USER MOD reduce.3.24.130724 H: found=0, std=0, add=518, rem=0, adj=16 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= -0.0183 X(o=-0.018,f=-0.23) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 157:sc= -0.303 (180deg=-1.28!) USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 LYS NZ :NH3+ 166:sc= -0.0293 (180deg=-0.249) USER MOD Single : A 23 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 162:sc= -0.157 (180deg=-0.554) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HD1:sc= -0.125 X(o=-0.12,f=0.0088) USER MOD Single : A 38 ASN : amide:sc= -3.39! K(o=-3.4!,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+ 151:sc= -0.438 (180deg=-1.52!) 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= -1.51 K(o=-1.5,f=-2.7!) USER MOD Single : A 57 SER OG : rot 170:sc= -0.609 USER MOD Single : A 59 GLN : amide:sc= -0.266 X(o=-0.27,f=-0.6) 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= -0.279 X(o=-0.28,f=-0.48) USER MOD Single : A 64 GLN : amide:sc= -0.428 K(o=-0.43,f=-3!) 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 -0.147 -17.395 0.645 1.00 0.00 N ATOM 143 CA HIS A 11 0.366 -16.325 -0.206 1.00 0.00 C ATOM 144 C HIS A 11 1.681 -15.765 0.348 1.00 0.00 C ATOM 145 O HIS A 11 2.688 -16.474 0.393 1.00 0.00 O ATOM 146 CB HIS A 11 -0.684 -15.219 -0.352 1.00 0.00 C ATOM 147 CG HIS A 11 -1.950 -15.682 -1.004 1.00 0.00 C ATOM 148 ND1 HIS A 11 -1.993 -16.839 -1.744 1.00 0.00 N ATOM 149 CD2 HIS A 11 -3.181 -15.115 -0.996 1.00 0.00 C ATOM 150 CE1 HIS A 11 -3.239 -16.951 -2.167 1.00 0.00 C ATOM 151 NE2 HIS A 11 -3.996 -15.929 -1.739 1.00 0.00 N ATOM 0 HA HIS A 11 0.574 -16.737 -1.193 1.00 0.00 H new ATOM 0 HB2 HIS A 11 -0.918 -14.818 0.634 1.00 0.00 H new ATOM 0 HB3 HIS A 11 -0.261 -14.402 -0.936 1.00 0.00 H new ATOM 0 HD2 HIS A 11 -3.465 -14.199 -0.500 1.00 0.00 H new ATOM 0 HE1 HIS A 11 -3.603 -17.762 -2.780 1.00 0.00 H new ATOM 0 HE2 HIS A 11 -4.988 -15.785 -1.930 1.00 0.00 H new ATOM 159 N ILE A 12 1.677 -14.499 0.767 1.00 0.00 N ATOM 160 CA ILE A 12 2.879 -13.873 1.309 1.00 0.00 C ATOM 161 C ILE A 12 2.869 -13.889 2.833 1.00 0.00 C ATOM 162 O ILE A 12 1.824 -13.714 3.459 1.00 0.00 O ATOM 163 CB ILE A 12 3.024 -12.415 0.825 1.00 0.00 C ATOM 164 CG1 ILE A 12 4.316 -11.800 1.365 1.00 0.00 C ATOM 165 CG2 ILE A 12 1.821 -11.586 1.255 1.00 0.00 C ATOM 166 CD1 ILE A 12 5.329 -11.484 0.288 1.00 0.00 C ATOM 0 H ILE A 12 0.858 -13.891 0.741 1.00 0.00 H new ATOM 0 HA ILE A 12 3.726 -14.455 0.946 1.00 0.00 H new ATOM 0 HB ILE A 12 3.069 -12.417 -0.264 1.00 0.00 H new ATOM 0 HG12 ILE A 12 4.075 -10.885 1.906 1.00 0.00 H new ATOM 0 HG13 ILE A 12 4.763 -12.487 2.084 1.00 0.00 H new ATOM 0 HG21 ILE A 12 1.942 -10.561 0.905 1.00 0.00 H new ATOM 0 HG22 ILE A 12 0.914 -12.012 0.826 1.00 0.00 H new ATOM 0 HG23 ILE A 12 1.746 -11.591 2.342 1.00 0.00 H new ATOM 0 HD11 ILE A 12 6.220 -11.051 0.742 1.00 0.00 H new ATOM 0 HD12 ILE A 12 5.599 -12.400 -0.238 1.00 0.00 H new ATOM 0 HD13 ILE A 12 4.900 -10.773 -0.418 1.00 0.00 H new ATOM 178 N SER A 13 4.045 -14.086 3.424 1.00 0.00 N ATOM 179 CA SER A 13 4.173 -14.106 4.874 1.00 0.00 C ATOM 180 C SER A 13 3.727 -12.774 5.458 1.00 0.00 C ATOM 181 O SER A 13 2.963 -12.728 6.422 1.00 0.00 O ATOM 182 CB SER A 13 5.619 -14.389 5.281 1.00 0.00 C ATOM 183 OG SER A 13 5.703 -15.541 6.102 1.00 0.00 O ATOM 0 H SER A 13 4.920 -14.233 2.920 1.00 0.00 H new ATOM 0 HA SER A 13 3.536 -14.900 5.264 1.00 0.00 H new ATOM 0 HB2 SER A 13 6.230 -14.529 4.389 1.00 0.00 H new ATOM 0 HB3 SER A 13 6.025 -13.529 5.814 1.00 0.00 H new ATOM 0 HG SER A 13 6.638 -15.701 6.347 1.00 0.00 H new ATOM 189 N LYS A 14 4.209 -11.688 4.858 1.00 0.00 N ATOM 190 CA LYS A 14 3.859 -10.348 5.309 1.00 0.00 C ATOM 191 C LYS A 14 4.244 -9.301 4.268 1.00 0.00 C ATOM 192 O LYS A 14 5.269 -9.422 3.595 1.00 0.00 O ATOM 193 CB LYS A 14 4.548 -10.039 6.640 1.00 0.00 C ATOM 194 CG LYS A 14 5.968 -10.578 6.732 1.00 0.00 C ATOM 195 CD LYS A 14 6.992 -9.453 6.720 1.00 0.00 C ATOM 196 CE LYS A 14 8.236 -9.815 7.516 1.00 0.00 C ATOM 197 NZ LYS A 14 8.480 -11.285 7.539 1.00 0.00 N ATOM 0 H LYS A 14 4.843 -11.712 4.059 1.00 0.00 H new ATOM 0 HA LYS A 14 2.779 -10.311 5.449 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.568 -8.959 6.787 1.00 0.00 H new ATOM 0 HB3 LYS A 14 3.955 -10.460 7.452 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.078 -11.162 7.646 1.00 0.00 H new ATOM 0 HG3 LYS A 14 6.157 -11.253 5.897 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.272 -9.227 5.691 1.00 0.00 H new ATOM 0 HD3 LYS A 14 6.545 -8.550 7.135 1.00 0.00 H new ATOM 0 HE2 LYS A 14 9.101 -9.311 7.085 1.00 0.00 H new ATOM 0 HE3 LYS A 14 8.131 -9.450 8.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.486 -11.467 7.731 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.901 -11.721 8.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.224 -11.694 6.618 1.00 0.00 H new ATOM 211 N TYR A 15 3.414 -8.271 4.149 1.00 0.00 N ATOM 212 CA TYR A 15 3.651 -7.189 3.204 1.00 0.00 C ATOM 213 C TYR A 15 3.975 -5.900 3.949 1.00 0.00 C ATOM 214 O TYR A 15 3.299 -5.557 4.915 1.00 0.00 O ATOM 215 CB TYR A 15 2.408 -6.975 2.334 1.00 0.00 C ATOM 216 CG TYR A 15 2.671 -7.001 0.845 1.00 0.00 C ATOM 217 CD1 TYR A 15 3.450 -6.024 0.239 1.00 0.00 C ATOM 218 CD2 TYR A 15 2.127 -7.997 0.044 1.00 0.00 C ATOM 219 CE1 TYR A 15 3.680 -6.039 -1.122 1.00 0.00 C ATOM 220 CE2 TYR A 15 2.354 -8.020 -1.318 1.00 0.00 C ATOM 221 CZ TYR A 15 3.130 -7.038 -1.896 1.00 0.00 C ATOM 222 OH TYR A 15 3.357 -7.057 -3.254 1.00 0.00 O ATOM 0 H TYR A 15 2.563 -8.164 4.702 1.00 0.00 H new ATOM 0 HA TYR A 15 4.496 -7.458 2.571 1.00 0.00 H new ATOM 0 HB2 TYR A 15 1.675 -7.746 2.574 1.00 0.00 H new ATOM 0 HB3 TYR A 15 1.959 -6.016 2.594 1.00 0.00 H new ATOM 0 HD1 TYR A 15 3.883 -5.240 0.842 1.00 0.00 H new ATOM 0 HD2 TYR A 15 1.516 -8.766 0.494 1.00 0.00 H new ATOM 0 HE1 TYR A 15 4.288 -5.272 -1.578 1.00 0.00 H new ATOM 0 HE2 TYR A 15 1.926 -8.803 -1.927 1.00 0.00 H new ATOM 0 HH TYR A 15 2.899 -7.827 -3.651 1.00 0.00 H new ATOM 232 N ILE A 16 4.991 -5.176 3.497 1.00 0.00 N ATOM 233 CA ILE A 16 5.352 -3.917 4.137 1.00 0.00 C ATOM 234 C ILE A 16 5.111 -2.757 3.196 1.00 0.00 C ATOM 235 O ILE A 16 5.499 -2.794 2.029 1.00 0.00 O ATOM 236 CB ILE A 16 6.822 -3.866 4.598 1.00 0.00 C ATOM 237 CG1 ILE A 16 7.037 -4.788 5.800 1.00 0.00 C ATOM 238 CG2 ILE A 16 7.209 -2.427 4.949 1.00 0.00 C ATOM 239 CD1 ILE A 16 7.173 -6.247 5.427 1.00 0.00 C ATOM 0 H ILE A 16 5.573 -5.434 2.700 1.00 0.00 H new ATOM 0 HA ILE A 16 4.718 -3.843 5.021 1.00 0.00 H new ATOM 0 HB ILE A 16 7.459 -4.212 3.784 1.00 0.00 H new ATOM 0 HG12 ILE A 16 7.934 -4.473 6.333 1.00 0.00 H new ATOM 0 HG13 ILE A 16 6.200 -4.674 6.489 1.00 0.00 H new ATOM 0 HG21 ILE A 16 8.249 -2.399 5.274 1.00 0.00 H new ATOM 0 HG22 ILE A 16 7.086 -1.793 4.071 1.00 0.00 H new ATOM 0 HG23 ILE A 16 6.568 -2.063 5.752 1.00 0.00 H new ATOM 0 HD11 ILE A 16 7.323 -6.841 6.329 1.00 0.00 H new ATOM 0 HD12 ILE A 16 6.267 -6.579 4.920 1.00 0.00 H new ATOM 0 HD13 ILE A 16 8.028 -6.375 4.762 1.00 0.00 H new ATOM 251 N LEU A 17 4.473 -1.727 3.717 1.00 0.00 N ATOM 252 CA LEU A 17 4.180 -0.550 2.939 1.00 0.00 C ATOM 253 C LEU A 17 4.928 0.646 3.494 1.00 0.00 C ATOM 254 O LEU A 17 4.662 1.097 4.609 1.00 0.00 O ATOM 255 CB LEU A 17 2.679 -0.290 2.966 1.00 0.00 C ATOM 256 CG LEU A 17 2.088 0.306 1.682 1.00 0.00 C ATOM 