A 20 6.061 9.888 3.037 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.247 10.297 3.334 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.505 8.803 2.453 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.317 11.460 1.012 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.822 10.915 1.726 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.961 8.666 0.327 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.449 9.982 -0.711 1.00 0.00 H new ATOM 0 HE ARG A 20 11.235 9.258 -0.005 1.00 0.00 H new ATOM 0 HH11 ARG A 20 8.998 11.486 -1.583 1.00 0.00 H new ATOM 0 HH12 ARG A 20 10.254 12.220 -2.587 1.00 0.00 H new ATOM 0 HH21 ARG A 20 12.844 10.207 -1.297 1.00 0.00 H new ATOM 0 HH22 ARG A 20 12.421 11.499 -2.425 1.00 0.00 H new ATOM 342 N PRO A 21 6.014 12.036 1.498 1.00 0.00 N ATOM 343 CA PRO A 21 5.585 13.106 0.593 1.00 0.00 C ATOM 344 C PRO A 21 6.502 13.226 -0.617 1.00 0.00 C ATOM 345 O PRO A 21 7.700 13.475 -0.484 1.00 0.00 O ATOM 346 CB PRO A 21 5.659 14.368 1.459 1.00 0.00 C ATOM 347 CG PRO A 21 5.581 13.870 2.861 1.00 0.00 C ATOM 348 CD PRO A 21 6.264 12.536 2.862 1.00 0.00 C ATOM 0 HA PRO A 21 4.591 12.924 0.184 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.586 14.915 1.284 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.839 15.051 1.235 1.00 0.00 H new ATOM 0 HG2 PRO A 21 6.071 14.560 3.548 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.545 13.778 3.186 1.00 0.00 H new ATOM 0 HD2 PRO A 21 7.330 12.628 3.069 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.849 11.870 3.619 1.00 0.00 H new ATOM 356 N LYS A 22 5.928 13.027 -1.796 1.00 0.00 N ATOM 357 CA LYS A 22 6.681 13.093 -3.042 1.00 0.00 C ATOM 358 C LYS A 22 7.258 14.488 -3.275 1.00 0.00 C ATOM 359 O LYS A 22 8.304 14.636 -3.908 1.00 0.00 O ATOM 360 CB LYS A 22 5.781 12.689 -4.210 1.00 0.00 C ATOM 361 CG LYS A 22 6.535 12.098 -5.390 1.00 0.00 C ATOM 362 CD LYS A 22 6.176 12.804 -6.688 1.00 0.00 C ATOM 363 CE LYS A 22 7.258 12.621 -7.740 1.00 0.00 C ATOM 364 NZ LYS A 22 7.803 13.925 -8.211 1.00 0.00 N ATOM 0 H LYS A 22 4.937 12.817 -1.916 1.00 0.00 H new ATOM 0 HA LYS A 22 7.518 12.398 -2.971 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.049 11.962 -3.858 1.00 0.00 H new ATOM 0 HB3 LYS A 22 5.225 13.564 -4.547 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.608 12.178 -5.215 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.305 11.036 -5.476 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.231 12.415 -7.066 1.00 0.00 H new ATOM 0 HD3 LYS A 22 6.029 13.867 -6.497 1.00 0.00 H new ATOM 0 HE2 LYS A 22 8.067 12.018 -7.328 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.850 12.071 -8.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.538 13.756 -8.927 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.037 14.491 -8.628 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.215 14.440 -7.407 1.00 0.00 H new ATOM 378 N ASN A 23 6.573 15.508 -2.766 1.00 0.00 N ATOM 379 CA ASN A 23 7.026 16.887 -2.928 1.00 0.00 C ATOM 380 C ASN A 23 7.749 17.388 -1.680 1.00 0.00 C ATOM 381 O ASN A 23 8.766 18.075 -1.777 1.00 0.00 O ATOM 382 CB ASN A 23 5.841 17.804 -3.245 1.00 0.00 C ATOM 383 CG ASN A 23 4.869 17.921 -2.087 1.00 0.00 C ATOM 384 OD1 ASN A 23 4.462 16.919 -1.499 1.00 0.00 O ATOM 385 ND2 ASN A 23 4.490 19.149 -1.756 1.00 0.00 N ATOM 0 H ASN A 23 5.705 15.407 -2.240 1.00 0.00 H new ATOM 0 HA ASN A 23 7.730 16.907 -3.760 1.00 0.00 H new ATOM 0 HB2 ASN A 23 6.213 18.795 -3.504 1.00 0.00 H new ATOM 0 HB3 ASN A 23 5.314 17.422 -4.120 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.836 19.291 -0.986 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.853 19.951 -2.271 1.00 0.00 H new ATOM 392 N SER A 24 7.218 17.047 -0.508 1.00 0.00 N ATOM 393 CA SER A 24 7.812 17.473 0.755 1.00 0.00 C ATOM 394 C SER A 24 8.868 16.482 1.232 1.00 0.00 C ATOM 395 O SER A 24 8.887 15.326 0.811 1.00 0.00 O ATOM 396 CB SER A 24 6.729 17.632 1.823 1.00 0.00 C ATOM 397 OG SER A 24 6.784 18.916 2.420 1.00 0.00 O ATOM 0 H SER A 24 6.378 16.477 -0.408 1.00 0.00 H new ATOM 0 HA SER A 24 8.297 18.435 0.588 1.00 0.00 H new ATOM 0 HB2 SER A 24 5.747 17.478 1.375 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.854 16.866 2.589 1.00 0.00 H new ATOM 0 HG SER A 24 6.080 18.992 3.098 1.00 0.00 H new ATOM 403 N VAL A 25 9.746 16.945 2.117 1.00 0.00 N ATOM 404 CA VAL A 25 10.807 16.103 2.656 1.00 0.00 C ATOM 405 C VAL A 25 10.479 15.657 4.079 1.00 0.00 C ATOM 406 O VAL A 25 9.838 16.386 4.835 1.00 0.00 O ATOM 407 CB VAL A 25 12.162 16.839 2.651 1.00 0.00 C ATOM 408 CG1 VAL A 25 12.124 18.044 3.579 1.00 0.00 C ATOM 409 CG2 VAL A 25 13.289 15.893 3.040 1.00 0.00 C ATOM 0 H VAL A 25 9.743 17.900 2.476 1.00 0.00 H new ATOM 0 HA VAL A 25 10.880 15.226 2.013 1.00 0.00 H new ATOM 0 HB VAL A 25 12.352 17.196 1.639 1.00 0.00 H new ATOM 0 HG11 VAL A 25 13.090 18.548 3.560 1.00 0.00 H new ATOM 0 HG12 VAL A 25 11.348 18.734 3.248 1.00 0.00 H new ATOM 0 HG13 VAL A 25 11.907 17.714 4.595 1.00 0.00 H new ATOM 0 HG21 VAL A 25 14.236 16.432 3.030 1.00 0.00 H new ATOM 0 HG22 VAL A 25 13.105 15.500 4.040 1.00 0.00 H new ATOM 0 HG23 VAL A 25 13.334 15.068 2.329 1.00 0.00 H new ATOM 419 N GLY A 26 10.923 14.455 4.435 1.00 0.00 N ATOM 420 CA GLY A 26 10.667 13.932 5.766 1.00 0.00 C ATOM 421 C GLY A 26 10.930 12.443 5.868 1.00 0.00 C ATOM 422 O GLY A 26 11.573 11.859 4.997 1.00 0.00 O ATOM 0 H GLY A 26 11.455 13.834 3.826 1.00 0.00 H new ATOM 0 HA2 GLY A 26 11.294 14.458 6.486 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.631 14.134 6.038 1.00 0.00 H new ATOM 426 N ARG A 27 10.431 11.829 6.937 1.00 0.00 N ATOM 427 CA ARG A 27 10.614 10.399 7.155 1.00 0.00 C ATOM 428 C ARG A 27 9.489 9.599 6.505 1.00 0.00 C ATOM 429 O ARG A 27 8.390 10.113 6.294 1.00 0.00 O ATOM 430 CB ARG A 27 10.673 10.095 8.654 1.00 0.00 C ATOM 431 CG ARG A 27 12.083 10.093 9.219 1.00 0.00 C ATOM 432 CD ARG A 27 12.154 10.831 10.547 1.00 0.00 C ATOM 433 NE ARG A 27 13.483 10.749 11.146 1.00 0.00 N ATOM 434 CZ ARG A 27 14.305 11.788 11.262 1.00 0.00 C ATOM 435 NH1 ARG A 27 13.932 12.986 10.834 1.00 