USER MOD reduce.3.24.130724 H: found=0, std=0, add=389, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 307 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 20 LYS NZ :NH3+ -148:sc= -0.0587 (180deg=-0.411) USER MOD Set 1.2: A 54 THR OG1 : rot -103:sc= 0.664 USER MOD Set 2.1: A 31 THR OG1 : rot 136:sc= 1.47 USER MOD Set 2.2: A 33 CYS SG : rot -44:sc= 2.31 USER MOD Set 2.3: A 35 HIS : no HE2:sc= -3.94 K(o=-4.4,f=-11!) USER MOD Set 2.4: A 53 CYS SG : rot 163:sc= -4.29! USER MOD Set 2.5: A 56 CYS SG : rot -25:sc= 0.0463 USER MOD Set 3.1: A 18 CYS SG : rot 154:sc= -0.767 USER MOD Set 3.2: A 21 CYS SG : rot -40:sc= -7.42! USER MOD Set 3.3: A 38 CYS SG : rot -136:sc= 1.15 USER MOD Set 3.4: A 41 CYS SG : rot 91:sc= -2.07 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 HIS : no HD1:sc= -3.97! C(o=-4!,f=-2.8!) USER MOD Single : A 26 CYS SG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 40:sc= 1.09 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= -0.128 K(o=-0.13,f=-0.67) USER MOD Single : A 40 SER OG : rot 180:sc= -0.156 USER MOD Single : A 42 MET CE :methyl 177:sc= -8.01! (180deg=-8.41!) USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot -50:sc= 1.16 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 26:sc= -0.215! USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 GLN : amide:sc= -0.0646 X(o=-0.065,f=0) USER MOD Single : A 59 SER OG : rot 67:sc= 0.0295 USER MOD Single : A 62 LYS NZ :NH3+ 145:sc= -0.198 (180deg=-1.79!) USER MOD Single : A 64 LYS NZ :NH3+ 152:sc= -0.161 (180deg=-0.798) USER MOD ----------------------------------------------------------------- ATOM 187 N TYR A 16 -14.135 8.006 1.905 1.00 0.00 N ATOM 188 CA TYR A 16 -13.509 7.175 2.926 1.00 0.00 C ATOM 189 C TYR A 16 -12.482 7.971 3.725 1.00 0.00 C ATOM 190 O TYR A 16 -12.141 9.100 3.370 1.00 0.00 O ATOM 191 CB TYR A 16 -12.839 5.959 2.282 1.00 0.00 C ATOM 192 CG TYR A 16 -13.754 5.177 1.368 1.00 0.00 C ATOM 193 CD1 TYR A 16 -13.905 5.532 0.033 1.00 0.00 C ATOM 194 CD2 TYR A 16 -14.470 4.082 1.838 1.00 0.00 C ATOM 195 CE1 TYR A 16 -14.741 4.821 -0.806 1.00 0.00 C ATOM 196 CE2 TYR A 16 -15.306 3.364 1.006 1.00 0.00 C ATOM 197 CZ TYR A 16 -15.438 3.738 -0.315 1.00 0.00 C ATOM 198 OH TYR A 16 -16.273 3.026 -1.147 1.00 0.00 O ATOM 0 HA TYR A 16 -14.288 6.835 3.609 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -11.970 6.292 1.714 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -12.473 5.298 3.068 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -13.359 6.379 -0.356 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -14.371 3.788 2.872 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -14.848 5.112 -1.841 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -15.853 2.515 1.387 1.00 0.00 H new ATOM 0 HH TYR A 16 -16.688 2.293 -0.645 1.00 0.00 H new ATOM 207 N LYS A 17 -11.990 7.375 4.805 1.00 0.00 N ATOM 208 CA LYS A 17 -11.001 8.025 5.655 1.00 0.00 C ATOM 209 C LYS A 17 -10.095 6.996 6.323 1.00 0.00 C ATOM 210 O LYS A 17 -10.551 5.930 6.739 1.00 0.00 O ATOM 211 CB LYS A 17 -11.694 8.877 6.721 1.00 0.00 C ATOM 212 CG LYS A 17 -10.837 9.132 7.948 1.00 0.00 C ATOM 213 CD LYS A 17 -11.328 8.336 9.147 1.00 0.00 C ATOM 214 CE LYS A 17 -12.261 9.162 10.019 1.00 0.00 C ATOM 215 NZ LYS A 17 -13.506 8.419 10.359 1.00 0.00 N ATOM 0 H LYS A 17 -12.261 6.441 5.113 1.00 0.00 H new ATOM 0 HA LYS A 17 -10.387 8.669 5.026 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -11.978 9.833 6.282 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -12.615 8.381 7.028 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -9.802 8.865 7.732 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -10.849 10.195 8.187 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -11.846 7.441 8.803 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -10.475 8.003 9.738 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -11.745 9.445 10.937 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -12.519 10.086 9.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -14.115 9.016 10.