257 CD1 LEU A 17 0.655 0.759 1.911 1.00 0.00 C ATOM 258 CD2 LEU A 17 2.939 1.459 1.176 1.00 0.00 C ATOM 0 H LEU A 17 4.148 -1.687 4.683 1.00 0.00 H new ATOM 0 HA LEU A 17 4.501 -0.709 1.910 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.169 -1.230 3.178 1.00 0.00 H new ATOM 0 HB3 LEU A 17 2.460 0.385 3.793 1.00 0.00 H new ATOM 0 HG LEU A 17 2.085 -0.473 0.919 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.254 1.179 0.988 1.00 0.00 H new ATOM 0 HD12 LEU A 17 0.048 -0.094 2.216 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.634 1.517 2.694 1.00 0.00 H new ATOM 0 HD21 LEU A 17 2.498 1.864 0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 17 2.983 2.239 1.936 1.00 0.00 H new ATOM 0 HD23 LEU A 17 3.947 1.102 0.964 1.00 0.00 H new ATOM 270 N ARG A 18 5.857 1.165 2.707 1.00 0.00 N ATOM 271 CA ARG A 18 6.629 2.319 3.124 1.00 0.00 C ATOM 272 C ARG A 18 6.336 3.496 2.217 1.00 0.00 C ATOM 273 O ARG A 18 6.419 3.379 1.001 1.00 0.00 O ATOM 274 CB ARG A 18 8.124 1.999 3.108 1.00 0.00 C ATOM 275 CG ARG A 18 8.482 0.727 3.858 1.00 0.00 C ATOM 276 CD ARG A 18 9.557 -0.063 3.131 1.00 0.00 C ATOM 277 NE ARG A 18 10.684 -0.386 4.000 1.00 0.00 N ATOM 278 CZ ARG A 18 11.709 0.433 4.216 1.00 0.00 C ATOM 279 NH1 ARG A 18 11.750 1.620 3.626 1.00 0.00 N ATOM 280 NH2 ARG A 18 12.695 0.064 5.022 1.00 0.00 N ATOM 0 H ARG A 18 6.092 0.806 1.782 1.00 0.00 H new ATOM 0 HA ARG A 18 6.343 2.578 4.143 1.00 0.00 H new ATOM 0 HB2 ARG A 18 8.456 1.907 2.074 1.00 0.00 H new ATOM 0 HB3 ARG A 18 8.671 2.835 3.545 1.00 0.00 H new ATOM 0 HG2 ARG A 18 8.829 0.979 4.860 1.00 0.00 H new ATOM 0 HG3 ARG A 18 7.592 0.109 3.975 1.00 0.00 H new ATOM 0 HD2 ARG A 18 9.126 -0.984 2.739 1.00 0.00 H new ATOM 0 HD3 ARG A 18 9.912 0.512 2.276 1.00 0.00 H new ATOM 0 HE ARG A 18 10.686 -1.292 4.469 1.00 0.00 H new ATOM 0 HH11 ARG A 18 10.994 1.907 3.004 1.00 0.00 H new ATOM 0 HH12 ARG A 18 12.538 2.246 3.794 1.00 0.00 H new ATOM 0 HH21 ARG A 18 12.668 -0.849 5.477 1.00 0.00 H new ATOM 0 HH22 ARG A 18 13.481 0.693 5.187 1.00 0.00 H new ATOM 294 N TRP A 19 5.989 4.631 2.809 1.00 0.00 N ATOM 295 CA TRP A 19 5.680 5.818 2.023 1.00 0.00 C ATOM 296 C TRP A 19 6.135 7.096 2.718 1.00 0.00 C ATOM 297 O TRP A 19 6.372 7.116 3.925 1.00 0.00 O ATOM 298 CB TRP A 19 4.180 5.886 1.725 1.00 0.00 C ATOM 299 CG TRP A 19 3.342 6.253 2.913 1.00 0.00 C ATOM 300 CD1 TRP A 19 2.876 7.496 3.235 1.00 0.00 C ATOM 301 CD2 TRP A 19 2.863 5.368 3.933 1.00 0.00 C ATOM 302 NE1 TRP A 19 2.138 7.437 4.393 1.00 0.00 N ATOM 303 CE2 TRP A 19 2.117 6.142 4.840 1.00 0.00 C ATOM 304 CE3 TRP A 19 2.995 3.997 4.165 1.00 0.00 C ATOM 305 CZ2 TRP A 19 1.503 5.588 5.962 1.00 0.00 C ATOM 306 CZ3 TRP A 19 2.387 3.449 5.278 1.00 0.00 C ATOM 307 CH2 TRP A 19 1.648 4.244 6.164 1.00 0.00 C ATOM 0 H TRP A 19 5.915 4.755 3.819 1.00 0.00 H new ATOM 0 HA TRP A 19 6.230 5.738 1.085 1.00 0.00 H new ATOM 0 HB2 TRP A 19 4.009 6.615 0.933 1.00 0.00 H new ATOM 0 HB3 TRP A 19 3.851 4.919 1.345 1.00 0.00 H new ATOM 0 HD1 TRP A 19 3.060 8.394 2.663 1.00 0.00 H new ATOM 0 HE1 TRP A 19 1.681 8.228 4.846 1.00 0.00 H new ATOM 0 HE3 TRP A 19 3.562 3.377 3.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 19 0.933 6.199 6.647 1.00 0.00 H new ATOM 0 HZ3 TRP A 19 2.483 2.390 5.468 1.00 0.00 H new ATOM 0 HH2 TRP A 19 1.183 3.785 7.024 1.00 0.00 H new ATOM 318 N ARG A 20 6.246 8.157 1.925 1.00 0.00 N ATOM 319 CA ARG A 20 6.664 9.465 2.407 1.00 0.00 C ATOM 320 C ARG A 20 6.146 10.545 1.454 1.00 0.00 C ATOM 321 O ARG A 20 5.962 10.289 0.265 1.00 0.00 O ATOM 322 CB ARG A 20 8.197 9.518 2.521 1.00 0.00 C ATOM 323 CG ARG A 20 8.842 10.728 1.861 1.00 0.00 C ATOM 324 CD ARG A 20 9.321 10.404 0.454 1.00 0.00 C ATOM 325 NE ARG A 20 10.778 10.338 0.371 1.00 0.00 N ATOM 326 CZ ARG A 20 11.526 11.279 -0.195 1.00 0.00 C ATOM 327 NH1 ARG A 20 10.956 12.354 -0.725 1.00 0.00 N ATOM 328 NH2 ARG A 20 12.845 11.149 -0.234 1.00 0.00 N ATOM 0 H ARG A 20 6.047 8.131 0.925 1.00 0.00 H new ATOM 0 HA ARG A 20 6.246 9.644 3.398 1.00 0.00 H new ATOM 0 HB2 ARG A 20 8.470 9.508 3.576 1.00 0.00 H new ATOM 0 HB3 ARG A 20 8.612 8.614 2.076 1.00 0.00 H new ATOM 0 HG2 ARG A 20 8.125 11.549 1.823 1.00 0.00 H new ATOM 0 HG3 ARG A 20 9.684 11.068 2.464 1.00 0.00 H new ATOM 0 HD2 ARG A 20 8.897 9.451 0.138 1.00 0.00 H new ATOM 0 HD3 ARG A 20 8.953 11.162 -0.237 1.00 0.00 H new ATOM 0 HE ARG A 20 11.247 9.525 0.770 1.00 0.00 H new ATOM 0 HH11 ARG A 20 9.942 12.459 -0.698 1.00 0.00 H new ATOM 0 HH12 ARG A 20 11.532 13.075 -1.159 1.00 0.00 H new ATOM 0 HH21 ARG A 20 13.288 10.325 0.171 1.00 0.00 H new ATOM 0 HH22 ARG A 20 13.416 11.873 -0.669 1.00 0.00 H new ATOM 342 N PRO A 21 5.884 11.763 1.959 1.00 0.00 N ATOM 343 CA PRO A 21 5.365 12.862 1.133 1.00 0.00 C ATOM 344 C PRO A 21 6.273 13.191 -0.048 1.00 0.00 C ATOM 345 O PRO A 21 7.464 13.449 0.120 1.00 0.00 O ATOM 346 CB PRO A 21 5.303 14.039 2.109 1.00 0.00 C ATOM 347 CG PRO A 21 5.199 13.401 3.448 1.00 0.00 C ATOM 348 CD PRO A 21 6.045 12.165 3.366 1.00 0.00 C ATOM 0 HA PRO A 21 4.405 12.611 0.683 1.00 0.00 H new ATOM 0 HB2 PRO A 21 6.192 14.665 2.035 1.00 0.00 H new ATOM 0 HB3 PRO A 21 4.445 14.679 1.906 1.00 0.00 H new ATOM 0 HG2 PRO A 21 5.556 14.070 4.231 1.00 0.00 H new ATOM 0 HG3 PRO A 21 4.164 13.154 3.686 1.00 0.00 H new ATOM 0 HD2 PRO A 21 7.087 12.369 3.613 1.00 0.00 H new ATOM 0 HD3 PRO A 21 5.700 11.391 4.051 1.00 0.00 H new ATOM 356 N LYS A 22 5.691 13.174 -1.245 1.00 0.00 N ATOM 357 CA LYS A 22 6.429 13.464 -2.468 1.00 0.00 C ATOM 358 C LYS A 22 6.671 14.962 -2.622 1.00 0.00 C ATOM 359 O LYS A 22 7.735 15.387 -3.070 1.00 0.00 O ATOM 360 CB LYS A 22 5.656 12.939 -3.676 1.00 0.00 C ATOM 361 CG LYS A 22 6.484 12.866 -4.949 1.00 0.00 C ATOM 362 CD LYS A 22 5.601 12.720 -6.177 1.00 0.00 C ATOM 363 CE LYS A 22 6.399 12.887 -7.459 1.00 0.00 C ATOM 364 NZ LYS A 22 7.625 12.044 -7.463 1.00 0.00 N ATOM 0 H LYS A 22 4.704 12.961 -1.392 1.00 0.00 H new ATOM 0 HA LYS A 22 7.397 12.966 -2.408 1.00 0.00 H new ATOM 0 HB2 LYS A 22 5.272 11.945 -3.446 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.793 13.582 -3.851 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.092 13.766 -5.041 1.00 0.00 H new ATOM 0 HG3 LYS A 22 7.171 12.022 -4.890 1.00 0.00 H new ATOM 0 HD2 LYS A 22 5.124 11.740 -6.169 1.00 0.00 H new ATOM 0 HD3 LYS A 22 4.804 13.463 -6.144 1.00 0.00 H new ATOM 0 HE2 LYS A 22 5.774 12.623 -8.312 1.00 0.00 H new ATOM 0 HE3 LYS A 22 6.678 13.934 -7.579 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 8.012 11.999 -8.427 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 8.333 12.458 -6.824 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 7.387 11.084 -7.140 1.00 0.00 H new ATOM 378 N ASN A 23 5.672 15.757 -2.250 1.00 0.00 N ATOM 379 CA ASN A 23 5.772 17.209 -2.351 1.00 0.00 C ATOM 380 C ASN A 23 6.476 17.792 -1.131 1.00 0.00 C ATOM 381 O ASN A 23 7.276 18.720 -1.249 1.00 0.00 O ATOM 382 CB ASN A 23 4.380 17.827 -2.496 1.00 0.00 C ATOM 383 CG ASN A 23 4.434 19.309 -2.809 1.00 0.00 C ATOM 384 OD1 ASN A 23 4.659 19.707 -3.952 1.00 0.00 O ATOM 385 ND2 ASN A 23 4.224 20.136 -1.791 1.00 0.00 N ATOM 0 H ASN A 23 4.785 15.420 -1.876 1.00 0.00 H new ATOM 0 HA ASN A 23 6.362 17.448 -3.236 1.00 0.00 H new ATOM 0 HB2 ASN A 23 3.837 17.311 -3.288 1.00 0.00 H new ATOM 0 HB3 ASN A 23 3.820 17.674 -1.574 1.00 0.00 H new ATOM 0 HD21 ASN A 23 4.246 