0.00 N ATOM 436 NH2 ARG A 27 15.503 11.629 11.809 1.00 0.00 N ATOM 0 H ARG A 27 9.896 12.301 7.666 1.00 0.00 H new ATOM 0 HA ARG A 27 11.556 10.104 6.693 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.077 10.834 9.190 1.00 0.00 H new ATOM 0 HB3 ARG A 27 10.216 9.123 8.837 1.00 0.00 H new ATOM 0 HG2 ARG A 27 12.420 9.065 9.355 1.00 0.00 H new ATOM 0 HG3 ARG A 27 12.762 10.560 8.506 1.00 0.00 H new ATOM 0 HD2 ARG A 27 11.888 11.877 10.395 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.419 10.412 11.235 1.00 0.00 H new ATOM 0 HE ARG A 27 13.799 9.844 11.495 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.011 13.114 10.414 1.00 0.00 H new ATOM 0 HH12 ARG A 27 14.566 13.780 10.925 1.00 0.00 H new ATOM 0 HH21 ARG A 27 15.794 10.709 12.141 1.00 0.00 H new ATOM 0 HH22 ARG A 27 16.133 12.426 11.898 1.00 0.00 H new ATOM 450 N TRP A 28 9.772 8.338 6.190 1.00 0.00 N ATOM 451 CA TRP A 28 8.786 7.463 5.565 1.00 0.00 C ATOM 452 C TRP A 28 7.832 6.888 6.608 1.00 0.00 C ATOM 453 O TRP A 28 7.869 7.272 7.777 1.00 0.00 O ATOM 454 CB TRP A 28 9.484 6.324 4.816 1.00 0.00 C ATOM 455 CG TRP A 28 10.231 6.776 3.596 1.00 0.00 C ATOM 456 CD1 TRP A 28 11.202 7.736 3.536 1.00 0.00 C ATOM 457 CD2 TRP A 28 10.070 6.284 2.260 1.00 0.00 C ATOM 458 NE1 TRP A 28 11.652 7.871 2.245 1.00 0.00 N ATOM 459 CE2 TRP A 28 10.973 6.991 1.443 1.00 0.00 C ATOM 460 CE3 TRP A 28 9.251 5.314 1.675 1.00 0.00 C ATOM 461 CZ2 TRP A 28 11.078 6.759 0.073 1.00 0.00 C ATOM 462 CZ3 TRP A 28 9.357 5.084 0.315 1.00 0.00 C ATOM 463 CH2 TRP A 28 10.265 5.804 -0.472 1.00 0.00 C ATOM 0 H TRP A 28 10.677 7.899 6.358 1.00 0.00 H new ATOM 0 HA TRP A 28 8.209 8.056 4.856 1.00 0.00 H new ATOM 0 HB2 TRP A 28 10.178 5.827 5.493 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.740 5.584 4.523 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.563 8.305 4.380 1.00 0.00 H new ATOM 0 HE1 TRP A 28 12.374 8.521 1.934 1.00 0.00 H new ATOM 0 HE3 TRP A 28 8.548 4.754 2.274 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 11.776 7.313 -0.536 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 8.729 4.337 -0.148 1.00 0.00 H new ATOM 0 HH2 TRP A 28 10.324 5.601 -1.531 1.00 0.00 H new ATOM 474 N LYS A 29 6.984 5.956 6.179 1.00 0.00 N ATOM 475 CA LYS A 29 6.027 5.315 7.073 1.00 0.00 C ATOM 476 C LYS A 29 5.917 3.842 6.725 1.00 0.00 C ATOM 477 O LYS A 29 6.004 3.479 5.556 1.00 0.00 O ATOM 478 CB LYS A 29 4.650 5.978 6.972 1.00 0.00 C ATOM 479 CG LYS A 29 4.702 7.474 6.714 1.00 0.00 C ATOM 480 CD LYS A 29 3.611 8.209 7.475 1.00 0.00 C ATOM 481 CE LYS A 29 3.998 8.429 8.928 1.00 0.00 C ATOM 482 NZ LYS A 29 2.813 8.404 9.828 1.00 0.00 N ATOM 0 H LYS A 29 6.941 5.628 5.214 1.00 0.00 H new ATOM 0 HA LYS A 29 6.382 5.426 8.097 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.086 5.501 6.170 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.103 5.798 7.897 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.677 7.861 7.009 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.593 7.664 5.646 1.00 0.00 H new ATOM 0 HD2 LYS A 29 3.418 9.170 6.999 1.00 0.00 H new ATOM 0 HD3 LYS A 29 2.684 7.638 7.427 1.00 0.00 H new ATOM 0 HE2 LYS A 29 4.704 7.658 9.236 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.509 9.387 9.027 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.119 8.558 10.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.150 9.156 9.550 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.340 7.481 9.754 1.00 0.00 H new ATOM 496 N GLU A 30 5.738 2.998 7.735 1.00 0.00 N ATOM 497 CA GLU A 30 5.639 1.562 7.507 1.00 0.00 C ATOM 498 C GLU A 30 4.305 1.004 7.986 1.00 0.00 C ATOM 499 O GLU A 30 3.858 1.286 9.098 1.00 0.00 O ATOM 500 CB GLU A 30 6.785 0.836 8.210 1.00 0.00 C ATOM 501 CG GLU A 30 8.133 1.036 7.539 1.00 0.00 C ATOM 502 CD GLU A 30 9.274 0.431 8.333 1.00 0.00 C ATOM 503 OE1 GLU A 30 9.242 -0.792 8.582 1.00 0.00 O ATOM 504 OE2 GLU A 30 10.199 1.182 8.708 1.00 0.00 O ATOM 0 H GLU A 30 5.659 3.281 8.712 1.00 0.00 H new ATOM 0 HA GLU A 30 5.706 1.396 6.432 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.846 1.184 9.241 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.561 -0.230 8.246 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.110 0.589 6.545 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.314 2.103 7.405 1.00 0.00 H new ATOM 511 N ALA A 31 3.685 0.197 7.132 1.00 0.00 N ATOM 512 CA ALA A 31 2.407 -0.429 7.442 1.00 0.00 C ATOM 513 C ALA A 31 2.392 -1.863 6.926 1.00 0.00 C ATOM 514 O ALA A 31 2.524 -2.098 5.724 1.00 0.00 O ATOM 515 CB ALA A 31 1.263 0.369 6.837 1.00 0.00 C ATOM 0 H ALA A 31 4.053 -0.040 6.211 1.00 0.00 H new ATOM 0 HA ALA A 31 2.276 -0.445 8.524 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.316 -0.113 7.078 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.270 1.380 7.244 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.382 0.413 5.754 1.00 0.00 H new ATOM 521 N THR A 32 2.249 -2.819 7.836 1.00 0.00 N ATOM 522 CA THR A 32 2.241 -4.227 7.458 1.00 0.00 C ATOM 523 C THR A 32 0.856 -4.699 7.037 1.00 0.00 C ATOM 524 O THR A 32 -0.134 -4.458 7.728 1.00 0.00 O ATOM 525 CB THR A 32 2.743 -5.128 8.604 1.00 0.00 C ATOM 526 OG1 THR A 32 4.068 -4.743 8.988 1.00 0.00 O ATOM 527 CG2 THR A 32 2.736 -6.593 8.182 1.00 0.00 C ATOM 0 H THR A 32 2.138 -2.647 8.835 1.00 0.00 H new ATOM 0 HA THR A 32 2.918 -4.311 6.608 1.00 0.00 H new ATOM 0 HB THR A 32 2.071 -5.006 9.453 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.378 -5.320 9.717 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.094 -7.211 9.006 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.721 -6.891 7.919 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.388 -6.726 7.319 1.00 0.00 H new ATOM 535 N ILE A 33 0.807 -5.395 5.907 1.00 0.00 N ATOM 536 CA ILE A 33 -0.440 -5.939 5.390 1.00 0.00 C ATOM 537 C ILE A 33 -0.303 -7.446 5.193 1.00 0.00 C ATOM 538 O ILE A 33 0.394 -7.899 4.285 1.00 0.00 O ATOM 539 CB ILE A 33 -0.846 -5.290 4.050 1.00 0.00 C ATOM 540 CG1 ILE A 33 -0.647 -3.774 4.105 1.00 0.00 C ATOM 541 CG2 ILE A 33 -2.294 -5.630 3.720 1.00 0.00 