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -14.012 8.171 9.485 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -13.262 7.550 10.876 1.00 0.00 H new ATOM 225 N CYS A 18 -8.810 7.320 6.421 1.00 0.00 N ATOM 226 CA CYS A 18 -7.840 6.423 7.039 1.00 0.00 C ATOM 227 C CYS A 18 -8.157 6.212 8.516 1.00 0.00 C ATOM 228 O CYS A 18 -8.529 7.150 9.221 1.00 0.00 O ATOM 229 CB CYS A 18 -6.425 6.985 6.885 1.00 0.00 C ATOM 230 SG CYS A 18 -5.157 6.074 7.823 1.00 0.00 S ATOM 0 H CYS A 18 -8.416 8.197 6.080 1.00 0.00 H new ATOM 0 HA CYS A 18 -7.899 5.460 6.532 1.00 0.00 H new ATOM 0 HB2 CYS A 18 -6.156 6.978 5.829 1.00 0.00 H new ATOM 0 HB3 CYS A 18 -6.422 8.026 7.207 1.00 0.00 H new ATOM 0 HG CYS A 18 -4.000 6.226 7.249 1.00 0.00 H new ATOM 234 N GLU A 19 -8.008 4.975 8.978 1.00 0.00 N ATOM 235 CA GLU A 19 -8.280 4.641 10.371 1.00 0.00 C ATOM 236 C GLU A 19 -7.065 4.933 11.246 1.00 0.00 C ATOM 237 O GLU A 19 -6.883 4.321 12.300 1.00 0.00 O ATOM 238 CB GLU A 19 -8.673 3.168 10.498 1.00 0.00 C ATOM 239 CG GLU A 19 -10.174 2.934 10.482 1.00 0.00 C ATOM 240 CD GLU A 19 -10.927 3.920 11.354 1.00 0.00 C ATOM 241 OE1 GLU A 19 -10.828 3.811 12.594 1.00 0.00 O ATOM 242 OE2 GLU A 19 -11.615 4.801 10.796 1.00 0.00 O ATOM 0 H GLU A 19 -7.700 4.187 8.408 1.00 0.00 H new ATOM 0 HA GLU A 19 -9.109 5.261 10.712 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -8.218 2.608 9.681 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -8.262 2.770 11.426 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -10.539 3.008 9.458 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -10.384 1.920 10.822 1.00 0.00 H new ATOM 247 N LYS A 20 -6.236 5.871 10.804 1.00 0.00 N ATOM 248 CA LYS A 20 -5.037 6.247 11.546 1.00 0.00 C ATOM 249 C LYS A 20 -4.924 7.763 11.665 1.00 0.00 C ATOM 250 O LYS A 20 -4.966 8.314 12.767 1.00 0.00 O ATOM 251 CB LYS A 20 -3.790 5.684 10.860 1.00 0.00 C ATOM 252 CG LYS A 20 -2.928 4.830 11.773 1.00 0.00 C ATOM 253 CD LYS A 20 -2.014 3.912 10.978 1.00 0.00 C ATOM 254 CE LYS A 20 -1.316 2.905 11.879 1.00 0.00 C ATOM 255 NZ LYS A 20 -1.125 3.433 13.258 1.00 0.00 N ATOM 0 H LYS A 20 -6.372 6.386 9.934 1.00 0.00 H new ATOM 0 HA LYS A 20 -5.114 5.826 12.549 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -4.096 5.088 10.001 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -3.191 6.511 10.477 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -2.328 5.474 12.416 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -3.566 4.234 12.425 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -2.595 3.384 10.222 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.269 4.507 10.450 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -1.902 1.987 11.920 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -0.347 2.646 11.452 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -0.251 3.040 13.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -1.056 4.470 13.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.935 3.158 13.850 1.00 0.00 H new ATOM 265 N CYS A 21 -4.783 8.433 10.527 1.00 0.00 N ATOM 266 CA CYS A 21 -4.664 9.886 10.503 1.00 0.00 C ATOM 267 C CYS A 21 -5.994 10.534 10.129 1.00 0.00 C ATOM 268 O CYS A 21 -6.091 11.755 10.013 1.00 0.00 O ATOM 269 CB CYS A 21 -3.580 10.314 9.513 1.00 0.00 C ATOM 270 SG CYS A 21 -3.727 9.542 7.869 1.00 0.00 S ATOM 0 H CYS A 21 -4.748 7.992 9.608 1.00 0.00 H new ATOM 0 HA CYS A 21 -4.385 10.219 11.503 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -3.615 11.397 9.398 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -2.604 10.069 9.931 1.00 0.00 H new ATOM 0 HG CYS A 21 -4.070 8.295 8.004 1.00 0.00 H new ATOM 274 N HIS A 22 -7.018 9.706 9.945 1.00 0.00 N ATOM 275 CA HIS A 22 -8.343 10.198 9.585 1.00 0.00 C ATOM 276 C HIS A 22 -8.301 10.958 8.263 1.00 0.00 C ATOM 277 O HIS A 22 -9.124 11.839 8.015 1.00 0.00 O ATOM 278 CB HIS A 22 -8.891 11.103 10.690 1.00 0.00 C ATOM 279 CG HIS A 22 -8.036 11.133 11.919 1.00 0.00 C ATOM 280 ND1 HIS A 22 -7.591 12.302 12.497 1.00 0.00 N ATOM 281 CD2 HIS A 22 -7.546 10.127 12.681 1.00 0.00 C ATOM 282 CE1 HIS A 22 -6.862 12.015 13.562 1.00 0.00 C ATOM 283 NE2 HIS A 22 -6.820 10.701 13.695 1.00 0.00 N ATOM 0 H HIS A 22 -6.955 8.692 10.039 1.00 0.00 H new ATOM 0 HA HIS A 22 -9.003 9.338 9.468 1.00 0.00 H new ATOM 0 HB2 HIS A 22 -8.991 12.117 10.302 1.00 0.00 H new ATOM 0 HB3 HIS A 22 -9.891 10.766 10.962 1.00 0.00 H new ATOM 0 HD2 HIS A 22 -7.698 9.070 12.521 1.00 0.00 H new ATOM 0 HE1 HIS A 22 -6.383 12.732 14.212 1.00 0.00 H new ATOM 0 HE2 HIS A 22 -6.328 10.195 14.432 1.00 0.00 H new ATOM 290 N LEU A 23 -7.336 10.611 7.418 1.00 0.00 N ATOM 291 CA LEU A 23 -7.186 11.260 6.121 1.00 0.00 C ATOM 292 C LEU A 23 -8.311 10.853 5.173 1.00 0.00 C ATOM 293 O LEU A 23 -8.456 9.679 4.835 1.00 0.00 O ATOM 294 CB LEU A 23 -5.832 10.906 5.504 1.00 0.00 C ATOM 295 CG LEU A 23 -4.747 11.979 5.603 1.00 0.00 C ATOM 296 CD1 LEU A 23 -3.365 11.352 5.506 1.00 0.00 C ATOM 297 CD2 LEU A 23 -4.936 13.029 4.517 1.00 0.00 C ATOM 0 H LEU A 23 -6.646 9.884 7.608 1.00 0.00 H new ATOM 0 HA LEU A 23 -7.238 12.338 6.275 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.463 9.999 5.984 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -5.986 10.670 4.451 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.834 12.468 6.573 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -2.606 12.131 5.578 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -3.231 10.638 6.319 