21.145 -1.941 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.041 19.762 -0.860 1.00 0.00 H new ATOM 392 N SER A 24 6.171 17.241 0.038 1.00 0.00 N ATOM 393 CA SER A 24 6.774 17.704 1.282 1.00 0.00 C ATOM 394 C SER A 24 7.940 16.807 1.685 1.00 0.00 C ATOM 395 O SER A 24 7.895 15.593 1.496 1.00 0.00 O ATOM 396 CB SER A 24 5.726 17.737 2.396 1.00 0.00 C ATOM 397 OG SER A 24 5.499 19.063 2.845 1.00 0.00 O ATOM 0 H SER A 24 5.509 16.473 0.150 1.00 0.00 H new ATOM 0 HA SER A 24 7.155 18.713 1.123 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.792 17.308 2.034 1.00 0.00 H new ATOM 0 HB3 SER A 24 6.058 17.119 3.230 1.00 0.00 H new ATOM 0 HG SER A 24 4.824 19.057 3.556 1.00 0.00 H new ATOM 403 N VAL A 25 8.985 17.413 2.240 1.00 0.00 N ATOM 404 CA VAL A 25 10.163 16.665 2.666 1.00 0.00 C ATOM 405 C VAL A 25 9.998 16.153 4.095 1.00 0.00 C ATOM 406 O VAL A 25 9.601 16.898 4.992 1.00 0.00 O ATOM 407 CB VAL A 25 11.439 17.527 2.574 1.00 0.00 C ATOM 408 CG1 VAL A 25 11.286 18.805 3.384 1.00 0.00 C ATOM 409 CG2 VAL A 25 12.657 16.737 3.031 1.00 0.00 C ATOM 0 H VAL A 25 9.040 18.418 2.405 1.00 0.00 H new ATOM 0 HA VAL A 25 10.265 15.815 1.991 1.00 0.00 H new ATOM 0 HB VAL A 25 11.588 17.805 1.531 1.00 0.00 H new ATOM 0 HG11 VAL A 25 12.198 19.397 3.305 1.00 0.00 H new ATOM 0 HG12 VAL A 25 10.444 19.381 2.999 1.00 0.00 H new ATOM 0 HG13 VAL A 25 11.106 18.554 4.429 1.00 0.00 H new ATOM 0 HG21 VAL A 25 13.546 17.364 2.958 1.00 0.00 H new ATOM 0 HG22 VAL A 25 12.519 16.422 4.065 1.00 0.00 H new ATOM 0 HG23 VAL A 25 12.780 15.859 2.397 1.00 0.00 H new ATOM 419 N GLY A 26 10.302 14.874 4.299 1.00 0.00 N ATOM 420 CA GLY A 26 10.178 14.284 5.619 1.00 0.00 C ATOM 421 C GLY A 26 10.721 12.870 5.676 1.00 0.00 C ATOM 422 O GLY A 26 11.732 12.561 5.043 1.00 0.00 O ATOM 0 H GLY A 26 10.632 14.237 3.574 1.00 0.00 H new ATOM 0 HA2 GLY A 26 10.709 14.903 6.342 1.00 0.00 H new ATOM 0 HA3 GLY A 26 9.129 14.279 5.914 1.00 0.00 H new ATOM 426 N ARG A 27 10.051 12.009 6.435 1.00 0.00 N ATOM 427 CA ARG A 27 10.472 10.618 6.572 1.00 0.00 C ATOM 428 C ARG A 27 9.432 9.675 5.977 1.00 0.00 C ATOM 429 O ARG A 27 8.367 10.109 5.535 1.00 0.00 O ATOM 430 CB ARG A 27 10.711 10.269 8.045 1.00 0.00 C ATOM 431 CG ARG A 27 10.475 11.429 8.998 1.00 0.00 C ATOM 432 CD ARG A 27 10.739 11.025 10.439 1.00 0.00 C ATOM 433 NE ARG A 27 11.735 11.882 11.073 1.00 0.00 N ATOM 434 CZ ARG A 27 11.703 12.226 12.358 1.00 0.00 C ATOM 435 NH1 ARG A 27 10.729 11.782 13.142 1.00 0.00 N ATOM 436 NH2 ARG A 27 12.645 13.012 12.858 1.00 0.00 N ATOM 0 H ARG A 27 9.214 12.250 6.965 1.00 0.00 H new ATOM 0 HA ARG A 27 11.407 10.496 6.025 1.00 0.00 H new ATOM 0 HB2 ARG A 27 10.056 9.443 8.324 1.00 0.00 H new ATOM 0 HB3 ARG A 27 11.736 9.917 8.163 1.00 0.00 H new ATOM 0 HG2 ARG A 27 11.124 12.262 8.727 1.00 0.00 H new ATOM 0 HG3 ARG A 27 9.448 11.780 8.899 1.00 0.00 H new ATOM 0 HD2 ARG A 27 9.808 11.071 11.005 1.00 0.00 H new ATOM 0 HD3 ARG A 27 11.080 9.990 10.469 1.00 0.00 H new ATOM 0 HE ARG A 27 12.499 12.238 10.499 1.00 0.00 H new ATOM 0 HH11 ARG A 27 10.003 11.176 12.760 1.00 0.00 H new ATOM 0 HH12 ARG A 27 10.706 12.047 14.127 1.00 0.00 H new ATOM 0 HH21 ARG A 27 13.396 13.354 12.258 1.00 0.00 H new ATOM 0 HH22 ARG A 27 12.620 13.275 13.843 1.00 0.00 H new ATOM 450 N TRP A 28 9.747 8.384 5.970 1.00 0.00 N ATOM 451 CA TRP A 28 8.840 7.379 5.427 1.00 0.00 C ATOM 452 C TRP A 28 7.892 6.859 6.505 1.00 0.00 C ATOM 453 O TRP A 28 7.789 7.443 7.585 1.00 0.00 O ATOM 454 CB TRP A 28 9.634 6.220 4.820 1.00 0.00 C ATOM 455 CG TRP A 28 10.323 6.579 3.538 1.00 0.00 C ATOM 456 CD1 TRP A 28 11.324 7.495 3.372 1.00 0.00 C ATOM 457 CD2 TRP A 28 10.064 6.030 2.241 1.00 0.00 C ATOM 458 NE1 TRP A 28 11.701 7.547 2.052 1.00 0.00 N ATOM 459 CE2 TRP A 28 10.942 6.657 1.338 1.00 0.00 C ATOM 460 CE3 TRP A 28 9.173 5.068 1.757 1.00 0.00 C ATOM 461 CZ2 TRP A 28 10.955 6.351 -0.022 1.00 0.00 C ATOM 462 CZ3 TRP A 28 9.187 4.766 0.408 1.00 0.00 C ATOM 463 CH2 TRP A 28 10.072 5.405 -0.467 1.00 0.00 C ATOM 0 H TRP A 28 10.623 8.009 6.334 1.00 0.00 H new ATOM 0 HA TRP A 28 8.244 7.848 4.645 1.00 0.00 H new ATOM 0 HB2 TRP A 28 10.378 5.881 5.541 1.00 0.00 H new ATOM 0 HB3 TRP A 28 8.960 5.382 4.640 1.00 0.00 H new ATOM 0 HD1 TRP A 28 11.755 8.091 4.163 1.00 0.00 H new ATOM 0 HE1 TRP A 28 12.428 8.150 1.666 1.00 0.00 H new ATOM 0 HE3 TRP A 28 8.486 4.570 2.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 11.637 6.843 -0.700 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 8.503 4.024 0.023 1.00 0.00 H new ATOM 0 HH2 TRP A 28 10.058 5.146 -1.515 1.00 0.00 H new ATOM 474 N LYS A 29 7.202 5.760 6.208 1.00 0.00 N ATOM 475 CA LYS A 29 6.265 5.162 7.151 1.00 0.00 C ATOM 476 C LYS A 29 6.160 3.670 6.885 1.00 0.00 C ATOM 477 O LYS A 29 6.442 3.224 5.778 1.00 0.00 O ATOM 478 CB LYS A 29 4.888 5.817 7.029 1.00 0.00 C ATOM 479 CG LYS A 29 4.711 7.036 7.921 1.00 0.00 C ATOM 480 CD LYS A 29 3.473 6.912 8.795 1.00 0.00 C ATOM 481 CE LYS A 29 3.250 8.166 9.626 1.00 0.00 C ATOM 482 NZ LYS A 29 3.210 9.390 8.781 1.00 0.00 N ATOM 0 H LYS A 29 7.276 5.266 5.319 1.00 0.00 H new ATOM 0 HA LYS A 29 6.632 5.324 8.165 1.00 0.00 H new ATOM 0 HB2 LYS A 29 4.725 6.110 5.992 1.00 0.00 H new ATOM 0 HB3 LYS A 29 4.122 5.082 7.277 1.00 0.00 H new ATOM 0 HG2 LYS A 29 5.592 7.158 8.551 1.00 0.00 H new ATOM 0 HG3 LYS A 29 4.634 7.931 7.304 1.00 0.00 H new ATOM 0 HD2 LYS A 29 2.600 6.730 8.168 1.00 0.00 H new ATOM 0 HD3 LYS A 29 3.577 6.051 9.455 1.00 0.00 H new ATOM 0 HE2 LYS A 29 2.314 8.075 10.178 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.047 8.260 10.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 2.764 10.165 9.313 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.179 9.663 8.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 2.659 9.199 7.920 1.00 0.00 H new ATOM 496 N GLU A 30 5.771 2.899 7.894 1.00 0.00 N ATOM 497 CA GLU A 30 5.661 1.453 7.732 1.00 0.00 C ATOM 498 C GLU A 30 4.255 0.947 8.041 1.00 0.00 C ATOM 499 O GLU A 30 3.680 1.260 9.083 1.00 0.00 O ATOM 500 CB GLU A 30 6.678 0.742 8.626 1.00 0.00 C ATOM 501 CG GLU A 30 8.121 1.036 8.250 1.00 0.00 C ATOM 502 CD GLU A 30 9.048 1.055 9.451 1.00 0.00 C ATOM 503 OE1 GLU A 30 8.549 0.922 10.589 1.00 0.00 O ATOM 504 OE2 GLU A 30 10.271 1.204 9.253 1.00 0.00 O ATOM 0 H GLU A 30 5.529 3.245 8.823 1.00 0.00 H new ATOM 0 HA GLU A 30 5.872 1.227 6.687 1.00 0.00 H new ATOM 0 HB2 GLU A 30 6.512 1.040 9.661 1.00 0.00 H new ATOM 0 HB3 GLU A 30 6.508 -0.333 8.573 1.00 0.00 H new ATOM 0 HG2 GLU A 30 8.468 0.284 7.541 1.00 0.00 H new ATOM 0 HG3 GLU A 30 8.171 2.000 7.743 1.00 0.00 H new ATOM 511 N ALA A 31 3.720 0.146 7.124 1.00 0.00 N ATOM 512 CA ALA A 31 2.392 -0.434 7.278 1.00 0.00 C ATOM 513 C ALA A 31 2.383 -1.869 6.759 1.00 0.00 C ATOM 514 O ALA A 31 2.510 -2.104 5.557 1.00 0.00 O ATOM 515 CB ALA A 31 1.358 0.404 6.542 1.00 0.00 C ATOM 0 H ALA A 31 4.192 -0.117 6.259 1.00 0.00 H new ATOM 0 HA ALA A 31 2.135 -0.444 8.337 1.00 0.00 H new ATOM 0 HB1 ALA A 31 0.372 -0.043 6.667 1.00 0.00 H new ATOM 0 HB2 ALA A 31 1.353 1.415 6.949 1.00 0.00 H new ATOM 0 HB3 ALA A 31 1.608 0.441 5.482 1.00 0.00 H new ATOM 521 N THR A 32 2.242 -2.826 7.669 1.00 0.00 N ATOM 522 CA THR A 32 2.233 -4.238 7.297 1.00 0.00 C ATOM 523 C THR A 32 0.828 -4.738 6.990 1.00 0.00 C ATOM 524 O THR A 32 -0.137 -4.378 7.665 1.00 0.00 O ATOM 525 CB THR A 32 