C ATOM 542 CD1 ILE A 33 -0.830 -3.090 2.767 1.00 0.00 C ATOM 0 H ILE A 33 1.623 -5.596 5.329 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.218 -5.719 6.121 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.207 -5.688 3.262 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.351 -3.349 4.820 1.00 0.00 H new ATOM 0 HG13 ILE A 33 0.354 -3.561 4.479 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -2.570 -5.167 2.773 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.405 -6.711 3.641 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -2.945 -5.255 4.510 1.00 0.00 H new ATOM 0 HD11 ILE A 33 -0.674 -2.017 2.882 1.00 0.00 H new ATOM 0 HD12 ILE A 33 -0.108 -3.487 2.054 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -1.840 -3.272 2.400 1.00 0.00 H new ATOM 554 N PRO A 34 -0.950 -8.247 6.054 1.00 0.00 N ATOM 555 CA PRO A 34 -0.878 -9.710 5.979 1.00 0.00 C ATOM 556 C PRO A 34 -1.498 -10.264 4.702 1.00 0.00 C ATOM 557 O PRO A 34 -2.721 -10.330 4.572 1.00 0.00 O ATOM 558 CB PRO A 34 -1.671 -10.184 7.202 1.00 0.00 C ATOM 559 CG PRO A 34 -1.792 -8.990 8.086 1.00 0.00 C ATOM 560 CD PRO A 34 -1.786 -7.798 7.178 1.00 0.00 C ATOM 0 HA PRO A 34 0.156 -10.055 5.967 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -2.653 -10.559 6.912 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -1.157 -10.999 7.711 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -2.711 -9.030 8.671 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -0.965 -8.944 8.795 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.792 -7.533 6.853 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -1.367 -6.919 7.668 1.00 0.00 H new ATOM 568 N GLY A 35 -0.644 -10.671 3.770 1.00 0.00 N ATOM 569 CA GLY A 35 -1.114 -11.231 2.517 1.00 0.00 C ATOM 570 C GLY A 35 -1.999 -10.281 1.734 1.00 0.00 C ATOM 571 O GLY A 35 -1.509 -9.472 0.946 1.00 0.00 O ATOM 0 H GLY A 35 0.371 -10.623 3.861 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.255 -11.506 1.904 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.667 -12.148 2.721 1.00 0.00 H new ATOM 575 N HIS A 36 -3.308 -10.388 1.943 1.00 0.00 N ATOM 576 CA HIS A 36 -4.263 -9.542 1.241 1.00 0.00 C ATOM 577 C HIS A 36 -5.463 -9.215 2.122 1.00 0.00 C ATOM 578 O HIS A 36 -6.269 -10.090 2.441 1.00 0.00 O ATOM 579 CB HIS A 36 -4.734 -10.235 -0.041 1.00 0.00 C ATOM 580 CG HIS A 36 -5.309 -9.301 -1.064 1.00 0.00 C ATOM 581 ND1 HIS A 36 -5.856 -9.772 -2.231 1.00 0.00 N ATOM 582 CD2 HIS A 36 -5.395 -7.947 -1.049 1.00 0.00 C ATOM 583 CE1 HIS A 36 -6.261 -8.707 -2.898 1.00 0.00 C ATOM 584 NE2 HIS A 36 -6.004 -7.578 -2.222 1.00 0.00 N ATOM 0 H HIS A 36 -3.730 -11.052 2.592 1.00 0.00 H new ATOM 0 HA HIS A 36 -3.762 -8.608 0.987 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -3.893 -10.768 -0.483 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.485 -10.982 0.217 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -5.051 -7.288 -0.266 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -6.739 -8.741 -3.866 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -6.220 -6.627 -2.522 1.00 0.00 H new ATOM 592 N LEU A 37 -5.577 -7.948 2.507 1.00 0.00 N ATOM 593 CA LEU A 37 -6.683 -7.501 3.345 1.00 0.00 C ATOM 594 C LEU A 37 -7.918 -7.221 2.496 1.00 0.00 C ATOM 595 O LEU A 37 -8.979 -6.886 3.025 1.00 0.00 O ATOM 596 CB LEU A 37 -6.291 -6.241 4.124 1.00 0.00 C ATOM 597 CG LEU A 37 -6.336 -6.374 5.651 1.00 0.00 C ATOM 598 CD1 LEU A 37 -7.646 -7.003 6.103 1.00 0.00 C ATOM 599 CD2 LEU A 37 -5.153 -7.187 6.148 1.00 0.00 C ATOM 0 H LEU A 37 -4.917 -7.213 2.252 1.00 0.00 H new ATOM 0 HA LEU A 37 -6.915 -8.296 4.054 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -5.282 -5.952 3.831 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.955 -5.429 3.827 1.00 0.00 H new ATOM 0 HG LEU A 37 -6.275 -5.375 6.082 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -7.654 -7.087 7.190 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.480 -6.379 5.781 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -7.744 -7.995 5.662 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.200 -7.272 7.234 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -5.184 -8.182 5.705 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -4.225 -6.691 5.863 1.00 0.00 H new ATOM 611 N ASN A 38 -7.757 -7.355 1.178 1.00 0.00 N ATOM 612 CA ASN A 38 -8.838 -7.116 0.220 1.00 0.00 C ATOM 613 C ASN A 38 -9.083 -5.622 0.039 1.00 0.00 C ATOM 614 O ASN A 38 -8.884 -5.080 -1.049 1.00 0.00 O ATOM 615 CB ASN A 38 -10.127 -7.818 0.658 1.00 0.00 C ATOM 616 CG ASN A 38 -10.839 -8.493 -0.497 1.00 0.00 C ATOM 617 OD1 ASN A 38 -12.061 -8.415 -0.621 1.00 0.00 O ATOM 618 ND2 ASN A 38 -10.075 -9.164 -1.351 1.00 0.00 N ATOM 0 H ASN A 38 -6.876 -7.632 0.746 1.00 0.00 H new ATOM 0 HA ASN A 38 -8.530 -7.534 -0.738 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -9.892 -8.561 1.420 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -10.796 -7.090 1.118 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -10.498 -9.641 -2.148 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -9.065 -9.203 -1.210 1.00 0.00 H new ATOM 625 N SER A 39 -9.508 -4.957 1.109 1.00 0.00 N ATOM 626 CA SER A 39 -9.770 -3.524 1.060 1.00 0.00 C ATOM 627 C SER A 39 -9.011 -2.796 2.165 1.00 0.00 C ATOM 628 O SER A 39 -9.387 -2.857 3.336 1.00 0.00 O ATOM 629 CB SER A 39 -11.271 -3.255 1.185 1.00 0.00 C ATOM 630 OG SER A 39 -11.758 -2.549 0.056 1.00 0.00 O ATOM 0 H SER A 39 -9.678 -5.387 2.018 1.00 0.00 H new ATOM 0 HA SER A 39 -9.422 -3.146 0.099 1.00 0.00 H new ATOM 0 HB2 SER A 39 -11.806 -4.199 1.286 1.00 0.00 H new ATOM 0 HB3 SER A 39 -11.467 -2.680 2.090 1.00 0.00 H new ATOM 0 HG SER A 39 -12.720 -2.391 0.159 1.00 0.00 H new ATOM 636 N TYR A 40 -7.941 -2.104 1.780 1.00 0.00 N ATOM 637 CA TYR A 40 -7.124 -1.357 2.730 1.00 0.00 C ATOM 638 C TYR A 40 -6.974 0.093 2.284 1.00 0.00 C ATOM 639 O TYR A 40 -6.380 0.373 1.242 1.00 0.00 O ATOM 640 CB TYR A 40 -5.742 -2.002 2.875 1.00 0.00 C ATOM 641 CG TYR A 40 -4.878 -1.351 3.933 1.00 0.00 C ATOM 642 CD1 TYR A 40 -4.954 -1.751 5.261 1.00 0.00 C ATOM 643 