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -3.266 10.836 4.551 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.155 13.785 4.602 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -4.876 12.554 3.538 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -5.912 13.501 4.633 1.00 0.00 H new ATOM 308 N VAL A 24 -9.103 11.832 4.749 1.00 0.00 N ATOM 309 CA VAL A 24 -10.213 11.576 3.838 1.00 0.00 C ATOM 310 C VAL A 24 -9.709 11.203 2.449 1.00 0.00 C ATOM 311 O VAL A 24 -9.095 12.017 1.759 1.00 0.00 O ATOM 312 CB VAL A 24 -11.139 12.802 3.724 1.00 0.00 C ATOM 313 CG1 VAL A 24 -12.269 12.528 2.743 1.00 0.00 C ATOM 314 CG2 VAL A 24 -11.688 13.185 5.090 1.00 0.00 C ATOM 0 H VAL A 24 -8.997 12.809 5.021 1.00 0.00 H new ATOM 0 HA VAL A 24 -10.777 10.741 4.253 1.00 0.00 H new ATOM 0 HB VAL A 24 -10.556 13.641 3.345 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -12.913 13.405 2.675 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -11.852 12.307 1.760 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -12.853 11.675 3.089 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -12.340 14.053 4.990 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -12.256 12.350 5.501 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -10.862 13.427 5.759 1.00 0.00 H new ATOM 324 N LEU A 25 -9.973 9.966 2.044 1.00 0.00 N ATOM 325 CA LEU A 25 -9.546 9.482 0.734 1.00 0.00 C ATOM 326 C LEU A 25 -10.740 9.001 -0.083 1.00 0.00 C ATOM 327 O LEU A 25 -11.857 8.897 0.428 1.00 0.00 O ATOM 328 CB LEU A 25 -8.533 8.348 0.894 1.00 0.00 C ATOM 329 CG LEU A 25 -8.193 7.948 2.330 1.00 0.00 C ATOM 330 CD1 LEU A 25 -7.866 6.464 2.408 1.00 0.00 C ATOM 331 CD2 LEU A 25 -7.032 8.780 2.855 1.00 0.00 C ATOM 0 H LEU A 25 -10.480 9.280 2.603 1.00 0.00 H new ATOM 0 HA LEU A 25 -9.075 10.309 0.203 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -8.916 7.470 0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -7.611 8.638 0.391 1.00 0.00 H new ATOM 0 HG LEU A 25 -9.064 8.141 2.956 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -7.627 6.198 3.438 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -8.726 5.884 2.074 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -7.011 6.246 1.769 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -6.804 8.482 3.878 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -6.156 8.620 2.226 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -7.303 9.836 2.837 1.00 0.00 H new ATOM 342 N CYS A 26 -10.499 8.706 -1.356 1.00 0.00 N ATOM 343 CA CYS A 26 -11.553 8.233 -2.246 1.00 0.00 C ATOM 344 C CYS A 26 -11.423 6.734 -2.495 1.00 0.00 C ATOM 345 O CYS A 26 -12.422 6.025 -2.617 1.00 0.00 O ATOM 346 CB CYS A 26 -11.503 8.989 -3.575 1.00 0.00 C ATOM 347 SG CYS A 26 -12.538 10.487 -3.618 1.00 0.00 S ATOM 0 H CYS A 26 -9.582 8.786 -1.795 1.00 0.00 H new ATOM 0 HA CYS A 26 -12.513 8.421 -1.765 1.00 0.00 H new ATOM 0 HB2 CYS A 26 -10.470 9.268 -3.783 1.00 0.00 H new ATOM 0 HB3 CYS A 26 -11.819 8.319 -4.374 1.00 0.00 H new ATOM 0 HG CYS A 26 -12.427 11.058 -4.781 1.00 0.00 H new ATOM 351 N SER A 27 -10.184 6.257 -2.569 1.00 0.00 N ATOM 352 CA SER A 27 -9.923 4.842 -2.807 1.00 0.00 C ATOM 353 C SER A 27 -8.915 4.299 -1.800 1.00 0.00 C ATOM 354 O SER A 27 -7.731 4.129 -2.095 1.00 0.00 O ATOM 355 CB SER A 27 -9.403 4.630 -4.231 1.00 0.00 C ATOM 356 OG SER A 27 -8.074 5.106 -4.364 1.00 0.00 O ATOM 0 H SER A 27 -9.346 6.829 -2.468 1.00 0.00 H new ATOM 0 HA SER A 27 -10.861 4.299 -2.685 1.00 0.00 H new ATOM 0 HB2 SER A 27 -9.440 3.570 -4.481 1.00 0.00 H new ATOM 0 HB3 SER A 27 -10.051 5.147 -4.939 1.00 0.00 H new ATOM 0 HG SER A 27 -7.564 4.881 -3.558 1.00 0.00 H new ATOM 361 N PRO A 28 -9.392 4.019 -0.578 1.00 0.00 N ATOM 362 CA PRO A 28 -8.551 3.490 0.499 1.00 0.00 C ATOM 363 C PRO A 28 -8.107 2.055 0.237 1.00 0.00 C ATOM 364 O PRO A 28 -8.193 1.563 -0.888 1.00 0.00 O ATOM 365 CB PRO A 28 -9.464 3.552 1.726 1.00 0.00 C ATOM 366 CG PRO A 28 -10.846 3.492 1.172 1.00 0.00 C ATOM 367 CD PRO A 28 -10.791 4.197 -0.155 1.00 0.00 C ATOM 0 HA PRO A 28 -7.627 4.057 0.610 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -9.273 2.721 2.404 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -9.304 4.469 2.293 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -11.174 2.459 1.052 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -11.556 3.976 1.842 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -11.486 3.760 -0.872 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -11.051 5.251 -0.061 1.00 0.00 H new ATOM 372 N LYS A 29 -7.632 1.387 1.284 1.00 0.00 N ATOM 373 CA LYS A 29 -7.176 0.008 1.167 1.00 0.00 C ATOM 374 C LYS A 29 -7.933 -0.899 2.133 1.00 0.00 C ATOM 375 O LYS A 29 -7.328 -1.616 2.929 1.00 0.00 O ATOM 376 CB LYS A 29 -5.673 -0.080 1.443 1.00 0.00 C ATOM 377 CG LYS A 29 -4.862 0.994 0.737 1.00 0.00 C ATOM 378 CD LYS A 29 -5.008 0.900 -0.773 1.00 0.00 C ATOM 379 CE LYS A 29 -4.486 2.152 -1.461 1.00 0.00 C ATOM 380 NZ LYS A 29 -4.216 1.918 -2.907 1.00 0.00 N ATOM 0 H LYS A 29 -7.553 1.779 2.222 1.00 0.00 H new ATOM 0 HA LYS A 29 -7.373 -0.328 0.149 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -5.504 -0.004 2.517 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -5.311 -1.060 1.132 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -5.188 1.978 1.074 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -3.811 0.895 1.009 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -4.465 0.029 -1.139 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -6.057 0.752 -1.030 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -5.214 2.956 -1.353 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.571 2.482 -0.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -3.862 2.795 -3.340 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -3.503 1.168 -3.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -5.095 1.628 -3.382 1.00 0.00 H new ATOM 390 N GLN A 30 -9.260 -0.862 2.055 1.00 0.00 N ATOM 391 CA GLN A 30 -10.098 -1.682 2.921 1.00 0.00 C ATOM 392 C GLN A 30 -9.435 -3.024 3.211 1.00 0.00 C ATOM 393 O GLN A 30 -9.339 -3.883 2.333 1.00 0.00 O ATOM 394 CB GLN A 30 -11.468 -1.904 2.277 1.00 0.00 C ATOM 395 CG GLN A 30 -12.618 -1.890 3.272 1.00 0.00 C ATOM 396 CD GLN A 30 -13.968 -2.070 2.608 1.00 0.00 C ATOM 397 OE1 GLN A 30 -14.068 -2.653 1.527 1.00 0.00 O ATOM 398 NE2 GLN A 30 -15.016 -1.571 3.251 1.00 0.00 N ATOM 0 H GLN A 30 -9.777 -0.273 1.402 1.00 0.00 H new ATOM 0 HA GLN A 30 -10.229 -1.153 3.865 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -11.637 -1.131 1.528 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -11.463 -2.860 1.753 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -12.469 -2.684 4.004 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -12.609 -0.947 3.818 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -14.887 -1.096 4.144 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -15.950 -1.663 2.852 1.00 0.00 H new ATOM 405 N THR A 31 -8.977 -3.198 4.446 1.00 0.00 N ATOM 406 CA THR A 31 -8.321 -4.435 4.852 1.00 0.00 C ATOM 407 C THR A 31 -9.285 -5.614 4.791 1.00 0.00 C ATOM 408 O THR A 31 -10.352 -5.524 4.186 1.00 0.00 O ATOM 409 CB THR A 31 -7.750 -4.327 6.278 1.00 0.00 C ATOM 410 OG1 THR A 31 -8.814 -4.336 7.234 1.00 0.00 O ATOM 411 CG2 THR A 31 -6.929 -3.055 6.437 1.00 0.00 C ATOM 0 H THR A 31 -9.048 -2.497 5.184 1.00 0.00 H new ATOM 0 HA THR A 31 -7.502 -4.602 4.153 1.00 0.00 H new ATOM 0 HB THR A 31 -7.100 -5.185 6.451 1.00 0.00 H new ATOM 0 HG1 THR A 31 -8.577 -4.924 7.981 1.00 0.00 H new ATOM 0 HG21 THR A 31 -6.536 -3.000 7.452 1.00 0.00 H new ATOM 0 HG22 THR A 31 -6.102 -3.065 5.727 1.00 0.00 H new ATOM 0 HG23 THR A 31 -7.561 -2.188 6.245 1.00 0.00 H new ATOM 419 N GLU A 32 -8.901 -6.720 5.422 1.00 0.00 N ATOM 420 CA GLU A 32 -9.733 -7.917 5.438 1.00 0.00 C ATOM 421 C GLU A 32 -10.654 -7.922 6.655 1.00 0.00 C ATOM 422 O GLU A 32 -11.253 -8.944 6.990 1.00 0.00 O ATOM 423 CB GLU A 32 -8.859 -9.172 5.442 1.00 0.00 C ATOM 424 CG GLU A 32 -9.559 -10.402 4.890 1.00 0.00 C ATOM 425 CD GLU A 32 -9.748 -11.484 5.935 1.00 0.00 C ATOM 426 OE1 GLU A 32 -8.731 -11.992 6.455 1.00 0.00 O ATOM 427 OE2 GLU A 32 -10.912 -11.825 6.234 1.00 0.00 O ATOM 0 H GLU A 32 -8.020 -6.811 5.928 1.00 0.00 H new ATOM 0 HA GLU A 32 -10.348 -7.914 4.538 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -7.961 -8.981 4.855 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -8.535 -9.376 6.463 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -10.532 -10.114 4.491 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.979 -10.803 4.058 1.00 0.00 H new ATOM 432 N CYS A 33 -10.762 -6.773 7.314 1.00 0.00 N ATOM 433 CA CYS A 33 -11.609 -6.643 8.493 1.00 0.00 C ATOM 434 C CYS A 33 -12.744 -5.654 8.242 1.00 0.00 C ATOM 435 O CYS A 33 -13.831 -5.786 8.803 1.00 0.00 O ATOM 436 CB CYS A 33 -10.778 -6.189 9.695 1.00 0.00 C ATOM 437 SG CYS A 33 -10.315 -4.427 9.656 1.00 0.00 S ATOM 0 H CYS A 33 -10.273 -5.918 7.051 1.00 0.00 H new ATOM 0 HA CYS A 33 -12.043 -7.619 8.707 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -11.341 -6.386 10.607 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -9.871 -6.791 9.744 1.00 0.00 H new ATOM 0 HG CYS A 33 -9.910 -4.111 8.462 1.00 0.00 H new ATOM 441 N GLY A 34 -12.482 -4.664 7.395 1.00 0.00 N ATOM 442 CA GLY A 34 -13.491 -3.668 7.084 1.00 0.00 C ATOM 443 C GLY A 34 -12.939 -2.257 7.109 1.00 0.00 C ATOM 444 O GLY A 34 -13.175 -1.474 6.188 1.00 0.00 O ATOM 0 H GLY A 34 -11.590 -4.534 6.919 