2.847 -5.126 8.397 1.00 0.00 C ATOM 526 OG1 THR A 32 4.216 -4.762 8.613 1.00 0.00 O ATOM 527 CG2 THR A 32 2.765 -6.601 8.011 1.00 0.00 C ATOM 0 H THR A 32 2.132 -2.652 8.668 1.00 0.00 H new ATOM 0 HA THR A 32 2.842 -4.311 6.396 1.00 0.00 H new ATOM 0 HB THR A 32 2.280 -4.973 9.315 1.00 0.00 H new ATOM 0 HG1 THR A 32 4.599 -5.329 9.314 1.00 0.00 H new ATOM 0 HG21 THR A 32 3.204 -7.209 8.802 1.00 0.00 H new ATOM 0 HG22 THR A 32 1.721 -6.884 7.873 1.00 0.00 H new ATOM 0 HG23 THR A 32 3.311 -6.765 7.082 1.00 0.00 H new ATOM 535 N ILE A 33 0.730 -5.586 5.970 1.00 0.00 N ATOM 536 CA ILE A 33 -0.542 -6.162 5.566 1.00 0.00 C ATOM 537 C ILE A 33 -0.369 -7.644 5.233 1.00 0.00 C ATOM 538 O ILE A 33 0.218 -7.991 4.209 1.00 0.00 O ATOM 539 CB ILE A 33 -1.134 -5.440 4.337 1.00 0.00 C ATOM 540 CG1 ILE A 33 -0.777 -3.951 4.356 1.00 0.00 C ATOM 541 CG2 ILE A 33 -2.643 -5.623 4.294 1.00 0.00 C ATOM 542 CD1 ILE A 33 0.056 -3.516 3.171 1.00 0.00 C ATOM 0 H ILE A 33 1.524 -5.889 5.407 1.00 0.00 H new ATOM 0 HA ILE A 33 -1.230 -6.042 6.403 1.00 0.00 H new ATOM 0 HB ILE A 33 -0.702 -5.882 3.439 1.00 0.00 H new ATOM 0 HG12 ILE A 33 -1.696 -3.365 4.379 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -0.234 -3.727 5.274 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -3.047 -5.109 3.422 1.00 0.00 H new ATOM 0 HG22 ILE A 33 -2.879 -6.685 4.230 1.00 0.00 H new ATOM 0 HG23 ILE A 33 -3.086 -5.207 5.199 1.00 0.00 H new ATOM 0 HD11 ILE A 33 0.272 -2.450 3.249 1.00 0.00 H new ATOM 0 HD12 ILE A 33 0.991 -4.076 3.159 1.00 0.00 H new ATOM 0 HD13 ILE A 33 -0.494 -3.708 2.250 1.00 0.00 H new ATOM 554 N PRO A 34 -0.872 -8.540 6.100 1.00 0.00 N ATOM 555 CA PRO A 34 -0.763 -9.988 5.888 1.00 0.00 C ATOM 556 C PRO A 34 -1.545 -10.449 4.661 1.00 0.00 C ATOM 557 O PRO A 34 -2.737 -10.740 4.746 1.00 0.00 O ATOM 558 CB PRO A 34 -1.365 -10.587 7.164 1.00 0.00 C ATOM 559 CG PRO A 34 -2.243 -9.515 7.710 1.00 0.00 C ATOM 560 CD PRO A 34 -1.572 -8.219 7.356 1.00 0.00 C ATOM 0 HA PRO A 34 0.266 -10.297 5.706 1.00 0.00 H new ATOM 0 HB2 PRO A 34 -1.933 -11.491 6.947 1.00 0.00 H new ATOM 0 HB3 PRO A 34 -0.588 -10.863 7.877 1.00 0.00 H new ATOM 0 HG2 PRO A 34 -3.242 -9.569 7.278 1.00 0.00 H new ATOM 0 HG3 PRO A 34 -2.357 -9.615 8.789 1.00 0.00 H new ATOM 0 HD2 PRO A 34 -2.295 -7.414 7.221 1.00 0.00 H new ATOM 0 HD3 PRO A 34 -0.879 -7.898 8.134 1.00 0.00 H new ATOM 568 N GLY A 35 -0.863 -10.507 3.520 1.00 0.00 N ATOM 569 CA GLY A 35 -1.508 -10.930 2.291 1.00 0.00 C ATOM 570 C GLY A 35 -2.525 -9.920 1.795 1.00 0.00 C ATOM 571 O GLY A 35 -2.167 -8.931 1.156 1.00 0.00 O ATOM 0 H GLY A 35 0.124 -10.269 3.426 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -0.751 -11.087 1.522 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -2.001 -11.888 2.454 1.00 0.00 H new ATOM 575 N HIS A 36 -3.796 -10.169 2.094 1.00 0.00 N ATOM 576 CA HIS A 36 -4.870 -9.276 1.680 1.00 0.00 C ATOM 577 C HIS A 36 -6.157 -9.594 2.435 1.00 0.00 C ATOM 578 O HIS A 36 -7.114 -10.116 1.861 1.00 0.00 O ATOM 579 CB HIS A 36 -5.103 -9.387 0.170 1.00 0.00 C ATOM 580 CG HIS A 36 -5.809 -8.203 -0.423 1.00 0.00 C ATOM 581 ND1 HIS A 36 -5.875 -8.019 -1.782 1.00 0.00 N ATOM 582 CD2 HIS A 36 -6.458 -7.184 0.193 1.00 0.00 C ATOM 583 CE1 HIS A 36 -6.557 -6.902 -1.965 1.00 0.00 C ATOM 584 NE2 HIS A 36 -6.930 -6.360 -0.796 1.00 0.00 N ATOM 0 H HIS A 36 -4.107 -10.984 2.623 1.00 0.00 H new ATOM 0 HA HIS A 36 -4.574 -8.254 1.916 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -4.142 -9.512 -0.328 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -5.686 -10.285 -0.033 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -6.580 -7.048 1.257 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -6.785 -6.479 -2.932 1.00 0.00 H new ATOM 0 HE2 HIS A 36 -7.463 -5.500 -0.667 1.00 0.00 H new ATOM 592 N LEU A 37 -6.172 -9.277 3.727 1.00 0.00 N ATOM 593 CA LEU A 37 -7.339 -9.530 4.564 1.00 0.00 C ATOM 594 C LEU A 37 -8.469 -8.562 4.226 1.00 0.00 C ATOM 595 O LEU A 37 -9.646 -8.914 4.307 1.00 0.00 O ATOM 596 CB LEU A 37 -6.969 -9.413 6.045 1.00 0.00 C ATOM 597 CG LEU A 37 -6.681 -7.992 6.538 1.00 0.00 C ATOM 598 CD1 LEU A 37 -7.022 -7.859 8.013 1.00 0.00 C ATOM 599 CD2 LEU A 37 -5.224 -7.627 6.292 1.00 0.00 C ATOM 0 H LEU A 37 -5.388 -8.844 4.216 1.00 0.00 H new ATOM 0 HA LEU A 37 -7.685 -10.545 4.367 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -7.783 -9.828 6.640 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -6.090 -10.030 6.233 1.00 0.00 H new ATOM 0 HG LEU A 37 -7.309 -7.300 5.977 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -6.811 -6.843 8.345 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -8.079 -8.077 8.163 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -6.421 -8.562 8.590 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -5.038 -6.614 6.648 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.579 -8.324 6.827 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -5.011 -7.681 5.224 1.00 0.00 H new ATOM 611 N ASN A 38 -8.102 -7.343 3.840 1.00 0.00 N ATOM 612 CA ASN A 38 -9.084 -6.324 3.484 1.00 0.00 C ATOM 613 C ASN A 38 -8.426 -5.177 2.724 1.00 0.00 C ATOM 614 O ASN A 38 -7.221 -5.194 2.475 1.00 0.00 O ATOM 615 CB ASN A 38 -9.784 -5.794 4.738 1.00 0.00 C ATOM 616 CG ASN A 38 -9.008 -4.681 5.415 1.00 0.00 C ATOM 617 OD1 ASN A 38 -9.540 -3.598 5.660 1.00 0.00 O ATOM 618 ND2 ASN A 38 -7.743 -4.941 5.721 1.00 0.00 N ATOM 0 H ASN A 38 -7.132 -7.037 3.766 1.00 0.00 H new ATOM 0 HA ASN A 38 -9.828 -6.784 2.834 1.00 0.00 H new ATOM 0 HB2 ASN A 38 -10.775 -5.429 4.469 1.00 0.00 H new ATOM 0 HB3 ASN A 38 -9.927 -6.613 5.443 1.00 0.00 H new ATOM 0 HD21 ASN A 38 -7.172 -4.229 6.177 1.00 0.00 H new ATOM 0 HD22 ASN A 38 -7.342 -5.852 5.500 1.00 0.00 H new ATOM 625 N SER A 39 -9.228 -4.184 2.352 1.00 0.00 N ATOM 626 CA SER A 39 -8.728 -3.031 1.613 1.00 0.00 C ATOM 627 C SER A 39 -8.046 -2.031 2.544 1.00 0.00 C ATOM 628 O SER A 39 -8.707 -1.346 3.325 1.00 0.00 O ATOM 629 CB SER A 39 -9.873 -2.348 0.862 1.00 0.00 C ATOM 630 OG SER A 39 -9.393 -1.641 -0.267 1.00 0.00 O ATOM 0 H SER A 39 -10.228 -4.155 2.551 1.00 0.00 H new ATOM 0 HA SER A 39 -7.989 -3.387 0.895 1.00 0.00 H new ATOM 0 HB2 SER A 39 -10.600 -3.095 0.545 1.00 0.00 H new ATOM 0 HB3 SER A 39 -10.392 -1.662 1.531 1.00 0.00 H new ATOM 0 HG SER A 39 -10.144 -1.215 -0.730 1.00 0.00 H new ATOM 636 N TYR A 40 -6.722 -1.951 2.450 1.00 0.00 N ATOM 637 CA TYR A 40 -5.949 -1.030 3.279 1.00 0.00 C ATOM 638 C TYR A 40 -5.836 0.335 2.606 1.00 0.00 C ATOM 639 O TYR A 40 -5.157 0.481 1.589 1.00 0.00 O ATOM 640 CB TYR A 40 -4.552 -1.597 3.544 1.00 0.00 C ATOM 641 CG TYR A 40 -3.974 -1.193 4.883 1.00 0.00 C ATOM 642 CD1 TYR A 40 -3.512 0.098 5.099 1.00 0.00 C ATOM 643 CD2 TYR A 40 -3.889 -2.104 5.928 1.00 0.00 C ATOM 644 CE1 TYR A 40 -2.981 0.471 6.319 1.00 0.00 C ATOM 645 CE2 TYR A 40 -3.360 -1.739 7.152 1.00 0.00 C ATOM 646 CZ TYR A 40 -2.907 -0.451 7.342 1.00 0.00 C ATOM 647 OH TYR A 40 -2.378 -0.083 8.557 1.00 0.00 O ATOM 0 H TYR A 40 -6.162 -2.512 1.809 1.00 0.00 H new ATOM 0 HA TYR A 40 -6.469 -0.909 4.229 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -4.595 -2.685 3.490 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.879 -1.265 2.753 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -3.568 0.823 4.300 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -4.242 -3.114 5.782 