CD2 TYR A 40 -3.988 -0.335 3.603 1.00 0.00 C ATOM 644 CE1 TYR A 40 -4.167 -1.157 6.230 1.00 0.00 C ATOM 645 CE2 TYR A 40 -3.198 0.263 4.567 1.00 0.00 C ATOM 646 CZ TYR A 40 -3.291 -0.151 5.879 1.00 0.00 C ATOM 647 OH TYR A 40 -2.506 0.441 6.841 1.00 0.00 O ATOM 0 H TYR A 40 -7.620 -2.046 0.814 1.00 0.00 H new ATOM 0 HA TYR A 40 -7.626 -1.378 3.697 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -5.866 -3.057 3.118 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -5.226 -1.954 1.916 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -5.638 -2.538 5.541 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -3.913 -0.008 2.577 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -4.238 -1.480 7.258 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -2.511 1.051 4.294 1.00 0.00 H new ATOM 0 HH TYR A 40 -1.945 1.130 6.427 1.00 0.00 H new ATOM 657 N THR A 41 -7.517 1.011 3.076 1.00 0.00 N ATOM 658 CA THR A 41 -7.444 2.432 2.759 1.00 0.00 C ATOM 659 C THR A 41 -6.735 3.209 3.863 1.00 0.00 C ATOM 660 O THR A 41 -6.877 2.896 5.046 1.00 0.00 O ATOM 661 CB THR A 41 -8.847 3.031 2.547 1.00 0.00 C ATOM 662 OG1 THR A 41 -8.763 4.458 2.459 1.00 0.00 O ATOM 663 CG2 THR A 41 -9.779 2.643 3.685 1.00 0.00 C ATOM 0 H THR A 41 -8.012 0.796 3.942 1.00 0.00 H new ATOM 0 HA THR A 41 -6.873 2.520 1.834 1.00 0.00 H new ATOM 0 HB THR A 41 -9.250 2.633 1.616 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.659 4.831 2.323 1.00 0.00 H new ATOM 0 HG21 THR A 41 -10.764 3.078 3.513 1.00 0.00 H new ATOM 0 HG22 THR A 41 -9.865 1.557 3.731 1.00 0.00 H new ATOM 0 HG23 THR A 41 -9.377 3.016 4.627 1.00 0.00 H new ATOM 671 N ILE A 42 -5.979 4.228 3.467 1.00 0.00 N ATOM 672 CA ILE A 42 -5.254 5.059 4.418 1.00 0.00 C ATOM 673 C ILE A 42 -6.072 6.293 4.781 1.00 0.00 C ATOM 674 O ILE A 42 -6.615 6.965 3.905 1.00 0.00 O ATOM 675 CB ILE A 42 -3.890 5.506 3.857 1.00 0.00 C ATOM 676 CG1 ILE A 42 -3.118 4.304 3.312 1.00 0.00 C ATOM 677 CG2 ILE A 42 -3.081 6.216 4.933 1.00 0.00 C ATOM 678 CD1 ILE A 42 -2.050 4.676 2.307 1.00 0.00 C ATOM 0 H ILE A 42 -5.853 4.498 2.491 1.00 0.00 H new ATOM 0 HA ILE A 42 -5.083 4.454 5.309 1.00 0.00 H new ATOM 0 HB ILE A 42 -4.063 6.204 3.038 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.654 3.773 4.143 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -3.820 3.613 2.845 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -2.120 6.525 4.521 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -3.627 7.094 5.279 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.915 5.538 5.770 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.544 3.774 1.964 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -2.510 5.180 1.457 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -1.326 5.343 2.775 1.00 0.00 H new ATOM 690 N LYS A 43 -6.165 6.580 6.074 1.00 0.00 N ATOM 691 CA LYS A 43 -6.928 7.729 6.543 1.00 0.00 C ATOM 692 C LYS A 43 -6.013 8.792 7.143 1.00 0.00 C ATOM 693 O LYS A 43 -4.919 8.488 7.618 1.00 0.00 O ATOM 694 CB LYS A 43 -7.961 7.285 7.578 1.00 0.00 C ATOM 695 CG LYS A 43 -8.880 6.178 7.088 1.00 0.00 C ATOM 696 CD LYS A 43 -8.849 4.974 8.017 1.00 0.00 C ATOM 697 CE LYS A 43 -10.150 4.829 8.788 1.00 0.00 C ATOM 698 NZ LYS A 43 -10.150 5.642 10.037 1.00 0.00 N ATOM 0 H LYS A 43 -5.723 6.035 6.814 1.00 0.00 H new ATOM 0 HA LYS A 43 -7.440 8.167 5.686 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -7.442 6.944 8.474 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.565 8.145 7.868 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.900 6.556 7.015 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -8.581 5.873 6.085 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.667 4.070 7.436 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.020 5.075 8.717 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -10.983 5.136 8.155 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.309 3.780 9.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.055 5.515 10.534 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -9.371 5.333 10.653 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -10.024 6.646 9.798 1.00 0.00 H new ATOM 712 N GLY A 44 -6.471 10.040 7.116 1.00 0.00 N ATOM 713 CA GLY A 44 -5.686 11.133 7.660 1.00 0.00 C ATOM 714 C GLY A 44 -4.892 11.867 6.597 1.00 0.00 C ATOM 715 O GLY A 44 -3.755 12.274 6.834 1.00 0.00 O ATOM 0 H GLY A 44 -7.373 10.314 6.726 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -6.349 11.837 8.163 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -5.003 10.744 8.415 1.00 0.00 H new ATOM 719 N LEU A 45 -5.492 12.037 5.421 1.00 0.00 N ATOM 720 CA LEU A 45 -4.828 12.728 4.320 1.00 0.00 C ATOM 721 C LEU A 45 -5.698 13.863 3.784 1.00 0.00 C ATOM 722 O LEU A 45 -6.862 13.998 4.163 1.00 0.00 O ATOM 723 CB LEU A 45 -4.489 11.745 3.194 1.00 0.00 C ATOM 724 CG LEU A 45 -4.521 10.264 3.580 1.00 0.00 C ATOM 725 CD1 LEU A 45 -4.575 9.391 2.335 1.00 0.00 C ATOM 726 CD2 LEU A 45 -3.309 9.907 4.429 1.00 0.00 C ATOM 0 H LEU A 45 -6.433 11.707 5.207 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.901 13.157 4.702 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.189 11.904 2.374 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.495 11.982 2.815 1.00 0.00 H new ATOM 0 HG LEU A 45 -5.419 10.081 4.169 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.597 8.341 2.627 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.472 9.628 1.763 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -3.694 9.578 1.721 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.349 8.850 4.694 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -2.398 10.105 3.864 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -3.311 10.509 5.338 1.00 0.00 H new ATOM 738 N LYS A 46 -5.123 14.681 2.904 1.00 0.00 N ATOM 739 CA LYS A 46 -5.842 15.811 2.319 1.00 0.00 C ATOM 740 C LYS A 46 -5.332 16.111 0.907 1.00 0.00 C ATOM 741 O LYS A 46 -4.125 16.127 0.668 1.00 0.00 O ATOM 742 CB LYS A 46 -5.696 17.046 3.223 1.00 0.00 C ATOM 743 CG LYS A 46 -5.476 18.357 2.479 1.00 0.00 C ATOM 744 CD LYS A 46 -4.090 18.921 