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -13.909 -3.874 6.099 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -14.309 -3.748 7.800 1.00 0.00 H new ATOM 448 N HIS A 35 -12.203 -1.929 8.167 1.00 0.00 N ATOM 449 CA HIS A 35 -11.617 -0.602 8.308 1.00 0.00 C ATOM 450 C HIS A 35 -10.835 -0.215 7.056 1.00 0.00 C ATOM 451 O HIS A 35 -10.682 -1.020 6.137 1.00 0.00 O ATOM 452 CB HIS A 35 -10.700 -0.554 9.532 1.00 0.00 C ATOM 453 CG HIS A 35 -11.422 -0.741 10.829 1.00 0.00 C ATOM 454 ND1 HIS A 35 -11.391 -1.919 11.545 1.00 0.00 N ATOM 455 CD2 HIS A 35 -12.198 0.110 11.542 1.00 0.00 C ATOM 456 CE1 HIS A 35 -12.118 -1.785 12.641 1.00 0.00 C ATOM 457 NE2 HIS A 35 -12.618 -0.564 12.662 1.00 0.00 N ATOM 0 H HIS A 35 -11.999 -2.564 8.938 1.00 0.00 H new ATOM 0 HA HIS A 35 -12.428 0.113 8.442 1.00 0.00 H new ATOM 0 HB2 HIS A 35 -9.938 -1.327 9.435 1.00 0.00 H new ATOM 0 HB3 HIS A 35 -10.181 0.404 9.549 1.00 0.00 H new ATOM 0 HD1 HIS A 35 -10.886 -2.762 11.272 1.00 0.00 H new ATOM 0 HD2 HIS A 35 -12.441 1.129 11.279 1.00 0.00 H new ATOM 0 HE1 HIS A 35 -12.276 -2.545 13.391 1.00 0.00 H new ATOM 464 N ARG A 36 -10.343 1.019 7.028 1.00 0.00 N ATOM 465 CA ARG A 36 -9.580 1.510 5.887 1.00 0.00 C ATOM 466 C ARG A 36 -8.398 2.358 6.350 1.00 0.00 C ATOM 467 O ARG A 36 -8.382 2.860 7.475 1.00 0.00 O ATOM 468 CB ARG A 36 -10.479 2.331 4.960 1.00 0.00 C ATOM 469 CG ARG A 36 -11.450 1.489 4.152 1.00 0.00 C ATOM 470 CD ARG A 36 -12.781 2.200 3.962 1.00 0.00 C ATOM 471 NE ARG A 36 -13.905 1.387 4.415 1.00 0.00 N ATOM 472 CZ ARG A 36 -14.285 1.300 5.685 1.00 0.00 C ATOM 473 NH1 ARG A 36 -13.634 1.974 6.623 1.00 0.00 N ATOM 474 NH2 ARG A 36 -15.320 0.539 6.020 1.00 0.00 N ATOM 0 H ARG A 36 -10.459 1.697 7.782 1.00 0.00 H new ATOM 0 HA ARG A 36 -9.196 0.649 5.340 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -11.043 3.049 5.556 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -9.854 2.906 4.277 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -11.015 1.264 3.178 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -11.614 0.537 4.656 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -12.770 3.142 4.511 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -12.913 2.446 2.908 1.00 0.00 H new ATOM 0 HE ARG A 36 -14.428 0.856 3.718 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -12.839 2.561 6.370 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -13.928 1.905 7.597 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -15.825 0.020 5.302 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -15.610 0.473 6.996 1.00 0.00 H new ATOM 485 N PHE A 37 -7.410 2.514 5.475 1.00 0.00 N ATOM 486 CA PHE A 37 -6.224 3.300 5.794 1.00 0.00 C ATOM 487 C PHE A 37 -5.695 4.015 4.554 1.00 0.00 C ATOM 488 O PHE A 37 -6.154 3.768 3.438 1.00 0.00 O ATOM 489 CB PHE A 37 -5.134 2.401 6.382 1.00 0.00 C ATOM 490 CG PHE A 37 -5.380 2.018 7.813 1.00 0.00 C ATOM 491 CD1 PHE A 37 -6.208 0.953 8.127 1.00 0.00 C ATOM 492 CD2 PHE A 37 -4.783 2.726 8.845 1.00 0.00 C ATOM 493 CE1 PHE A 37 -6.435 0.598 9.443 1.00 0.00 C ATOM 494 CE2 PHE A 37 -5.008 2.376 10.163 1.00 0.00 C ATOM 495 CZ PHE A 37 -5.836 1.311 10.462 1.00 0.00 C ATOM 0 H PHE A 37 -7.407 2.107 4.540 1.00 0.00 H new ATOM 0 HA PHE A 37 -6.504 4.051 6.533 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -5.057 1.496 5.780 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -4.174 2.913 6.311 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -6.682 0.393 7.334 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -4.135 3.560 8.617 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -7.080 -0.237 9.674 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -4.537 2.934 10.958 1.00 0.00 H new ATOM 0 HZ PHE A 37 -6.014 1.037 11.491 1.00 0.00 H new ATOM 504 N CYS A 38 -4.727 4.901 4.757 1.00 0.00 N ATOM 505 CA CYS A 38 -4.135 5.653 3.657 1.00 0.00 C ATOM 506 C CYS A 38 -2.846 4.993 3.178 1.00 0.00 C ATOM 507 O CYS A 38 -2.287 4.133 3.859 1.00 0.00 O ATOM 508 CB CYS A 38 -3.853 7.094 4.090 1.00 0.00 C ATOM 509 SG CYS A 38 -2.512 7.253 5.312 1.00 0.00 S ATOM 0 H CYS A 38 -4.335 5.116 5.674 1.00 0.00 H new ATOM 0 HA CYS A 38 -4.847 5.661 2.831 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -3.599 7.684 3.209 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.764 7.521 4.508 1.00 0.00 H new ATOM 0 HG CYS A 38 -2.873 8.080 6.248 1.00 0.00 H new ATOM 513 N GLU A 39 -2.379 5.401 2.002 1.00 0.00 N ATOM 514 CA GLU A 39 -1.156 4.848 1.432 1.00 0.00 C ATOM 515 C GLU A 39 -0.067 4.727 2.494 1.00 0.00 C ATOM 516 O GLU A 39 0.392 3.628 2.804 1.00 0.00 O ATOM 517 CB GLU A 39 -0.663 5.725 0.278 1.00 0.00 C ATOM 518 CG GLU A 39 -1.322 5.405 -1.054 1.00 0.00 C ATOM 519 CD GLU A 39 -0.718 6.185 -2.205 1.00 0.00 C ATOM 520 OE1 GLU A 39 -0.379 7.370 -2.005 1.00 0.00 O ATOM 521 OE2 GLU A 39 -0.584 5.610 -3.306 1.00 0.00 O ATOM 0 H GLU A 39 -2.829 6.112 1.426 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.381 3.852 1.052 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.847 6.771 0.523 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.416 5.607 0.178 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.228 4.338 -1.254 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -2.388 5.625 -0.990 1.00 0.00 H new ATOM 526 N SER A 40 0.341 5.865 3.047 1.00 0.00 N ATOM 527 CA SER A 40 1.379 5.888 4.071 1.00 0.00 C ATOM 528 C SER A 40 1.093 4.855 5.157 1.00 0.00 C ATOM 529 O SER A 40 1.613 3.739 5.121 1.00 0.00 O ATOM 530 CB SER A 40 1.481 7.282 4.692 1.00 0.00 C ATOM 531 OG SER A 40 2.083 7.226 5.974 1.00 0.00 O ATOM 0 H SER A 40 -0.031 6.783 2.803 1.00 0.00 H new ATOM 0 HA SER A 40 2.328 5.639 3.597 1.00 0.00 H new ATOM 0 HB2 SER A 40 2.065 7.932 4.041 1.00 0.00 H new ATOM 0 HB3 SER A 40 0.487 7.721 4.772 1.00 0.00 H new ATOM 0 HG SER A 40 2.138 8.130 6.349 1.00 0.00 H new ATOM 536 N CYS A 41 0.264 5.235 6.122 1.00 0.00 N ATOM 537 CA CYS A 41 -0.092 4.343 7.220 1.00 0.00 C ATOM 538 C CYS A 41 -0.160 2.895 6.744 1.00 0.00 C ATOM 539 O CYS A 41 0.400 1.998 7.373 1.00 0.00 O ATOM 540 CB CYS A 41 -1.436 4.757 7.825 1.00 0.00 C ATOM 541 SG CYS A 41 -1.428 6.408 8.595 1.00 0.00 S ATOM 0 H CYS A 41 -0.175 6.155 6.167 1.00 0.00 H new ATOM 0 HA CYS A 41 0.682 4.420 7.984 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -2.196 4.736 7.044 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -1.728 4.020 8.573 1.00 0.00 H new ATOM 0 HG CYS A 41 -1.782 7.298 7.716 1.00 0.00 H new ATOM 545 N MET A 42 -0.851 2.675 5.630 1.00 0.00 N ATOM 546 CA MET A 42 -0.990 1.336 5.070 1.00 0.00 C ATOM 547 C MET A 42 0.374 0.679 4.886 1.00 0.00 C ATOM 548 O MET A 42 0.641 -0.385 5.443 1.00 0.00 O ATOM 549 CB MET A 42 -1.727 1.396 3.730 1.00 0.00 C ATOM 550 CG MET A 42 -1.736 0.072 2.983 1.00 0.00 C ATOM 551 SD MET A 42 -3.215 -0.903 3.316 1.00 0.00 S ATOM 552 CE MET A 42 -3.385 -0.667 5.084 1.00 0.00 C ATOM 0 H MET A 42 -1.323 3.406 5.098 1.00 0.00 H new ATOM 0 HA MET A 42 -1.570 0.734 5.769 1.00 0.00 H new ATOM 0 HB2 MET A 42 -2.755 1.713 3.904 1.00 0.00 H new ATOM 0 HB3 MET A 42 -1.261 2.155 3.102 1.00 0.00 H new ATOM 0 HG2 MET A 42 -1.665 0.263 1.912 1.00 0.00 H new ATOM 0 HG3 MET A 42 -0.855 -0.505 3.263 1.00 0.00 H new ATOM 0 HE1 MET A 42 -4.289 -1.167 5.433 1.00 0.00 H new ATOM 0 HE2 MET A 42 -2.518 -1.089 5.592 1.00 0.00 H new ATOM 0 HE3 MET A 42 -3.452 0.398 5.304 1.00 0.00 H new ATOM 560 N ALA A 43 1.233 1.320 4.100 1.00 0.00 N ATOM 561 CA ALA A 43 2.570 0.798 3.844 1.00 0.00 C ATOM 562 C ALA A 43 3.362 0.661 5.139 1.00 0.00 C ATOM 563 O ALA A 43 4.325 -0.103 5.212 1.00 0.00 O ATOM 564 CB ALA A 43 3.309 1.696 2.863 1.00 0.00 C ATOM 0 H ALA A 43 1.027 2.201 3.630 1.00 0.00 H new ATOM 0 HA ALA A 43 2.468 -0.194 3.404 1.00 0.00 H new ATOM 0 HB1 ALA A 43 4.306 1.294 2.681 1.00 0.00 H new ATOM 0 HB2 ALA A 43 2.758 1.739 1.923 1.00 0.00 H new ATOM 0 HB3 ALA A 43 3.393 2.699 3.281 1.00 0.00 H new ATOM 570 N ALA A 44 2.952 1.406 6.160 1.00 0.00 N ATOM 571 CA ALA A 44 3.624 1.367 7.453 1.00 0.00 C ATOM 572 C ALA A 44 3.260 0.101 8.222 1.00 0.00 C ATOM 573 O ALA A 44 4.135 -0.608 8.722 1.00 0.00 O ATOM 574 CB ALA A 44 3.272 2.601 8.269 1.00 0.00 C ATOM 0 H ALA A 44 2.157 2.044 6.117 1.00 0.00 H new ATOM 0 HA ALA A 44 4.699 1.357 7.275 1.00 0.00 H new ATOM 0 HB1 ALA A 44 3.781 2.558 9.232 1.00 0.00 H new ATOM 0 HB2 ALA A 44 3.588 3.495 7.731 1.00 0.00 H new ATOM 0 HB3 ALA A 44 2.194 2.636 8.430 1.00 0.00 H new ATOM 580 N LEU A 45 1.964 -0.177 8.315 1.00 0.00 N ATOM 581 CA LEU A 45 1.484 -1.358 9.024 1.00 0.00 C ATOM 582 C LEU A 45 2.026 -2.634 8.388 1.00 0.00 C ATOM 583 O LEU A 45 2.470 -3.548 9.085 1.00 0.00 O ATOM 584 CB LEU A 45 -0.045 -1.387 9.030 1.00 0.00 C ATOM 585 CG LEU A 45 -0.736 -0.207 9.716 1.00 0.00 C ATOM 586 CD1 LEU A 45 -2.243 -0.286 9.524 1.00 0.00 C ATOM 587 CD2 LEU A 45 -0.387 -0.172 11.197 1.00 0.00 C ATOM 0 H LEU A 45 1.227 0.399 7.908 1.00 0.00 H new ATOM 0 HA LEU A 45 1.844 -1.306 10.051 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.392 -1.435 7.998 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -0.369 -2.306 9.518 1.00 0.00 H new ATOM 0 HG LEU A 45 -0.379 0.715 9.257 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -2.718 0.561 10.019 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.476 -0.262 8.459 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.617 -1.214 9.956 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -0.887 0.674 11.669 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -0.715 -1.098 11.670 1.00 0.00 H new ATOM 0 HD23 LEU A 