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.626 1.480 6.471 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -3.302 -2.459 7.955 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.400 -0.848 9.169 1.00 0.00 H new ATOM 657 N THR A 41 -6.509 1.330 3.176 1.00 0.00 N ATOM 658 CA THR A 41 -6.485 2.682 2.626 1.00 0.00 C ATOM 659 C THR A 41 -5.825 3.663 3.591 1.00 0.00 C ATOM 660 O THR A 41 -5.964 3.540 4.808 1.00 0.00 O ATOM 661 CB THR A 41 -7.906 3.180 2.301 1.00 0.00 C ATOM 662 OG1 THR A 41 -8.679 2.118 1.727 1.00 0.00 O ATOM 663 CG2 THR A 41 -7.859 4.356 1.337 1.00 0.00 C ATOM 0 H THR A 41 -7.077 1.226 4.017 1.00 0.00 H new ATOM 0 HA THR A 41 -5.901 2.636 1.706 1.00 0.00 H new ATOM 0 HB THR A 41 -8.373 3.508 3.229 1.00 0.00 H new ATOM 0 HG1 THR A 41 -9.581 2.442 1.525 1.00 0.00 H new ATOM 0 HG21 THR A 41 -8.874 4.691 1.122 1.00 0.00 H new ATOM 0 HG22 THR A 41 -7.295 5.173 1.787 1.00 0.00 H new ATOM 0 HG23 THR A 41 -7.375 4.048 0.410 1.00 0.00 H new ATOM 671 N ILE A 42 -5.110 4.636 3.035 1.00 0.00 N ATOM 672 CA ILE A 42 -4.429 5.645 3.840 1.00 0.00 C ATOM 673 C ILE A 42 -5.158 6.983 3.770 1.00 0.00 C ATOM 674 O ILE A 42 -5.404 7.510 2.685 1.00 0.00 O ATOM 675 CB ILE A 42 -2.969 5.841 3.382 1.00 0.00 C ATOM 676 CG1 ILE A 42 -2.244 4.493 3.302 1.00 0.00 C ATOM 677 CG2 ILE A 42 -2.239 6.790 4.323 1.00 0.00 C ATOM 678 CD1 ILE A 42 -2.140 3.773 4.631 1.00 0.00 C ATOM 0 H ILE A 42 -4.987 4.747 2.029 1.00 0.00 H new ATOM 0 HA ILE A 42 -4.431 5.285 4.869 1.00 0.00 H new ATOM 0 HB ILE A 42 -2.976 6.284 2.386 1.00 0.00 H new ATOM 0 HG12 ILE A 42 -2.767 3.852 2.592 1.00 0.00 H new ATOM 0 HG13 ILE A 42 -1.241 4.654 2.907 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -1.210 6.917 3.986 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -2.742 7.757 4.327 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -2.241 6.376 5.331 1.00 0.00 H new ATOM 0 HD11 ILE A 42 -1.615 2.828 4.493 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -1.590 4.393 5.339 1.00 0.00 H new ATOM 0 HD13 ILE A 42 -3.140 3.579 5.019 1.00 0.00 H new ATOM 690 N LYS A 43 -5.504 7.525 4.934 1.00 0.00 N ATOM 691 CA LYS A 43 -6.208 8.800 5.005 1.00 0.00 C ATOM 692 C LYS A 43 -5.389 9.833 5.774 1.00 0.00 C ATOM 693 O LYS A 43 -4.577 9.484 6.630 1.00 0.00 O ATOM 694 CB LYS A 43 -7.573 8.614 5.671 1.00 0.00 C ATOM 695 CG LYS A 43 -8.494 9.813 5.518 1.00 0.00 C ATOM 696 CD LYS A 43 -9.174 9.823 4.158 1.00 0.00 C ATOM 697 CE LYS A 43 -10.553 9.184 4.219 1.00 0.00 C ATOM 698 NZ LYS A 43 -11.406 9.807 5.270 1.00 0.00 N ATOM 0 H LYS A 43 -5.308 7.101 5.841 1.00 0.00 H new ATOM 0 HA LYS A 43 -6.353 9.164 3.988 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -8.059 7.736 5.245 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -7.426 8.413 6.732 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -9.249 9.796 6.304 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -7.922 10.732 5.647 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -9.263 10.849 3.802 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -8.556 9.288 3.437 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -11.042 9.281 3.250 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -10.451 8.117 4.419 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -12.406 9.736 4.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -11.261 9.312 6.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.147 10.808 5.379 1.00 0.00 H new ATOM 712 N GLY A 44 -5.613 11.107 5.463 1.00 0.00 N ATOM 713 CA GLY A 44 -4.892 12.174 6.131 1.00 0.00 C ATOM 714 C GLY A 44 -4.214 13.115 5.156 1.00 0.00 C ATOM 715 O GLY A 44 -3.368 13.921 5.546 1.00 0.00 O ATOM 0 H GLY A 44 -6.282 11.419 4.759 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -5.583 12.740 6.756 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.143 11.742 6.795 1.00 0.00 H new ATOM 719 N LEU A 45 -4.584 13.013 3.884 1.00 0.00 N ATOM 720 CA LEU A 45 -4.005 13.859 2.849 1.00 0.00 C ATOM 721 C LEU A 45 -4.985 14.956 2.441 1.00 0.00 C ATOM 722 O LEU A 45 -5.973 15.202 3.135 1.00 0.00 O ATOM 723 CB LEU A 45 -3.602 13.015 1.635 1.00 0.00 C ATOM 724 CG LEU A 45 -3.268 11.552 1.945 1.00 0.00 C ATOM 725 CD1 LEU A 45 -2.779 10.850 0.696 1.00 0.00 C ATOM 726 CD2 LEU A 45 -2.222 11.450 3.048 1.00 0.00 C ATOM 0 H LEU A 45 -5.283 12.352 3.546 1.00 0.00 H new ATOM 0 HA LEU A 45 -3.110 14.335 3.251 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -4.414 13.040 0.908 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -2.736 13.477 1.162 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.178 11.064 2.294 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.545 9.811 0.930 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -3.556 10.884 -0.068 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -1.884 11.349 0.325 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -2.004 10.401 3.247 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -1.310 11.956 2.732 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.602 11.920 3.955 1.00 0.00 H new ATOM 738 N LYS A 46 -4.710 15.619 1.321 1.00 0.00 N ATOM 739 CA LYS A 46 -5.578 16.692 0.843 1.00 0.00 C ATOM 740 C LYS A 46 -5.337 16.978 -0.639 1.00 0.00 C ATOM 741 O LYS A 46 -4.259 16.694 -1.165 1.00 0.00 O ATOM 742 CB LYS A 46 -5.352 17.957 1.673 1.00 0.00 C ATOM 743 CG LYS A 46 -4.148 18.766 1.231 1.00 0.00 C ATOM 744 CD LYS A 46 -3.310 19.222 2.418 1.00 0.00 C ATOM 745 CE LYS A 46 -2.705 18.042 3.161 1.00 0.00 C ATOM 746 NZ LYS A 46 -3.043 18.065 4.611 1.00 0.00 N ATOM 0 H LYS A 46 -3.899 15.434 0.731 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.613 16.371 0.958 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -6.242 18.584 1.614 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -5.227 17.678 2.719 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -3.533 18.166 0.560 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -4.482 19.636 0.665 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.514 19.881 2.071 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -3.930 19.803 3.100 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.064 17.112 2.719 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.622 18.054 3.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -2.611 17.244 5.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.678 18.940 5.