2.742 1.00 0.00 C ATOM 745 CE LYS A 46 -4.157 20.210 3.547 1.00 0.00 C ATOM 746 NZ LYS A 46 -3.213 20.195 4.699 1.00 0.00 N ATOM 0 H LYS A 46 -4.161 14.582 2.580 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.898 15.552 2.243 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.592 17.138 3.837 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.859 16.885 3.903 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -5.607 18.196 1.409 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.229 19.082 2.787 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -3.493 18.185 3.280 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.586 19.109 1.794 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.925 21.055 2.899 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -5.173 20.357 3.912 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.289 21.091 5.222 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -3.449 19.404 5.331 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -2.240 20.080 4.349 1.00 0.00 H new ATOM 760 N PRO A 47 -6.247 16.358 -0.050 1.00 0.00 N ATOM 761 CA PRO A 47 -5.879 16.658 -1.440 1.00 0.00 C ATOM 762 C PRO A 47 -4.898 17.822 -1.544 1.00 0.00 C ATOM 763 O PRO A 47 -4.803 18.650 -0.637 1.00 0.00 O ATOM 764 CB PRO A 47 -7.213 17.024 -2.097 1.00 0.00 C ATOM 765 CG PRO A 47 -8.247 16.357 -1.258 1.00 0.00 C ATOM 766 CD PRO A 47 -7.710 16.365 0.145 1.00 0.00 C ATOM 0 HA PRO A 47 -5.374 15.816 -1.914 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.359 18.104 -2.120 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -7.255 16.674 -3.129 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -9.197 16.888 -1.315 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -8.430 15.338 -1.600 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -8.038 17.246 0.696 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -8.045 15.494 0.709 1.00 0.00 H new ATOM 774 N GLY A 48 -4.170 17.881 -2.656 1.00 0.00 N ATOM 775 CA GLY A 48 -3.206 18.948 -2.860 1.00 0.00 C ATOM 776 C GLY A 48 -1.774 18.449 -2.854 1.00 0.00 C ATOM 777 O GLY A 48 -1.062 18.569 -3.851 1.00 0.00 O ATOM 0 H GLY A 48 -4.231 17.208 -3.420 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -3.411 19.441 -3.810 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.329 19.698 -2.079 1.00 0.00 H new ATOM 781 N VAL A 49 -1.351 17.889 -1.725 1.00 0.00 N ATOM 782 CA VAL A 49 0.006 17.369 -1.584 1.00 0.00 C ATOM 783 C VAL A 49 0.155 16.021 -2.283 1.00 0.00 C ATOM 784 O VAL A 49 -0.677 15.129 -2.119 1.00 0.00 O ATOM 785 CB VAL A 49 0.398 17.222 -0.094 1.00 0.00 C ATOM 786 CG1 VAL A 49 -0.797 16.759 0.727 1.00 0.00 C ATOM 787 CG2 VAL A 49 1.579 16.267 0.084 1.00 0.00 C ATOM 0 H VAL A 49 -1.930 17.783 -0.892 1.00 0.00 H new ATOM 0 HA VAL A 49 0.675 18.089 -2.056 1.00 0.00 H new ATOM 0 HB VAL A 49 0.711 18.202 0.267 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -0.504 16.661 1.772 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -1.601 17.490 0.643 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -1.142 15.795 0.355 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.827 16.188 1.143 1.00 0.00 H new ATOM 0 HG22 VAL A 49 1.312 15.283 -0.301 1.00 0.00 H new ATOM 0 HG23 VAL A 49 2.441 16.649 -0.463 1.00 0.00 H new ATOM 797 N VAL A 50 1.231 15.876 -3.053 1.00 0.00 N ATOM 798 CA VAL A 50 1.501 14.633 -3.762 1.00 0.00 C ATOM 799 C VAL A 50 2.185 13.638 -2.830 1.00 0.00 C ATOM 800 O VAL A 50 2.966 14.028 -1.962 1.00 0.00 O ATOM 801 CB VAL A 50 2.378 14.872 -5.009 1.00 0.00 C ATOM 802 CG1 VAL A 50 3.652 15.610 -4.634 1.00 0.00 C ATOM 803 CG2 VAL A 50 2.697 13.557 -5.706 1.00 0.00 C ATOM 0 H VAL A 50 1.929 16.605 -3.200 1.00 0.00 H new ATOM 0 HA VAL A 50 0.547 14.224 -4.095 1.00 0.00 H new ATOM 0 HB VAL A 50 1.818 15.495 -5.706 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.257 15.769 -5.527 1.00 0.00 H new ATOM 0 HG12 VAL A 50 3.398 16.573 -4.192 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.217 15.018 -3.914 1.00 0.00 H new ATOM 0 HG21 VAL A 50 3.316 13.750 -6.582 1.00 0.00 H new ATOM 0 HG22 VAL A 50 3.234 12.902 -5.020 1.00 0.00 H new ATOM 0 HG23 VAL A 50 1.770 13.075 -6.016 1.00 0.00 H new ATOM 813 N TYR A 51 1.872 12.358 -2.995 1.00 0.00 N ATOM 814 CA TYR A 51 2.444 11.319 -2.145 1.00 0.00 C ATOM 815 C TYR A 51 3.122 10.226 -2.961 1.00 0.00 C ATOM 816 O TYR A 51 2.592 9.772 -3.974 1.00 0.00 O ATOM 817 CB TYR A 51 1.344 10.682 -1.286 1.00 0.00 C ATOM 818 CG TYR A 51 1.622 10.650 0.207 1.00 0.00 C ATOM 819 CD1 TYR A 51 2.904 10.817 0.718 1.00 0.00 C ATOM 820 CD2 TYR A 51 0.582 10.458 1.106 1.00 0.00 C ATOM 821 CE1 TYR A 51 3.137 10.794 2.080 1.00 0.00 C ATOM 822 CE2 TYR A 51 0.807 10.437 2.469 1.00 0.00 C ATOM 823 CZ TYR A 51 2.087 10.606 2.950 1.00 0.00 C ATOM 824 OH TYR A 51 2.319 10.583 4.306 1.00 0.00 O ATOM 0 H TYR A 51 1.227 12.015 -3.707 1.00 0.00 H new ATOM 0 HA TYR A 51 3.195 11.795 -1.514 1.00 0.00 H new ATOM 0 HB2 TYR A 51 0.414 11.226 -1.454 1.00 0.00 H new ATOM 0 HB3 TYR A 51 1.183 9.661 -1.631 1.00 0.00 H new ATOM 0 HD1 TYR A 51 3.731 10.967 0.040 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -0.422 10.322 0.733 1.00 0.00 H new ATOM 0 HE1 TYR A 51 4.139 10.923 2.460 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -0.015 10.289 3.153 1.00 0.00 H new ATOM 0 HH TYR A 51 1.473 10.442 4.780 1.00 0.00 H new ATOM 834 N GLU A 52 4.276 9.775 -2.483 1.00 0.00 N ATOM 835 CA GLU A 52 5.003 8.694 -3.136 1.00 0.00 C ATOM 836 C GLU A 52 4.825 7.430 -2.306 1.00 0.00 C ATOM 837 O GLU A 52 5.018 7.457 -1.093 1.00 0.00 O ATOM 838 CB GLU A 52 6.488 9.040 -3.272 1.00 0.00 C ATOM 839 CG GLU A 52 7.351 7.864 -3.702 1.00 0.00 C ATOM 840 CD GLU A 52 6.973 7.329 -5.069 1.00 0.00 C ATOM 841 OE1 GLU A 52 7.237 8.023 -6.073 1.00 0.00 O ATOM 842 OE2 GLU A 52 6.414 6.214 -5.135 1.00 0.00 O ATOM 0 H GLU A 52 4.728 10.142 -1.645 1.00 0.00 H new ATOM 0 HA GLU A 52 4.609 8.541 -4.141 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.600 9.846 -3.997 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.853 9.418 -2.317 