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.076 18.027 4.727 1.00 0.00 H new ATOM 760 N PRO A 47 -6.337 17.551 -1.338 1.00 0.00 N ATOM 761 CA PRO A 47 -6.217 17.874 -2.764 1.00 0.00 C ATOM 762 C PRO A 47 -5.132 18.912 -3.025 1.00 0.00 C ATOM 763 O PRO A 47 -5.315 20.098 -2.751 1.00 0.00 O ATOM 764 CB PRO A 47 -7.597 18.433 -3.132 1.00 0.00 C ATOM 765 CG PRO A 47 -8.194 18.869 -1.840 1.00 0.00 C ATOM 766 CD PRO A 47 -7.656 17.930 -0.798 1.00 0.00 C ATOM 0 HA PRO A 47 -5.933 17.004 -3.355 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -7.512 19.267 -3.829 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -8.213 17.675 -3.616 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -7.923 19.900 -1.613 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -9.282 18.827 -1.879 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -7.569 18.414 0.175 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -8.302 17.062 -0.666 1.00 0.00 H new ATOM 774 N GLY A 48 -4.001 18.454 -3.548 1.00 0.00 N ATOM 775 CA GLY A 48 -2.894 19.349 -3.832 1.00 0.00 C ATOM 776 C GLY A 48 -1.576 18.802 -3.324 1.00 0.00 C ATOM 777 O GLY A 48 -0.507 19.281 -3.704 1.00 0.00 O ATOM 0 H GLY A 48 -3.830 17.476 -3.781 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -2.828 19.513 -4.907 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -3.085 20.319 -3.373 1.00 0.00 H new ATOM 781 N VAL A 49 -1.656 17.793 -2.463 1.00 0.00 N ATOM 782 CA VAL A 49 -0.467 17.168 -1.898 1.00 0.00 C ATOM 783 C VAL A 49 -0.363 15.712 -2.328 1.00 0.00 C ATOM 784 O VAL A 49 -1.290 14.927 -2.124 1.00 0.00 O ATOM 785 CB VAL A 49 -0.473 17.233 -0.360 1.00 0.00 C ATOM 786 CG1 VAL A 49 0.879 16.821 0.201 1.00 0.00 C ATOM 787 CG2 VAL A 49 -0.850 18.625 0.114 1.00 0.00 C ATOM 0 H VAL A 49 -2.536 17.390 -2.141 1.00 0.00 H new ATOM 0 HA VAL A 49 0.392 17.723 -2.274 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.222 16.532 0.009 1.00 0.00 H new ATOM 0 HG11 VAL A 49 0.853 16.874 1.289 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.105 15.800 -0.107 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.650 17.493 -0.177 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.849 18.651 1.204 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.128 19.347 -0.267 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.844 18.878 -0.254 1.00 0.00 H new ATOM 797 N VAL A 50 0.768 15.354 -2.921 1.00 0.00 N ATOM 798 CA VAL A 50 0.987 13.989 -3.378 1.00 0.00 C ATOM 799 C VAL A 50 2.038 13.291 -2.526 1.00 0.00 C ATOM 800 O VAL A 50 3.100 13.849 -2.247 1.00 0.00 O ATOM 801 CB VAL A 50 1.424 13.956 -4.856 1.00 0.00 C ATOM 802 CG1 VAL A 50 1.761 12.536 -5.288 1.00 0.00 C ATOM 803 CG2 VAL A 50 0.336 14.543 -5.742 1.00 0.00 C ATOM 0 H VAL A 50 1.547 15.989 -3.097 1.00 0.00 H new ATOM 0 HA VAL A 50 0.038 13.462 -3.280 1.00 0.00 H new ATOM 0 HB VAL A 50 2.323 14.564 -4.963 1.00 0.00 H new ATOM 0 HG11 VAL A 50 2.067 12.537 -6.334 1.00 0.00 H new ATOM 0 HG12 VAL A 50 2.574 12.152 -4.673 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.883 11.901 -5.167 1.00 0.00 H new ATOM 0 HG21 VAL A 50 0.659 14.513 -6.783 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -0.579 13.961 -5.629 1.00 0.00 H new ATOM 0 HG23 VAL A 50 0.147 15.576 -5.450 1.00 0.00 H new ATOM 813 N TYR A 51 1.734 12.064 -2.113 1.00 0.00 N ATOM 814 CA TYR A 51 2.651 11.287 -1.291 1.00 0.00 C ATOM 815 C TYR A 51 3.242 10.131 -2.090 1.00 0.00 C ATOM 816 O TYR A 51 2.511 9.330 -2.674 1.00 0.00 O ATOM 817 CB TYR A 51 1.931 10.750 -0.051 1.00 0.00 C ATOM 818 CG TYR A 51 1.437 11.834 0.881 1.00 0.00 C ATOM 819 CD1 TYR A 51 0.291 12.562 0.585 1.00 0.00 C ATOM 820 CD2 TYR A 51 2.112 12.127 2.059 1.00 0.00 C ATOM 821 CE1 TYR A 51 -0.167 13.551 1.435 1.00 0.00 C ATOM 822 CE2 TYR A 51 1.661 13.113 2.915 1.00 0.00 C ATOM 823 CZ TYR A 51 0.521 13.821 2.598 1.00 0.00 C ATOM 824 OH TYR A 51 0.068 14.804 3.448 1.00 0.00 O ATOM 0 H TYR A 51 0.860 11.588 -2.335 1.00 0.00 H new ATOM 0 HA TYR A 51 3.462 11.942 -0.974 1.00 0.00 H new ATOM 0 HB2 TYR A 51 1.084 10.142 -0.368 1.00 0.00 H new ATOM 0 HB3 TYR A 51 2.608 10.093 0.496 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -0.251 12.351 -0.325 1.00 0.00 H new ATOM 0 HD2 TYR A 51 3.005 11.574 2.310 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -1.059 14.109 1.189 1.00 0.00 H new ATOM 0 HE2 TYR A 51 2.198 13.328 3.827 1.00 0.00 H new ATOM 0 HH TYR A 51 0.665 14.868 4.222 1.00 0.00 H new ATOM 834 N GLU A 52 4.567 10.046 -2.106 1.00 0.00 N ATOM 835 CA GLU A 52 5.251 8.980 -2.828 1.00 0.00 C ATOM 836 C GLU A 52 5.409 7.762 -1.923 1.00 0.00 C ATOM 837 O GLU A 52 5.827 7.888 -0.776 1.00 0.00 O ATOM 838 CB GLU A 52 6.612 9.476 -3.347 1.00 0.00 C ATOM 839 CG GLU A 52 7.824 8.856 -2.663 1.00 0.00 C ATOM 840 CD GLU A 52 8.566 7.883 -3.560 1.00 0.00 C ATOM 841 OE1 GLU A 52 8.448 8.008 -4.797 1.00 0.00 O ATOM 842 OE2 GLU A 52 9.265 6.999 -3.024 1.00 0.00 O ATOM 0 H GLU A 52 5.187 10.700 -1.629 1.00 0.00 H new ATOM 0 HA GLU A 52 4.654 8.687 -3.692 1.00 0.00 H new ATOM 0 HB2 GLU A 52 6.673 9.273 -4.416 1.00 0.00 H new ATOM 0 HB3 GLU A 52 6.658 10.558 -3.225 1.00 0.00 H new ATOM 0 HG2 GLU A 52 8.505 9.648 -2.351 1.00 0.00 H new ATOM 0 HG3 GLU A 52 7.501 8.338 -1.760 1.00 0.00 H new ATOM 849 N GLY A 53 5.050 6.589 -2.428 1.00 0.00 N ATOM 850 CA GLY A 53 5.148 5.392 -1.618 1.00 0.00 C ATOM 851 C GLY A 53 5.656 4.184 -2.379 1.00 0.00 C ATOM 852 O GLY A 53 5.626 4.146 -3.604 1.00 0.00 O ATOM 0 H GLY A 53 4.696 6.446 -3.374 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.813 5.586 -0.776 1.00 0.00 H new ATOM 0 HA3 GLY A 53 4.167 5.163 -1.203 1.00 0.00 H new ATOM 856 N GLN A 54 6.113 3.193 -1.628 1.00 0.00 N ATOM 857 CA GLN A 54 6.626 1.950 -2.186 1.00 0.00 C ATOM 858 C GLN A 54 6.052 0.762 -1.414 1.00 0.00 C ATOM 859 O GLN A 54 5.721 0.889 -0.235 1.00 0.00 O ATOM 860 CB GLN A 54 8.159 1.937 -2.125 1.00 0.00 C ATOM 861 CG GLN A 54 8.755 0.569 -1.829 1.00 0.00 C ATOM 862 CD GLN A 54 10.086 0.655 -1.106 1.00 0.00 C ATOM 863 OE1 GLN A 54 11.081 0.076 -1.544 1.00 0.00 O ATOM 864 NE2 GLN A 54 10.109 1.380 0.006 1.00 0.00 N ATOM 0 H GLN A 54 6.139 3.228 -0.609 1.00 0.00 H new ATOM 0 HA GLN A 54 6.321 1.873 -3.230 1.00 0.00 H new ATOM 0 HB2 GLN A 54 8.553 2.296 -3.076 1.00 0.00 H new ATOM 0 HB3 GLN A 54 8.488 2.639 -1.359 1.00 0.00 H new ATOM 0 HG2 GLN A 54 8.054 -0.005 -1.224 1.00 0.00 H new ATOM 0 HG3 GLN A 54 8.888 0.025 -2.764 1.00 0.00 H new ATOM 0 HE21 GLN A 54 9.260 1.842 0.331 1.00 0.00 H new ATOM 0 HE22 GLN A 54 10.976 1.475 0.535 1.00 0.00 H new ATOM 873 N LEU A 55 5.941 -0.389 -2.069 1.00 0.00 N ATOM 874 CA LEU A 55 5.413 -1.579 -1.410 1.00 0.00 C ATOM 875 C LEU A 55 6.391 -2.747 -1.495 1.00 0.00 C ATOM 876 O LEU A 55 6.550 -3.356 -2.551 1.00 0.00 O ATOM 877 CB LEU A 55 4.074 -1.985 -2.031 1.00 0.00 C ATOM 878 CG LEU A 55 2.857 -1.832 -1.114 1.00 0.00 C ATOM 879 CD1 LEU A 55 1.608 -2.385 -1.784 1.00 0.00 C ATOM 880 CD2 LEU A 55 3.100 -2.526 0.217 1.00 0.00 C ATOM 0 H LEU A 55 6.206 -0.523 -3.045 1.00 0.00 H new ATOM 0 HA LEU A 55 5.265 -1.331 -0.359 1.00 0.00 H new ATOM 0 HB2 LEU A 55 3.911 -1.387 -2.927 1.00 0.00 H new ATOM 0 HB3 LEU A 55 4.140 -3.025 -2.350 1.00 0.00 H new ATOM 0 HG LEU A 55 2.703 -0.770 -0.925 1.00 0.00 H new ATOM 0 HD11 LEU A 55 0.754 -2.267 -1.116 1.00 0.00 H new ATOM 0 HD12 LEU A 55 1.422 -1.842 -2.711 1.00 0.00 H new ATOM 0 HD13 LEU A 55 1.752 -3.443 -2.005 1.00 0.00 H new ATOM 0 HD21 LEU A 55 2.224 -2.406 0.855 1.00 0.00 H new ATOM 0 HD22 LEU A 55 3.282 -3.587 0.046 1.00 0.00 H new ATOM 0 HD23 LEU A 55 3.968 -2.083 0.705 1.00 0.00 H new ATOM 892 N ILE A 56 7.028 -3.068 -0.370 1.00 0.00 N ATOM 893 CA ILE A 56 7.972 -4.179 -0.317 1.00 0.00 C ATOM 894 C ILE A 56 7.271 -5.445 0.158 1.00 0.00 C ATOM 895 O ILE A 56 6.447 -5.402 1.069 1.00 0.00 O ATOM 896 CB ILE A 56 9.170 -3.883 0.612 1.00 0.00 C ATOM 897 CG1 ILE A 56 10.062 -2.805 0.007 1.00 0.00 C ATOM 898 CG2 ILE A 56 9.984 -5.140 0.851 1.00 0.00 C ATOM 899 CD1 ILE A 56 11.090 -2.251 0.970 1.00 0.00 C ATOM 0 H ILE A 56 6.907 -2.575 0.514 1.00 0.00 H new ATOM 0 HA ILE A 56 8.354 -4.320 -1.328 1.00 0.00 H new ATOM 0 HB ILE A 56 8.777 -3.528 1.565 1.00 0.00 H new ATOM 0 HG12 ILE A 56 10.576 -3.217 -0.861 1.00 0.00 H new ATOM 0 HG13 ILE A 56 9.436 -1.988 -0.351 1.00 0.00 H new ATOM 0 HG21 ILE A 56 10.823 -4.911 1.508 1.00 0.00 H new ATOM 0 