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.397 8.171 -3.713 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.261 7.065 -2.966 1.00 0.00 H new ATOM 849 N GLY A 53 4.428 6.334 -2.945 1.00 0.00 N ATOM 850 CA GLY A 53 4.203 5.106 -2.202 1.00 0.00 C ATOM 851 C GLY A 53 5.010 3.923 -2.694 1.00 0.00 C ATOM 852 O GLY A 53 5.240 3.762 -3.893 1.00 0.00 O ATOM 0 H GLY A 53 4.260 6.273 -3.949 1.00 0.00 H new ATOM 0 HA2 GLY A 53 4.440 5.281 -1.153 1.00 0.00 H new ATOM 0 HA3 GLY A 53 3.144 4.854 -2.252 1.00 0.00 H new ATOM 856 N GLN A 54 5.423 3.087 -1.748 1.00 0.00 N ATOM 857 CA GLN A 54 6.194 1.886 -2.051 1.00 0.00 C ATOM 858 C GLN A 54 5.630 0.687 -1.293 1.00 0.00 C ATOM 859 O GLN A 54 5.421 0.753 -0.084 1.00 0.00 O ATOM 860 CB GLN A 54 7.667 2.091 -1.688 1.00 0.00 C ATOM 861 CG GLN A 54 8.491 2.698 -2.812 1.00 0.00 C ATOM 862 CD GLN A 54 9.820 1.994 -3.008 1.00 0.00 C ATOM 863 OE1 GLN A 54 10.199 1.127 -2.221 1.00 0.00 O ATOM 864 NE2 GLN A 54 10.538 2.368 -4.061 1.00 0.00 N ATOM 0 H GLN A 54 5.234 3.221 -0.755 1.00 0.00 H new ATOM 0 HA GLN A 54 6.121 1.691 -3.121 1.00 0.00 H new ATOM 0 HB2 GLN A 54 7.730 2.737 -0.812 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.101 1.131 -1.408 1.00 0.00 H new ATOM 0 HG2 GLN A 54 7.921 2.654 -3.740 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.670 3.752 -2.598 1.00 0.00 H new ATOM 0 HE21 GLN A 54 10.185 3.091 -4.688 1.00 0.00 H new ATOM 0 HE22 GLN A 54 11.442 1.932 -4.243 1.00 0.00 H new ATOM 873 N LEU A 55 5.379 -0.407 -2.006 1.00 0.00 N ATOM 874 CA LEU A 55 4.833 -1.611 -1.387 1.00 0.00 C ATOM 875 C LEU A 55 5.724 -2.818 -1.675 1.00 0.00 C ATOM 876 O LEU A 55 5.756 -3.326 -2.795 1.00 0.00 O ATOM 877 CB LEU A 55 3.411 -1.860 -1.904 1.00 0.00 C ATOM 878 CG LEU A 55 2.495 -2.690 -0.994 1.00 0.00 C ATOM 879 CD1 LEU A 55 2.731 -2.369 0.475 1.00 0.00 C ATOM 880 CD2 LEU A 55 1.038 -2.452 -1.360 1.00 0.00 C ATOM 0 H LEU A 55 5.544 -0.485 -3.010 1.00 0.00 H new ATOM 0 HA LEU A 55 4.799 -1.466 -0.307 1.00 0.00 H new ATOM 0 HB2 LEU A 55 2.936 -0.895 -2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 55 3.480 -2.361 -2.869 1.00 0.00 H new ATOM 0 HG LEU A 55 2.734 -3.743 -1.147 1.00 0.00 H new ATOM 0 HD11 LEU A 55 2.066 -2.974 1.091 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.767 -2.590 0.734 1.00 0.00 H new ATOM 0 HD13 LEU A 55 2.530 -1.313 0.654 1.00 0.00 H new ATOM 0 HD21 LEU A 55 0.397 -3.046 -0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 55 0.800 -1.395 -1.238 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.871 -2.744 -2.397 1.00 0.00 H new ATOM 892 N ILE A 56 6.454 -3.265 -0.655 1.00 0.00 N ATOM 893 CA ILE A 56 7.357 -4.403 -0.796 1.00 0.00 C ATOM 894 C ILE A 56 6.942 -5.573 0.090 1.00 0.00 C ATOM 895 O ILE A 56 6.969 -5.474 1.317 1.00 0.00 O ATOM 896 CB ILE A 56 8.802 -4.010 -0.440 1.00 0.00 C ATOM 897 CG1 ILE A 56 9.309 -2.929 -1.397 1.00 0.00 C ATOM 898 CG2 ILE A 56 9.715 -5.228 -0.482 1.00 0.00 C ATOM 899 CD1 ILE A 56 9.287 -1.537 -0.806 1.00 0.00 C ATOM 0 H ILE A 56 6.437 -2.855 0.279 1.00 0.00 H new ATOM 0 HA ILE A 56 7.302 -4.711 -1.840 1.00 0.00 H new ATOM 0 HB ILE A 56 8.811 -3.610 0.574 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.329 -3.171 -1.697 1.00 0.00 H new ATOM 0 HG13 ILE A 56 8.699 -2.941 -2.300 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.732 -4.929 -0.227 1.00 0.00 H new ATOM 0 HG22 ILE A 56 9.365 -5.970 0.235 1.00 0.00 H new ATOM 0 HG23 ILE A 56 9.703 -5.657 -1.484 1.00 0.00 H new ATOM 0 HD11 ILE A 56 9.660 -0.824 -1.541 1.00 0.00 H new ATOM 0 HD12 ILE A 56 8.265 -1.274 -0.531 1.00 0.00 H new ATOM 0 HD13 ILE A 56 9.920 -1.508 0.081 1.00 0.00 H new ATOM 911 N SER A 57 6.581 -6.683 -0.538 1.00 0.00 N ATOM 912 CA SER A 57 6.182 -7.880 0.188 1.00 0.00 C ATOM 913 C SER A 57 7.408 -8.672 0.627 1.00 0.00 C ATOM 914 O SER A 57 8.278 -8.988 -0.184 1.00 0.00 O ATOM 915 CB SER A 57 5.284 -8.752 -0.685 1.00 0.00 C ATOM 916 OG SER A 57 4.204 -9.285 0.061 1.00 0.00 O ATOM 0 H SER A 57 6.556 -6.779 -1.553 1.00 0.00 H new ATOM 0 HA SER A 57 5.627 -7.575 1.075 1.00 0.00 H new ATOM 0 HB2 SER A 57 4.899 -8.163 -1.517 1.00 0.00 H new ATOM 0 HB3 SER A 57 5.869 -9.565 -1.114 1.00 0.00 H new ATOM 0 HG SER A 57 3.382 -8.799 -0.160 1.00 0.00 H new ATOM 922 N ILE A 58 7.470 -8.985 1.914 1.00 0.00 N ATOM 923 CA ILE A 58 8.591 -9.733 2.467 1.00 0.00 C ATOM 924 C ILE A 58 8.156 -11.119 2.935 1.00 0.00 C ATOM 925 O ILE A 58 7.244 -11.253 3.753 1.00 0.00 O ATOM 926 CB ILE A 58 9.236 -8.983 3.646 1.00 0.00 C ATOM 927 CG1 ILE A 58 9.693 -7.590 3.200 1.00 0.00 C ATOM 928 CG2 ILE A 58 10.400 -9.783 4.219 1.00 0.00 C ATOM 929 CD1 ILE A 58 10.952 -7.589 2.357 1.00 0.00 C ATOM 0 H ILE A 58 6.755 -8.732 2.596 1.00 0.00 H new ATOM 0 HA ILE A 58 9.324 -9.840 1.667 1.00 0.00 H new ATOM 0 HB ILE A 58 8.492 -8.864 4.434 1.00 0.00 H new ATOM 0 HG12 ILE A 58 8.889 -7.121 2.633 1.00 0.00 H new ATOM 0 HG13 ILE A 58 9.861 -6.975 4.084 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.843 -9.236 5.051 1.00 0.00 H new ATOM 0 HG22 ILE A 58 10.039 -10.749 4.571 1.00 0.00 H new ATOM 0 HG23 ILE A 58 11.152 -9.937 3.445 1.00 0.00 H new ATOM 0 HD11 ILE A 58 11.206 -6.565 2.084 1.00 0.00 H new ATOM 0 HD12 ILE A 58 11.772 -8.027 2.927 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.785 -8.175 1.453 1.00 0.00 H new ATOM 941 N GLN A 59 8.820 -12.145 2.414 1.00 0.00 N ATOM 942 CA GLN A 59 8.512 -13.522 2.781 1.00 0.00 C ATOM 943 C GLN A 59 9.583 -14.084 3.709 1.00 0.00 C ATOM 944 O GLN A 59 10.514 -13.378 4.095 1.00 0.00 O ATOM 945 CB GLN A 59 8.393 -14.394 1.530 1.00 0.00 C ATOM 946 CG GLN A 59 6.972 -14.855 1.245 1.00 0.00 C ATOM 947 CD GLN A 59 6.640 -16.175 1.916 1.00 0.00 C ATOM 948 OE1 GLN A 59 6.748 -16.309 3.134 1.00 0.00 O ATOM 949 NE2 GLN A 59 6.229 -17.156 1.121 1.00 0.00 N ATOM 0 H GLN A 59 9.576 -12.049 1.736 1.00 0.00 H new ATOM 0 HA GLN A 59 7.557 -13.529 3.307 1.00 0.00 H new ATOM 0 HB2 GLN A 59 8.765 -13.836 0.671 1.00 0.00 H new ATOM 0 HB3 GLN A 59 9.034 -15.268 1.644 1.00 0.00 H new ATOM 0 HG2 GLN A 59 6.272 -14.092 1.586 1.00 0.00 H new ATOM 0 HG3 GLN A 59 6.836 -14.955 