HG22 ILE A 56 9.355 -5.898 1.318 1.00 0.00 H new ATOM 0 HG23 ILE A 56 10.360 -5.516 -0.100 1.00 0.00 H new ATOM 0 HD11 ILE A 56 11.686 -1.490 0.467 1.00 0.00 H new ATOM 0 HD12 ILE A 56 10.584 -1.808 1.827 1.00 0.00 H new ATOM 0 HD13 ILE A 56 11.741 -3.056 1.310 1.00 0.00 H new ATOM 911 N SER A 57 7.592 -6.567 -0.472 1.00 0.00 N ATOM 912 CA SER A 57 6.978 -7.837 -0.117 1.00 0.00 C ATOM 913 C SER A 57 8.020 -8.847 0.342 1.00 0.00 C ATOM 914 O SER A 57 8.923 -9.219 -0.407 1.00 0.00 O ATOM 915 CB SER A 57 6.196 -8.387 -1.304 1.00 0.00 C ATOM 916 OG SER A 57 6.682 -9.659 -1.698 1.00 0.00 O ATOM 0 H SER A 57 8.273 -6.623 -1.230 1.00 0.00 H new ATOM 0 HA SER A 57 6.294 -7.663 0.714 1.00 0.00 H new ATOM 0 HB2 SER A 57 5.141 -8.464 -1.042 1.00 0.00 H new ATOM 0 HB3 SER A 57 6.267 -7.693 -2.142 1.00 0.00 H new ATOM 0 HG SER A 57 6.067 -10.057 -2.349 1.00 0.00 H new ATOM 922 N ILE A 58 7.873 -9.286 1.580 1.00 0.00 N ATOM 923 CA ILE A 58 8.781 -10.262 2.166 1.00 0.00 C ATOM 924 C ILE A 58 8.056 -11.573 2.449 1.00 0.00 C ATOM 925 O ILE A 58 7.033 -11.592 3.136 1.00 0.00 O ATOM 926 CB ILE A 58 9.409 -9.738 3.473 1.00 0.00 C ATOM 927 CG1 ILE A 58 10.064 -8.376 3.238 1.00 0.00 C ATOM 928 CG2 ILE A 58 10.426 -10.736 4.009 1.00 0.00 C ATOM 929 CD1 ILE A 58 10.264 -7.571 4.503 1.00 0.00 C ATOM 0 H ILE A 58 7.127 -8.980 2.205 1.00 0.00 H new ATOM 0 HA ILE A 58 9.576 -10.435 1.441 1.00 0.00 H new ATOM 0 HB ILE A 58 8.621 -9.618 4.216 1.00 0.00 H new ATOM 0 HG12 ILE A 58 11.030 -8.526 2.757 1.00 0.00 H new ATOM 0 HG13 ILE A 58 9.449 -7.801 2.546 1.00 0.00 H new ATOM 0 HG21 ILE A 58 10.861 -10.352 4.932 1.00 0.00 H new ATOM 0 HG22 ILE A 58 9.932 -11.687 4.209 1.00 0.00 H new ATOM 0 HG23 ILE A 58 11.214 -10.884 3.271 1.00 0.00 H new ATOM 0 HD11 ILE A 58 10.733 -6.618 4.258 1.00 0.00 H new ATOM 0 HD12 ILE A 58 9.298 -7.389 4.975 1.00 0.00 H new ATOM 0 HD13 ILE A 58 10.905 -8.125 5.189 1.00 0.00 H new ATOM 941 N GLN A 59 8.589 -12.666 1.915 1.00 0.00 N ATOM 942 CA GLN A 59 7.988 -13.980 2.114 1.00 0.00 C ATOM 943 C GLN A 59 8.827 -14.821 3.069 1.00 0.00 C ATOM 944 O GLN A 59 9.919 -14.419 3.471 1.00 0.00 O ATOM 945 CB GLN A 59 7.825 -14.703 0.774 1.00 0.00 C ATOM 946 CG GLN A 59 8.782 -14.226 -0.305 1.00 0.00 C ATOM 947 CD GLN A 59 8.404 -14.738 -1.679 1.00 0.00 C ATOM 948 OE1 GLN A 59 8.345 -13.978 -2.646 1.00 0.00 O ATOM 949 NE2 GLN A 59 8.141 -16.037 -1.771 1.00 0.00 N ATOM 0 H GLN A 59 9.433 -12.669 1.343 1.00 0.00 H new ATOM 0 HA GLN A 59 7.002 -13.838 2.557 1.00 0.00 H new ATOM 0 HB2 GLN A 59 7.972 -15.772 0.929 1.00 0.00 H new ATOM 0 HB3 GLN A 59 6.802 -14.570 0.423 1.00 0.00 H new ATOM 0 HG2 GLN A 59 8.797 -13.136 -0.318 1.00 0.00 H new ATOM 0 HG3 GLN A 59 9.792 -14.556 -0.063 1.00 0.00 H new ATOM 0 HE21 GLN A 59 8.202 -16.630 -0.943 1.00 0.00 H new ATOM 0 HE22 GLN A 59 7.878 -16.442 -2.670 1.00 0.00 H new ATOM 958 N GLN A 60 8.306 -15.989 3.433 1.00 0.00 N ATOM 959 CA GLN A 60 9.004 -16.886 4.348 1.00 0.00 C ATOM 960 C GLN A 60 10.290 -17.419 3.725 1.00 0.00 C ATOM 961 O GLN A 60 11.174 -17.907 4.429 1.00 0.00 O ATOM 962 CB GLN A 60 8.095 -18.051 4.745 1.00 0.00 C ATOM 963 CG GLN A 60 7.327 -18.652 3.580 1.00 0.00 C ATOM 964 CD GLN A 60 6.013 -19.277 4.010 1.00 0.00 C ATOM 965 OE1 GLN A 60 4.945 -18.896 3.531 1.00 0.00 O ATOM 966 NE2 GLN A 60 6.087 -20.243 4.916 1.00 0.00 N ATOM 0 H GLN A 60 7.403 -16.336 3.109 1.00 0.00 H new ATOM 0 HA GLN A 60 9.267 -16.316 5.239 1.00 0.00 H new ATOM 0 HB2 GLN A 60 8.700 -18.830 5.210 1.00 0.00 H new ATOM 0 HB3 GLN A 60 7.385 -17.706 5.497 1.00 0.00 H new ATOM 0 HG2 GLN A 60 7.131 -17.877 2.839 1.00 0.00 H new ATOM 0 HG3 GLN A 60 7.944 -19.408 3.094 1.00 0.00 H new ATOM 0 HE21 GLN A 60 6.994 -20.527 5.286 1.00 0.00 H new ATOM 0 HE22 GLN A 60 5.237 -20.702 5.243 1.00 0.00 H new ATOM 975 N TYR A 61 10.389 -17.327 2.402 1.00 0.00 N ATOM 976 CA TYR A 61 11.570 -17.805 1.692 1.00 0.00 C ATOM 977 C TYR A 61 12.477 -16.645 1.294 1.00 0.00 C ATOM 978 O TYR A 61 13.435 -16.824 0.541 1.00 0.00 O ATOM 979 CB TYR A 61 11.158 -18.601 0.452 1.00 0.00 C ATOM 980 CG TYR A 61 10.158 -19.698 0.744 1.00 0.00 C ATOM 981 CD1 TYR A 61 10.529 -20.829 1.460 1.00 0.00 C ATOM 982 CD2 TYR A 61 8.843 -19.599 0.304 1.00 0.00 C ATOM 983 CE1 TYR A 61 9.617 -21.832 1.730 1.00 0.00 C ATOM 984 CE2 TYR A 61 7.927 -20.598 0.571 1.00 0.00 C ATOM 985 CZ TYR A 61 8.318 -21.712 1.284 1.00 0.00 C ATOM 986 OH TYR A 61 7.408 -22.708 1.552 1.00 0.00 O ATOM 0 H TYR A 61 9.668 -16.927 1.802 1.00 0.00 H new ATOM 0 HA TYR A 61 12.127 -18.458 2.364 1.00 0.00 H new ATOM 0 HB2 TYR A 61 10.732 -17.918 -0.283 1.00 0.00 H new ATOM 0 HB3 TYR A 61 12.047 -19.041 0.001 1.00 0.00 H new ATOM 0 HD1 TYR A 61 11.546 -20.926 1.811 1.00 0.00 H new ATOM 0 HD2 TYR A 61 8.533 -18.728 -0.255 1.00 0.00 H new ATOM 0 HE1 TYR A 61 9.921 -22.706 2.288 1.00 0.00 H new ATOM 0 HE2 TYR A 61 6.909 -20.507 0.223 1.00 0.00 H new ATOM 0 HH TYR A 61 6.538 -22.468 1.169 1.00 0.00 H new ATOM 996 N GLY A 62 12.172 -15.458 1.810 1.00 0.00 N ATOM 997 CA GLY A 62 12.972 -14.286 1.503 1.00 0.00 C ATOM 998 C GLY A 62 12.374 -13.440 0.397 1.00 0.00 C ATOM 999 O GLY A 62 11.304 -12.854 0.567 1.00 0.00 O ATOM 0 H GLY A 62 11.385 -15.287 2.436 1.00 0.00 H new ATOM 0 HA2 GLY A 62 13.078 -13.679 2.402 1.00 0.00 H new ATOM 0 HA3 GLY A 62 13.974 -14.602 1.212 1.00 0.00 H new ATOM 1003 N HIS A 63 13.072 -13.369 -0.735 1.00 0.00 N ATOM 1004 CA HIS A 63 12.612 -12.583 -1.877 1.00 0.00 C ATOM 1005 C HIS A 63 12.360 -11.135 -1.476 1.00 0.00 C ATOM 1006 O HIS A 63 12.632 -10.740 -0.342 1.00 0.00 O ATOM 1007 CB HIS A 63 11.335 -13.184 -2.465 1.00 0.00 C ATOM 1008 CG HIS A 63 11.466 -13.576 -3.905 1.00 0.00 C ATOM 1009 ND1 HIS A 63 12.634 -14.098 -4.402 1.00 0.00 N ATOM 1010 CD2 HIS A 63 10.552 -13.502 -4.903 1.00 0.00 C ATOM 1011 CE1 HIS A 63 12.410 -14.329 -5.683 1.00 0.00 C ATOM 1012 NE2 HIS A 63 11.162 -13.984 -6.033 1.00 0.00 N ATOM 0 H HIS A 63 13.960 -13.848 -0.885 1.00 0.00 H new ATOM 0 HA HIS A 63 13.397 -12.605 -2.633 1.00 0.00 H new ATOM 0 HB2 HIS A 63 11.054 -14.061 -1.882 1.00 0.00 H new ATOM 0 HB3 HIS A 63 10.524 -12.462 -2.366 1.00 0.00 H new ATOM 0 HD2 HIS A 63 9.539 -13.135 -4.824 1.00 0.00 H new ATOM 0 HE1 HIS A 63 13.140 -14.743 -6.363 1.00 0.00 H new ATOM 0 HE2 HIS A 63 10.746 -14.065 -6.961 1.00 0.00 H new ATOM 1020 N GLN A 64 11.837 -10.349 -2.413 1.00 0.00 N ATOM 1021 CA GLN A 64 11.545 -8.944 -2.155 1.00 0.00 C ATOM 1022 C GLN A 64 10.811 -8.304 -3.331 1.00 0.00 C ATOM 1023 O GLN A 64 11.427 -7.910 -4.321 1.00 0.00 O ATOM 1024 CB GLN A 64 12.837 -8.176 -1.872 1.00 0.00 C ATOM 1025 CG GLN A 64 13.002 -7.791 -0.411 1.00 0.00 C ATOM 1026 CD GLN A 64 13.127 -6.293 -0.211 1.00 0.00 C ATOM 1027 OE1 GLN A 64 13.137 -5.524 -1.173 1.00 0.00 O ATOM 1028 NE2 GLN A 64 13.225 -5.870 1.043 1.00 0.00 N ATOM 0 H GLN A 64 11.607 -10.662 -3.356 1.00 0.00 H new ATOM 0 HA GLN A 64 10.897 -8.895 -1.280 1.00 0.00 H new ATOM 0 HB2 GLN A 64 13.688 -8.785 -2.178 1.00 0.00 H new ATOM 0 HB3 GLN A 64 12.856 -7.273 -2.482 1.00 0.00 H new ATOM 0 HG2 GLN A 64 12.147 -8.159 0.156 1.00 0.00 H new ATOM 0 HG3 GLN A 64 13.887 -8.282 -0.008 1.00 0.00 H new ATOM 0 HE21 GLN A 64 13.212 -6.542 1.810 1.00 0.00 H new ATOM 0 HE22 GLN A 64 13.313 -4.873 1.240 1.00 0.00 H new ATOM 1037 N GLU A 65 9.492 -8.194 -3.206 1.00 0.00 N ATOM 1038 CA GLU A 65 8.670 -7.591 -4.248 1.00 0.00 C ATOM 1039 C GLU A 65 8.405 -6.133 -3.915 1.00 0.00 C ATOM 1040 O GLU A 65 7.789 -5.821 -2.899 1.00 0.00 O ATOM 1041 CB GLU A 65 7.350 -8.350 -4.381 1.00 0.00 C ATOM 1042 CG GLU A 65 6.895 -8.542 -5.818 1.00 0.00 C ATOM 1043 CD GLU A 65 5.593 -9.314 -5.916 1.00 0.00 C ATOM 1044 OE1 GLU A 65 5.578 -10.504 -5.535 1.00 0.00 O ATOM 1045 OE2 GLU A 65 4.588 -8.729 -6.371 1.00 0.00 O ATOM 0 H GLU A 65 8.969 -8.516 -2.391 1.00 0.00 H new ATOM 0 HA GLU A 65 9.202 -7.647 -5.198 1.00 0.00 H new ATOM 0 HB2 GLU A 65 7.454 -9.327 -3.909 1.00 0.00 H new ATOM 0 HB3 GLU A 65 6.576 -7.813 -3.833 1.00 0.00 H new ATOM 0 HG2 GLU A 65 6.772 -7.567 -6.290 1.00 0.00 H new ATOM 0 HG3 GLU A 65 7.670 -9.070 -6.374 1.00 0.00 H new ATOM 1052 N VAL A 66 8.899 -5.238 -4.759 1.00 0.00 N ATOM 1053 CA VAL A 66 8.738 -3.815 -4.515 1.00 0.00 C ATOM 1054 C VAL A 66 8.227 -3.063 -5.739 1.00 0.00 C ATOM 1055 O VAL A 66 8.755 -3.203 -6.842 1.00 0.00 O ATOM 1056 CB VAL A 66 10.071 -3.207 -4.051 1.00 0.00 C ATOM 1057 CG1 VAL A 66 11.223 -3.798 -4.846 1.00 0.00 C ATOM 1058 CG2 VAL A 66 10.053 -1.688 -4.161 1.00 0.00 C ATOM 0 H VAL A 66 9.410 -5.471 -5.611 1.00 0.00 H new ATOM 0 HA VAL A 66 7.986 -3.709 -3.733 1.00 0.00 H new ATOM 0 HB VAL A 66 10.213 -3.456 -2.999 1.00 0.00 H new ATOM 0 HG11 VAL A 66 12.162 -3.359 -4.508 1.00 0.00 H new ATOM 0 HG12 VAL A 66 11.252 -4.877 -4.696 1.00 0.00 H new ATOM 0 HG13 VAL A 66 11.083 -3.582 -5.905 1.00 0.00 H new ATOM 0 HG21 VAL A 66 11.010 -1.288 -3.826 1.00 0.00 H new ATOM 0 HG22 VAL A 66 9.883 -1.400 -5.199 1.00 0.00 H new ATOM 0 HG23 VAL A 66 9.253 -1.288 -3.538 1.00 0.00 H new ATOM 1068 N THR A 67 7.200 -2.248 -5.517 1.00 0.00 N ATOM 1069 CA THR A 67 6.603 -1.442 -6.571 1.00 0.00 C ATOM 1070 C THR A 67 6.304 -0.035 -6.058 1.00 0.00 C ATOM 1071 O THR A 67 5.619 0.131 -5.048 1.00 0.00 O ATOM 1072 CB THR A 67 5.302 -2.078 -7.099 1.00 0.00 C ATOM 1073 OG1 THR A 67 5.585 -3.351 -7.693 1.00 0.00 O ATOM 1074 CG2 THR A 67 4.629 -1.175 -8.121 1.00 0.00 C ATOM 0 H THR A 67 6.761 -2.130 -4.604 1.00 0.00 H new ATOM 0 HA THR A 67 7.321 -1.390 -7.390 1.00 0.00 H new ATOM 0 HB THR A 67 4.624 -2.212 -6.256 1.00 0.00 H new ATOM 0 HG1 THR A 67 4.753 -3.749 -8.025 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.714 -1.648 -8.477 1.00 0.00 H new ATOM 0 HG22 THR A 67 4.387 -0.218 -7.658 1.00 0.00 H new ATOM 0 HG23 THR A 67 5.303 -1.011 -8.961 1.00 0.00 H new ATOM 1082 N ARG A 68 6.823 0.974 -6.750 1.00 0.00 N ATOM 1083 CA ARG A 68 6.607 2.361 -6.349 1.00 0.00 C ATOM 1084 C ARG A 68 5.270 2.876 -6.880 1.00 0.00 C ATOM 1085 O ARG A 68 4.822 2.471 -7.953 1.00 0.00 O ATOM 1086 CB ARG A 68 7.752 3.246 -6.850 1.00 0.00 C ATOM 1087 CG ARG A 68 9.111 2.559 -6.829 1.00 0.00 C ATOM 1088 CD ARG A 68 10.117 3.331 -5.990 1.00 0.00 C ATOM 1089 NE ARG A 68 11.094 2.449 -5.356 1.00 0.00 N ATOM 1090 CZ ARG A 68 12.199 2.016 -5.956 1.00 0.00 C ATOM 1091 NH1 ARG A 68 12.469 2.381 -7.203 1.00 0.00 N ATOM 1092 NH2 ARG A 68 13.036 1.216 -5.309 1.00 0.00 N ATOM 0 H ARG A 68 7.394 0.859 -7.588 1.00 0.00 H new ATOM 0 HA ARG A 68 6.583 2.401 -5.260 1.00 0.00 H new ATOM 0 HB2 ARG A 68 7.533 3.567 -7.868 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.800 4.145 -6.236 1.00 0.00 H new ATOM 0 HG2 ARG A 68 9.003 1.550 -6.431 1.00 0.00 H new ATOM 0 HG3 ARG A 68 9.485 2.461 -7.848 1.00 0.00 H new ATOM 0 HD2 ARG A 68 10.636 4.053 -6.620 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.590 3.898 -5.223 1.00 0.00 H new ATOM 0 HE ARG A 68 10.918 2.148 -4.397 1.00 0.00 H new ATOM 0 HH11 ARG A 68 11.828 2.996 -7.705 1.00 0.00 H new ATOM 0 HH12 ARG A 68 13.318 2.047 -7.660 1.00 0.00 H new ATOM 0 HH21 ARG A 68 12.832 0.932 -4.351 1.00 0.00 H new ATOM 0 HH22 ARG A 68 13.883 0.884 -5.770 1.00 0.00 H new ATOM 1106 N PHE A 69 4.633 3.763 -6.118 1.00 0.00 N ATOM 1107 CA PHE A 69 3.343 4.323 -6.507 1.00 0.00 C ATOM 1108 C PHE A 69 3.095 5.677 -5.847 1.00 0.00 C ATOM 1109 O PHE A 69 3.637 5.972 -4.783 1.00 0.00 O ATOM 1110 CB PHE A 69 2.210 3.358 -6.138 1.00 0.00 C ATOM 1111 CG PHE A 69 2.381 2.677 -4.803 1.00 0.00 C ATOM 1112 CD1 PHE A 69 2.622 3.412 -3.649 1.00 0.00 C ATOM 1113 CD2 PHE A 69 2.294 1.299 -4.705 1.00 0.00 C ATOM 1114 CE1 PHE A 69 2.774 2.782 -2.426 1.00 0.00 C ATOM 1115 CE2 PHE A 69 2.444 0.665 -3.486 1.00 0.00 C ATOM 1116 CZ PHE A 69 2.685 1.407 -2.346 1.00 0.00 C ATOM 0 H PHE A 69 4.990 4.109 -5.227 1.00 0.00 H new ATOM 0 HA PHE A 69 3.363 4.468 -7.587 1.00 0.00 H new ATOM 0 HB2 PHE A 69 1.268 3.907 -6.134 1.00 0.00 H new ATOM 0 HB3 PHE A 69 2.131 2.596 -6.913 1.00 0.00 H new ATOM 0 HD1 PHE A 69 2.692 4.488 -3.707 1.00 0.00 H new ATOM 0 HD2 PHE A 69 2.107 0.712 -5.592 1.00 0.00 H new ATOM 0 HE1 PHE A 69 2.962 3.365 -1.536 1.00 0.00 H new ATOM 0 HE2 PHE A 69 2.373 -0.411 -3.425 1.00 0.00 H new ATOM 0 HZ PHE A 69 2.804 0.912 -1.394 1.00 0.00 H new ATOM 1126 N ASP A 70 2.250 6.480 -6.480 1.00 0.00 N ATOM 1127 CA ASP A 70 1.890 7.793 -5.957 1.00 0.00 C ATOM 1128 C ASP A 70 0.399 7.815 -5.645 1.00 0.00 C ATOM 1129 O ASP A 70 -0.408 7.349 -6.447 1.00 0.00 O ATOM 1130 CB ASP A 70 2.235 8.889 -6.970 1.00 0.00 C ATOM 1131 CG ASP A 70 3.719 9.200 -7.006 1.00 0.00 C ATOM 1132 OD1 ASP A 70 4.462 8.661 -6.157 1.00 0.00 O ATOM 1133 OD2 ASP A 70 4.140 9.982 -7.883 1.00 0.00 O ATOM 0 H ASP A 70 1.798 6.243 -7.363 1.00 0.00 H new ATOM 0 HA ASP A 70 2.457 7.983 -5.045 1.00 0.00 H new ATOM 0 HB2 ASP A 70 1.908 8.578 -7.962 1.00 0.00 H new ATOM 0 HB3 ASP A 70 1.683 9.796 -6.722 1.00 0.00 H new ATOM 1138 N PHE A 71 0.029 8.321 -4.473 1.00 0.00 N ATOM 1139 CA PHE A 71 -1.377 8.342 -4.094 1.00 0.00 C ATOM 1140 C PHE A 71 -1.740 9.540 -3.219 1.00 0.00 C ATOM 1141 O PHE A 71 -0.923 10.044 -2.448 1.00 0.00 O ATOM 1142 CB PHE A 71 -1.729 7.040 -3.365 1.00 0.00 C ATOM 1143 CG PHE A 71 -1.273 7.005 -1.930 1.00 0.00 C ATOM 1144 CD1 PHE A 71 -2.087 7.488 -0.915 1.00 0.00 C ATOM 1145 CD2 PHE A 71 -0.030 6.491 -1.597 1.00 0.00 C ATOM 1146 CE1 PHE A 71 -1.669 7.459 0.401 1.00 0.00 C ATOM 1147 CE2 PHE A 71 0.394 6.459 -0.282 1.00 0.00 C ATOM 1148 CZ PHE A 71 -0.427 6.944 0.719 1.00 0.00 C ATOM 0 H PHE A 71 0.669 8.714 -3.783 1.00 0.00 H new ATOM 0 HA PHE A 71 -1.957 8.434 -5.012 1.00 0.00 H new ATOM 0 HB2 PHE A 71 -2.809 6.897 -3.397 1.00 0.00 H new ATOM 0 HB3 PHE A 71 -1.281 6.202 -3.900 1.00 0.00 H new ATOM 0 HD1 PHE A 71 -3.059 7.891 -1.157 1.00 0.00 H new ATOM 0 HD2 PHE A 71 0.616 6.111 -2.375 1.00 0.00 H new ATOM 0 HE1 PHE A 71 -2.312 7.839 1.181 1.00 0.00 H new ATOM 0 HE2 PHE A 71 1.365 6.056 -0.037 1.00 0.00 H new ATOM 0 HZ PHE A 71 -0.098 6.920 1.747 1.00 0.00 H new ATOM 1158 N THR A 72 -2.998 9.962 -3.339 1.00 0.00 N ATOM 1159 CA THR A 72 -3.542 11.068 -2.565 1.00 0.00 C ATOM 1160 C THR A 72 -5.021 10.811 -2.289 1.00 0.00 C ATOM 1161 O THR A 72 -5.624 9.926 -2.897 1.00 0.00 O ATOM 1162 CB THR A 72 -3.393 12.428 -3.277 1.00 0.00 C ATOM 1163 OG1 THR A 72 -4.624 12.778 -3.913 1.00 0.00 O ATOM 1164 CG2 THR A 72 -2.273 12.400 -4.308 1.00 0.00 C ATOM 0 H THR A 72 -3.670 9.541 -3.981 1.00 0.00 H new ATOM 0 HA THR A 72 -2.973 11.121 -1.637 1.00 0.00 H new ATOM 0 HB THR A 72 -3.140 13.175 -2.524 1.00 0.00 H new ATOM 0 HG1 THR A 72 -4.525 13.643 -4.363 1.00 0.00 H new ATOM 0 HG21 THR A 72 -2.197 13.375 -4.790 1.00 0.00 H new ATOM 0 HG22 THR A 72 -1.330 12.165 -3.815 1.00 0.00 H new ATOM 0 HG23 THR A 72 -2.489 11.640 -5.059 1.00 0.00 H new