0.168 1.00 0.00 H new ATOM 0 HE21 GLN A 59 6.154 -17.000 0.116 1.00 0.00 H new ATOM 0 HE22 GLN A 59 5.988 -18.065 1.516 1.00 0.00 H new ATOM 958 N GLN A 60 9.443 -15.356 4.066 1.00 0.00 N ATOM 959 CA GLN A 60 10.399 -16.012 4.951 1.00 0.00 C ATOM 960 C GLN A 60 11.765 -16.139 4.282 1.00 0.00 C ATOM 961 O GLN A 60 12.763 -16.434 4.940 1.00 0.00 O ATOM 962 CB GLN A 60 9.887 -17.395 5.356 1.00 0.00 C ATOM 963 CG GLN A 60 8.388 -17.442 5.606 1.00 0.00 C ATOM 964 CD GLN A 60 8.015 -18.381 6.736 1.00 0.00 C ATOM 965 OE1 GLN A 60 8.180 -19.596 6.628 1.00 0.00 O ATOM 966 NE2 GLN A 60 7.508 -17.821 7.827 1.00 0.00 N ATOM 0 H GLN A 60 8.677 -15.954 3.756 1.00 0.00 H new ATOM 0 HA GLN A 60 10.508 -15.397 5.844 1.00 0.00 H new ATOM 0 HB2 GLN A 60 10.138 -18.110 4.572 1.00 0.00 H new ATOM 0 HB3 GLN A 60 10.407 -17.715 6.259 1.00 0.00 H new ATOM 0 HG2 GLN A 60 8.031 -16.439 5.839 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.881 -17.757 4.694 1.00 0.00 H new ATOM 0 HE21 GLN A 60 7.389 -16.809 7.873 1.00 0.00 H new ATOM 0 HE22 GLN A 60 7.237 -18.403 8.620 1.00 0.00 H new ATOM 975 N TYR A 61 11.801 -15.917 2.972 1.00 0.00 N ATOM 976 CA TYR A 61 13.044 -16.010 2.213 1.00 0.00 C ATOM 977 C TYR A 61 13.604 -14.622 1.907 1.00 0.00 C ATOM 978 O TYR A 61 14.675 -14.494 1.313 1.00 0.00 O ATOM 979 CB TYR A 61 12.816 -16.777 0.909 1.00 0.00 C ATOM 980 CG TYR A 61 11.815 -17.906 1.030 1.00 0.00 C ATOM 981 CD1 TYR A 61 12.187 -19.141 1.545 1.00 0.00 C ATOM 982 CD2 TYR A 61 10.496 -17.733 0.630 1.00 0.00 C ATOM 983 CE1 TYR A 61 11.274 -20.173 1.656 1.00 0.00 C ATOM 984 CE2 TYR A 61 9.576 -18.759 0.739 1.00 0.00 C ATOM 985 CZ TYR A 61 9.971 -19.977 1.252 1.00 0.00 C ATOM 986 OH TYR A 61 9.059 -21.001 1.362 1.00 0.00 O ATOM 0 H TYR A 61 10.984 -15.671 2.413 1.00 0.00 H new ATOM 0 HA TYR A 61 13.770 -16.549 2.822 1.00 0.00 H new ATOM 0 HB2 TYR A 61 12.473 -16.080 0.144 1.00 0.00 H new ATOM 0 HB3 TYR A 61 13.768 -17.183 0.566 1.00 0.00 H new ATOM 0 HD1 TYR A 61 13.207 -19.298 1.864 1.00 0.00 H new ATOM 0 HD2 TYR A 61 10.184 -16.781 0.227 1.00 0.00 H new ATOM 0 HE1 TYR A 61 11.580 -21.128 2.057 1.00 0.00 H new ATOM 0 HE2 TYR A 61 8.554 -18.608 0.424 1.00 0.00 H new ATOM 0 HH TYR A 61 8.186 -20.698 1.035 1.00 0.00 H new ATOM 996 N GLY A 62 12.873 -13.588 2.316 1.00 0.00 N ATOM 997 CA GLY A 62 13.314 -12.225 2.076 1.00 0.00 C ATOM 998 C GLY A 62 12.394 -11.477 1.131 1.00 0.00 C ATOM 999 O GLY A 62 11.283 -11.926 0.853 1.00 0.00 O ATOM 0 H GLY A 62 11.984 -13.670 2.809 1.00 0.00 H new ATOM 0 HA2 GLY A 62 13.368 -11.691 3.025 1.00 0.00 H new ATOM 0 HA3 GLY A 62 14.322 -12.240 1.661 1.00 0.00 H new ATOM 1003 N HIS A 63 12.857 -10.332 0.634 1.00 0.00 N ATOM 1004 CA HIS A 63 12.067 -9.522 -0.286 1.00 0.00 C ATOM 1005 C HIS A 63 11.829 -10.269 -1.594 1.00 0.00 C ATOM 1006 O HIS A 63 12.717 -10.956 -2.097 1.00 0.00 O ATOM 1007 CB HIS A 63 12.767 -8.191 -0.564 1.00 0.00 C ATOM 1008 CG HIS A 63 14.169 -8.344 -1.069 1.00 0.00 C ATOM 1009 ND1 HIS A 63 15.147 -8.925 -0.301 1.00 0.00 N ATOM 1010 CD2 HIS A 63 14.700 -7.978 -2.261 1.00 0.00 C ATOM 1011 CE1 HIS A 63 16.245 -8.900 -1.034 1.00 0.00 C ATOM 1012 NE2 HIS A 63 16.024 -8.335 -2.231 1.00 0.00 N ATOM 0 H HIS A 63 13.775 -9.946 0.854 1.00 0.00 H new ATOM 0 HA HIS A 63 11.103 -9.322 0.181 1.00 0.00 H new ATOM 0 HB2 HIS A 63 12.185 -7.630 -1.296 1.00 0.00 H new ATOM 0 HB3 HIS A 63 12.782 -7.600 0.352 1.00 0.00 H new ATOM 0 HD2 HIS A 63 14.181 -7.498 -3.077 1.00 0.00 H new ATOM 0 HE1 HIS A 63 17.201 -9.286 -0.711 1.00 0.00 H new ATOM 0 HE2 HIS A 63 16.708 -8.198 -2.975 1.00 0.00 H new ATOM 1020 N GLN A 64 10.623 -10.132 -2.139 1.00 0.00 N ATOM 1021 CA GLN A 64 10.273 -10.802 -3.387 1.00 0.00 C ATOM 1022 C GLN A 64 9.370 -9.928 -4.250 1.00 0.00 C ATOM 1023 O GLN A 64 9.640 -9.716 -5.433 1.00 0.00 O ATOM 1024 CB GLN A 64 9.579 -12.140 -3.110 1.00 0.00 C ATOM 1025 CG GLN A 64 9.592 -12.555 -1.648 1.00 0.00 C ATOM 1026 CD GLN A 64 10.550 -13.699 -1.378 1.00 0.00 C ATOM 1027 OE1 GLN A 64 11.768 -13.538 -1.465 1.00 0.00 O ATOM 1028 NE2 GLN A 64 10.004 -14.863 -1.051 1.00 0.00 N ATOM 0 H GLN A 64 9.875 -9.566 -1.738 1.00 0.00 H new ATOM 0 HA GLN A 64 11.201 -10.986 -3.929 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.545 -12.078 -3.450 1.00 0.00 H new ATOM 0 HB3 GLN A 64 10.063 -12.917 -3.702 1.00 0.00 H new ATOM 0 HG2 GLN A 64 9.871 -11.699 -1.033 1.00 0.00 H new ATOM 0 HG3 GLN A 64 8.586 -12.849 -1.348 1.00 0.00 H new ATOM 0 HE21 GLN A 64 8.990 -14.951 -0.991 1.00 0.00 H new ATOM 0 HE22 GLN A 64 10.599 -15.669 -0.860 1.00 0.00 H new ATOM 1037 N GLU A 65 8.289 -9.432 -3.656 1.00 0.00 N ATOM 1038 CA GLU A 65 7.337 -8.592 -4.373 1.00 0.00 C ATOM 1039 C GLU A 65 7.604 -7.111 -4.128 1.00 0.00 C ATOM 1040 O GLU A 65 7.674 -6.663 -2.985 1.00 0.00 O ATOM 1041 CB GLU A 65 5.910 -8.940 -3.950 1.00 0.00 C ATOM 1042 CG GLU A 65 4.970 -9.188 -5.119 1.00 0.00 C ATOM 1043 CD GLU A 65 3.669 -9.837 -4.694 1.00 0.00 C ATOM 1044 OE1 GLU A 65 3.701 -11.012 -4.271 1.00 0.00 O ATOM 1045 OE2 GLU A 65 2.615 -9.172 -4.785 1.00 0.00 O ATOM 0 H GLU A 65 8.051 -9.598 -2.678 1.00 0.00 H new ATOM 0 HA GLU A 65 7.458 -8.784 -5.439 1.00 0.00 H new ATOM 0 HB2 GLU A 65 5.934 -9.829 -3.319 1.00 0.00 H new ATOM 0 HB3 GLU A 65 5.512 -8.128 -3.341 1.00 0.00 H new ATOM 0 HG2 GLU A 65 4.754 -8.241 -5.614 1.00 0.00 H new ATOM 0 HG3 GLU A 65 5.467 -9.825 -5.851 1.00 0.00 H new ATOM 1052 N VAL A 66 7.754 -6.356 -5.209 1.00 0.00 N ATOM 1053 CA VAL A 66 8.010 -4.923 -5.114 1.00 0.00 C ATOM 1054 C VAL A 66 7.143 -4.148 -6.108 1.00 0.00 C ATOM 1055 O VAL A 66 7.187 -4.400 -7.312 1.00 0.00 O ATOM 1056 CB VAL A 66 9.500 -4.607 -5.355 1.00 0.00 C ATOM 1057 CG1 VAL A 66 10.086 -5.569 -6.374 1.00 0.00 C ATOM 1058 CG2 VAL A 66 9.694 -3.161 -5.793 1.00 0.00 C ATOM 0 H VAL A 66 7.703 -6.712 -6.163 1.00 0.00 H new ATOM 0 HA VAL A 66 7.750 -4.609 -4.103 1.00 0.00 H new ATOM 0 HB VAL A 66 10.032 -4.737 -4.413 1.00 0.00 H new ATOM 0 HG11 VAL A 66 11.138 -5.333 -6.534 1.00 0.00 H new ATOM 0 HG12 VAL A 66 9.995 -6.590 -6.005 1.00 0.00 H new ATOM 0 HG13 VAL A 66 9.546 -5.474 -7.316 1.00 0.00 H new ATOM 0 HG21 VAL A 66 10.755 -2.969 -5.955 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.148 -2.985 -6.720 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.319 -2.493 -5.018 1.00 0.00 H new ATOM 1068 N THR A 67 6.357 -3.206 -5.594 1.00 0.00 N ATOM 1069 CA THR A 67 5.482 -2.395 -6.435 1.00 0.00 C ATOM 1070 C THR A 67 5.517 -0.930 -6.013 1.00 0.00 C ATOM 1071 O THR A 67 5.372 -0.612 -4.835 1.00 0.00 O ATOM 1072 CB THR A 67 4.027 -2.895 -6.379 1.00 0.00 C ATOM 1073 OG1 THR A 67 4.003 -4.320 -6.222 1.00 0.00 O ATOM 1074 CG2 THR A 67 3.271 -2.506 -7.641 1.00 0.00 C ATOM 0 H THR A 67 6.308 -2.986 -4.599 1.00 0.00 H new ATOM 0 HA THR A 67 5.852 -2.487 -7.456 1.00 0.00 H new ATOM 0 HB THR A 67 3.539 -2.427 -5.524 1.00 0.00 H new ATOM 0 HG1 THR A 67 3.074 -4.630 -6.186 1.00 0.00 H new ATOM 0 HG21 THR A 67 2.246 -2.870 -7.578 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.265 -1.421 -7.742 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.760 -2.948 -8.509 1.00 0.00 H new ATOM 1082 N ARG A 68 5.706 -0.040 -6.982 1.00 0.00 N ATOM 1083 CA ARG A 68 5.757 1.393 -6.706 1.00 0.00 C ATOM 1084 C ARG A 68 4.540 2.105 -7.291 1.00 0.00 C ATOM 1085 O ARG A 68 4.100 1.793 -8.398 1.00 0.00 O ATOM 1086 CB ARG A 68 7.041 1.996 -7.278 1.00 0.00 C ATOM 1087 CG ARG A 68 8.265 1.120 -7.074 1.00 0.00 C ATOM 1088 CD ARG A 68 9.496 1.719 -7.734 1.00 0.00 C ATOM 1089 NE ARG A 68 9.355 1.791 -9.186 1.00 0.00 N ATOM 1090 CZ ARG A 68 9.085 2.912 -9.847 1.00 0.00 C ATOM 1091 NH1 ARG A 68 8.926 4.052 -9.188 1.00 0.00 N ATOM 1092 NH2 ARG A 68 8.973 2.894 -11.167 1.00 0.00 N ATOM 0 H ARG A 68 5.826 -0.285 -7.965 1.00 0.00 H new ATOM 0 HA ARG A 68 5.749 1.531 -5.625 1.00 0.00 H new ATOM 0 HB2 ARG A 68 6.905 2.174 -8.345 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.216 2.966 -6.812 1.00 0.00 H new ATOM 0 HG2 ARG A 68 8.449 0.993 -6.007 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.077 0.128 -7.486 1.00 0.00 H new ATOM 0 HD2 ARG A 68 9.671 2.719 -7.336 1.00 0.00 H new ATOM 0 HD3 ARG A 68 10.371 1.119 -7.484 1.00 0.00 H new ATOM 0 HE ARG A 68 9.470 0.932 -9.723 1.00 0.00 H new ATOM 0 HH11 ARG A 68 9.011 4.070 -8.172 1.00 0.00 H new ATOM 0 HH12 ARG A 68 8.719 4.911 -9.698 1.00 0.00 H new ATOM 0 HH21 ARG A 68 9.094 2.019 -11.677 1.00 0.00 H new ATOM 0 HH22 ARG A 68 8.766 3.755 -11.673 1.00 0.00 H new ATOM 1106 N PHE A 69 3.996 3.059 -6.537 1.00 0.00 N ATOM 1107 CA PHE A 69 2.826 3.810 -6.983 1.00 0.00 C ATOM 1108 C PHE A 69 2.740 5.169 -6.298 1.00 0.00 C ATOM 1109 O PHE A 69 2.780 5.265 -5.071 1.00 0.00 O ATOM 1110 CB PHE A 69 1.548 3.010 -6.723 1.00 0.00 C ATOM 1111 CG PHE A 69 1.496 2.376 -5.362 1.00 0.00 C ATOM 1112 CD1 PHE A 69 0.959 3.060 -4.282 1.00 0.00 C ATOM 1113 CD2 PHE A 69 1.985 1.096 -5.162 1.00 0.00 C ATOM 1114 CE1 PHE A 69 0.912 2.478 -3.030 1.00 0.00 C ATOM 1115 CE2 PHE A 69 1.939 0.508 -3.913 1.00 0.00 C ATOM 1116 CZ PHE A 69 1.403 1.201 -2.846 1.00 0.00 C ATOM 0 H PHE A 69 4.346 3.329 -5.618 1.00 0.00 H new ATOM 0 HA PHE A 69 2.931 3.979 -8.055 1.00 0.00 H new ATOM 0 HB2 PHE A 69 0.688 3.669 -6.840 1.00 0.00 H new ATOM 0 HB3 PHE A 69 1.458 2.231 -7.480 1.00 0.00 H new ATOM 0 HD1 PHE A 69 0.573 4.059 -4.421 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.408 0.551 -5.993 1.00 0.00 H new ATOM 0 HE1 PHE A 69 0.492 3.021 -2.196 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.322 -0.492 -3.771 1.00 0.00 H new ATOM 0 HZ PHE A 69 1.368 0.744 -1.868 1.00 0.00 H new ATOM 1126 N ASP A 70 2.603 6.217 -7.104 1.00 0.00 N ATOM 1127 CA ASP A 70 2.488 7.573 -6.584 1.00 0.00 C ATOM 1128 C ASP A 70 1.019 7.960 -6.480 1.00 0.00 C ATOM 1129 O ASP A 70 0.279 7.885 -7.461 1.00 0.00 O ATOM 1130 CB ASP A 70 3.233 8.561 -7.485 1.00 0.00 C ATOM 1131 CG ASP A 70 3.253 8.125 -8.938 1.00 0.00 C ATOM 1132 OD1 ASP A 70 2.185 7.737 -9.457 1.00 0.00 O ATOM 1133 OD2 ASP A 70 4.337 8.173 -9.557 1.00 0.00 O ATOM 0 H ASP A 70 2.569 6.152 -8.121 1.00 0.00 H new ATOM 0 HA ASP A 70 2.939 7.608 -5.592 1.00 0.00 H new ATOM 0 HB2 ASP A 70 2.762 9.541 -7.410 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.257 8.671 -7.128 1.00 0.00 H new ATOM 1138 N PHE A 71 0.595 8.354 -5.285 1.00 0.00 N ATOM 1139 CA PHE A 71 -0.796 8.728 -5.062 1.00 0.00 C ATOM 1140 C PHE A 71 -0.916 10.123 -4.466 1.00 0.00 C ATOM 1141 O PHE A 71 0.051 10.670 -3.945 1.00 0.00 O ATOM 1142 CB PHE A 71 -1.480 7.705 -4.151 1.00 0.00 C ATOM 1143 CG PHE A 71 -0.866 7.579 -2.784 1.00 0.00 C ATOM 1144 CD1 PHE A 71 0.413 7.069 -2.622 1.00 0.00 C ATOM 1145 CD2 PHE A 71 -1.577 7.962 -1.658 1.00 0.00 C ATOM 1146 CE1 PHE A 71 0.970 6.944 -1.364 1.00 0.00 C ATOM 1147 CE2 PHE A 71 -1.025 7.840 -0.397 1.00 0.00 C ATOM 1148 CZ PHE A 71 0.251 7.331 -0.251 1.00 0.00 C ATOM 0 H PHE A 71 1.191 8.423 -4.460 1.00 0.00 H new ATOM 0 HA PHE A 71 -1.294 8.737 -6.031 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.529 7.980 -4.040 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.456 6.730 -4.638 1.00 0.00 H new ATOM 0 HD1 PHE A 71 0.981 6.766 -3.489 1.00 0.00 H new ATOM 0 HD2 PHE A 71 -2.575 8.361 -1.767 1.00 0.00 H new ATOM 0 HE1 PHE A 71 1.967 6.544 -1.251 1.00 0.00 H new ATOM 0 HE2 PHE A 71 -1.590 8.142 0.473 1.00 0.00 H new ATOM 0 HZ PHE A 71 0.686 7.236 0.733 1.00 0.00 H new ATOM 1158 N THR A 72 -2.113 10.694 -4.554 1.00 0.00 N ATOM 1159 CA THR A 72 -2.370 12.031 -4.031 1.00 0.00 C ATOM 1160 C THR A 72 -3.214 11.979 -2.762 1.00 0.00 C ATOM 1161 O THR A 72 -3.757 10.930 -2.413 1.00 0.00 O ATOM 1162 CB THR A 72 -3.080 12.918 -5.071 1.00 0.00 C ATOM 1163 OG1 THR A 72 -4.307 12.307 -5.483 1.00 0.00 O ATOM 1164 CG2 THR A 72 -2.190 13.148 -6.284 1.00 0.00 C ATOM 0 H THR A 72 -2.924 10.249 -4.985 1.00 0.00 H new ATOM 0 HA THR A 72 -1.398 12.466 -3.797 1.00 0.00 H new ATOM 0 HB THR A 72 -3.293 13.881 -4.608 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.752 12.879 -6.143 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.713 13.777 -7.005 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.270 13.642 -5.972 1.00 0.00 H new ATOM 0 HG23 THR A 72 -1.949 12.190 -6.746 1.00 0.00 H new