45 0.692 -0.067 11.314 1.00 0.00 H new ATOM 598 N LEU A 46 1.988 -2.688 7.061 1.00 0.00 N ATOM 599 CA LEU A 46 2.478 -3.852 6.329 1.00 0.00 C ATOM 600 C LEU A 46 3.914 -4.178 6.724 1.00 0.00 C ATOM 601 O LEU A 46 4.332 -5.336 6.683 1.00 0.00 O ATOM 602 CB LEU A 46 2.394 -3.603 4.823 1.00 0.00 C ATOM 603 CG LEU A 46 0.998 -3.325 4.264 1.00 0.00 C ATOM 604 CD1 LEU A 46 1.086 -2.823 2.832 1.00 0.00 C ATOM 605 CD2 LEU A 46 0.134 -4.575 4.341 1.00 0.00 C ATOM 0 H LEU A 46 1.624 -1.941 6.470 1.00 0.00 H new ATOM 0 HA LEU A 46 1.849 -4.704 6.585 1.00 0.00 H new ATOM 0 HB2 LEU A 46 3.036 -2.757 4.579 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.803 -4.472 4.308 1.00 0.00 H new ATOM 0 HG LEU A 46 0.533 -2.548 4.871 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.083 -2.631 2.452 1.00 0.00 H new ATOM 0 HD12 LEU A 46 1.667 -1.901 2.805 1.00 0.00 H new ATOM 0 HD13 LEU A 46 1.571 -3.576 2.211 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -0.856 -4.359 3.939 1.00 0.00 H new ATOM 0 HD22 LEU A 46 0.596 -5.373 3.759 1.00 0.00 H new ATOM 0 HD23 LEU A 46 0.042 -4.890 5.380 1.00 0.00 H new ATOM 616 N SER A 47 4.666 -3.151 7.106 1.00 0.00 N ATOM 617 CA SER A 47 6.056 -3.328 7.506 1.00 0.00 C ATOM 618 C SER A 47 6.166 -3.531 9.015 1.00 0.00 C ATOM 619 O SER A 47 7.146 -3.123 9.638 1.00 0.00 O ATOM 620 CB SER A 47 6.890 -2.117 7.082 1.00 0.00 C ATOM 621 OG SER A 47 8.071 -2.521 6.412 1.00 0.00 O ATOM 0 H SER A 47 4.335 -2.187 7.147 1.00 0.00 H new ATOM 0 HA SER A 47 6.440 -4.218 7.007 1.00 0.00 H new ATOM 0 HB2 SER A 47 6.299 -1.475 6.429 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.150 -1.525 7.960 1.00 0.00 H new ATOM 0 HG SER A 47 8.586 -1.729 6.150 1.00 0.00 H new ATOM 626 N SER A 48 5.152 -4.165 9.595 1.00 0.00 N ATOM 627 CA SER A 48 5.131 -4.420 11.030 1.00 0.00 C ATOM 628 C SER A 48 5.290 -5.910 11.320 1.00 0.00 C ATOM 629 O SER A 48 4.783 -6.417 12.321 1.00 0.00 O ATOM 630 CB SER A 48 3.827 -3.907 11.643 1.00 0.00 C ATOM 631 OG SER A 48 3.793 -4.138 13.040 1.00 0.00 O ATOM 0 H SER A 48 4.334 -4.511 9.093 1.00 0.00 H new ATOM 0 HA SER A 48 5.969 -3.888 11.480 1.00 0.00 H new ATOM 0 HB2 SER A 48 3.724 -2.840 11.445 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.980 -4.402 11.169 1.00 0.00 H new ATOM 0 HG SER A 48 4.016 -5.075 13.222 1.00 0.00 H new ATOM 636 N SER A 49 5.997 -6.606 10.436 1.00 0.00 N ATOM 637 CA SER A 49 6.221 -8.038 10.593 1.00 0.00 C ATOM 638 C SER A 49 4.964 -8.730 11.114 1.00 0.00 C ATOM 639 O SER A 49 5.038 -9.784 11.746 1.00 0.00 O ATOM 640 CB SER A 49 7.389 -8.293 11.548 1.00 0.00 C ATOM 641 OG SER A 49 8.613 -8.389 10.842 1.00 0.00 O ATOM 0 H SER A 49 6.425 -6.201 9.603 1.00 0.00 H new ATOM 0 HA SER A 49 6.465 -8.451 9.614 1.00 0.00 H new ATOM 0 HB2 SER A 49 7.449 -7.486 12.278 1.00 0.00 H new ATOM 0 HB3 SER A 49 7.213 -9.214 12.105 1.00 0.00 H new ATOM 0 HG SER A 49 9.344 -8.550 11.475 1.00 0.00 H new ATOM 646 N SER A 50 3.810 -8.130 10.842 1.00 0.00 N ATOM 647 CA SER A 50 2.536 -8.684 11.285 1.00 0.00 C ATOM 648 C SER A 50 1.445 -7.618 11.269 1.00 0.00 C ATOM 649 O SER A 50 0.902 -7.234 12.306 1.00 0.00 O ATOM 650 CB SER A 50 2.673 -9.270 12.692 1.00 0.00 C ATOM 651 OG SER A 50 3.649 -8.569 13.444 1.00 0.00 O ATOM 0 H SER A 50 3.731 -7.259 10.316 1.00 0.00 H new ATOM 0 HA SER A 50 2.253 -9.478 10.594 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.712 -9.223 13.204 1.00 0.00 H new ATOM 0 HB3 SER A 50 2.948 -10.323 12.626 1.00 0.00 H new ATOM 0 HG SER A 50 3.726 -7.652 13.106 1.00 0.00 H new ATOM 656 N PRO A 51 1.114 -7.129 10.065 1.00 0.00 N ATOM 657 CA PRO A 51 0.084 -6.102 9.885 1.00 0.00 C ATOM 658 C PRO A 51 -1.318 -6.631 10.164 1.00 0.00 C ATOM 659 O PRO A 51 -1.763 -7.598 9.545 1.00 0.00 O ATOM 660 CB PRO A 51 0.226 -5.714 8.410 1.00 0.00 C ATOM 661 CG PRO A 51 0.820 -6.913 7.759 1.00 0.00 C ATOM 662 CD PRO A 51 1.718 -7.541 8.788 1.00 0.00 C ATOM 0 HA PRO A 51 0.214 -5.268 10.575 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -0.740 -5.463 7.972 1.00 0.00 H new ATOM 0 HB3 PRO A 51 0.867 -4.840 8.290 1.00 0.00 H new ATOM 0 HG2 PRO A 51 0.044 -7.609 7.441 1.00 0.00 H new ATOM 0 HG3 PRO A 51 1.383 -6.635 6.868 1.00 0.00 H new ATOM 0 HD2 PRO A 51 1.746 -8.626 8.688 1.00 0.00 H new ATOM 0 HD3 PRO A 51 2.744 -7.186 8.696 1.00 0.00 H new ATOM 667 N LYS A 52 -2.012 -5.990 11.098 1.00 0.00 N ATOM 668 CA LYS A 52 -3.366 -6.395 11.459 1.00 0.00 C ATOM 669 C LYS A 52 -4.374 -5.311 11.090 1.00 0.00 C ATOM 670 O LYS A 52 -5.165 -5.475 10.163 1.00 0.00 O ATOM 671 CB LYS A 52 -3.448 -6.695 12.958 1.00 0.00 C ATOM 672 CG LYS A 52 -2.239 -7.439 13.496 1.00 0.00 C ATOM 673 CD LYS A 52 -2.006 -7.135 14.967 1.00 0.00 C ATOM 674 CE LYS A 52 -0.576 -7.447 15.381 1.00 0.00 C ATOM 675 NZ LYS A 52 -0.302 -7.031 16.784 1.00 0.00 N ATOM 0 H LYS A 52 -1.659 -5.187 11.619 1.00 0.00 H new ATOM 0 HA LYS A 52 -3.610 -7.299 10.900 1.00 0.00 H new ATOM 0 HB2 LYS A 52 -3.559 -5.757 13.502 1.00 0.00 H new ATOM 0 HB3 LYS A 52 -4.344 -7.285 13.154 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -2.382 -8.511 13.363 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.355 -7.162 12.922 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -2.221 -6.084 15.161 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -2.697 -7.719 15.574 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.393 -8.516 15.277 1.00 0.00 H new ATOM 0 HE3 LYS A 52 0.116 -6.938 14.710 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.683 -7.261 17.028 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 -0.452 -6.006 16.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 -0.945 -7.535 17.427 1.00 0.00 H new ATOM 685 N CYS A 53 -4.338 -4.203 11.823 1.00 0.00 N ATOM 686 CA CYS A 53 -5.248 -3.091 11.573 1.00 0.00 C ATOM 687 C CYS A 53 -5.369 -2.199 12.806 1.00 0.00 C ATOM 688 O CYS A 53 -6.126 -2.498 13.730 1.00 0.00 O ATOM 689 CB CYS A 53 -6.628 -3.615 11.171 1.00 0.00 C ATOM 690 SG CYS A 53 -7.984 -2.434 11.462 1.00 0.00 S ATOM 0 H CYS A 53 -3.689 -4.051 12.595 1.00 0.00 H new ATOM 0 HA CYS A 53 -4.840 -2.497 10.755 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -6.611 -3.879 10.114 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -6.833 -4.531 11.725 1.00 0.00 H new ATOM 0 HG CYS A 53 -9.029 -2.796 10.778 1.00 0.00 H new ATOM 694 N THR A 54 -4.617 -1.104 12.813 1.00 0.00 N ATOM 695 CA THR A 54 -4.639 -0.169 13.931 1.00 0.00 C ATOM 696 C THR A 54 -6.022 -0.105 14.567 1.00 0.00 C ATOM 697 O THR A 54 -6.154 -0.096 15.791 1.00 0.00 O ATOM 698 CB THR A 54 -4.225 1.248 13.487 1.00 0.00 C ATOM 699 OG1 THR A 54 -3.016 1.635 14.152 1.00 0.00 O ATOM 700 CG2 THR A 54 -5.323 2.254 13.796 1.00 0.00 C ATOM 0 H THR A 54 -3.985 -0.842 12.057 1.00 0.00 H new ATOM 0 HA THR A 54 -3.921 -0.537 14.664 1.00 0.00 H new ATOM 0 HB THR A 54 -4.059 1.234 12.410 1.00 0.00 H new ATOM 0 HG1 THR A 54 -3.227 2.260 14.877 1.00 0.00 H new ATOM 0 HG21 THR A 54 -5.008 3.247 13.474 1.00 0.00 H new ATOM 0 HG22 THR A 54 -6.234 1.973 13.267 1.00 0.00 H new ATOM 0 HG23 THR A 54 -5.515 2.265 14.869 1.00 0.00 H new ATOM 708 N ALA A 55 -7.054 -0.062 13.729 1.00 0.00 N ATOM 709 CA ALA A 55 -8.427 -0.002 14.211 1.00 0.00 C ATOM 710 C ALA A 55 -8.699 -1.099 15.234 1.00 0.00 C ATOM 711 O ALA A 55 -8.721 -0.847 16.439 1.00 0.00 O ATOM 712 CB ALA A 55 -9.401 -0.112 13.045 1.00 0.00 C ATOM 0 H ALA A 55 -6.964 -0.068 12.713 1.00 0.00 H new ATOM 0 HA ALA A 55 -8.571 0.960 14.702 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -10.424 -0.066 13.420 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -9.231 0.711 12.350 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -9.246 -1.060 12.530 1.00 0.00 H new ATOM 718 N CYS A 56 -8.905 -2.318 14.747 1.00 0.00 N ATOM 719 CA CYS A 56 -9.176 -3.455 15.620 1.00 0.00 C ATOM 720 C CYS A 56 -8.022 -4.452 15.589 1.00 0.00 C ATOM 721 O CYS A 56 -7.778 -5.164 16.562 1.00 0.00 O ATOM 722 CB CYS A 56 -10.474 -4.148 15.200 1.00 0.00 C ATOM 723 SG CYS A 56 -10.467 -4.766 13.486 1.00 0.00 S ATOM 0 H CYS A 56 -8.890 -2.544 13.753 1.00 0.00 H new ATOM 0 HA CYS A 56 -9.283 -3.082 16.639 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -10.662 -4.983 15.875 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -11.302 -3.449 15.319 1.00 0.00 H new ATOM 0 HG CYS A 56 -9.619 -4.078 12.780 1.00 0.00 H new ATOM 727 N GLN A 57 -7.315 -4.496 14.464 1.00 0.00 N ATOM 728 CA GLN A 57 -6.186 -5.406 14.306 1.00 0.00 C ATOM 729 C GLN A 57 -6.660 -6.790 13.875 1.00 0.00 C ATOM 730 O GLN A 57 -7.086 -7.595 14.703 1.00 0.00 O ATOM 731 CB GLN A 57 -5.399 -5.506 15.613 1.00 0.00 C ATOM 732 CG GLN A 57 -5.303 -4.191 16.369 1.00 0.00 C ATOM 733 CD GLN A 57 -3.871 -3.765 16.621 1.00 0.00 C ATOM 734 OE1 GLN A 57 -3.288 -4.084 17.658 1.00 0.00 O ATOM 735 NE2 GLN A 57 -3.293 -3.039 15.669 1.00 0.00 N ATOM 0 H GLN A 57 -7.504 -3.913 13.649 1.00 0.00 H new ATOM 0 HA GLN A 57 -5.535 -5.007 13.528 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -5.870 -6.251 16.255 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -4.393 -5.864 15.395 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -5.815 -3.413 15.803 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -5.823 -4.286 17.322 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -3.813 -2.797 14.825 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -2.330 -2.724 15.782 1.00 0.00 H new ATOM 742 N GLU A 58 -6.581 -7.060 12.576 1.00 0.00 N ATOM 743 CA GLU A 58 -7.002 -8.348 12.037 1.00 0.00 C ATOM 744 C GLU A 58 -5.978 -8.880 11.038 1.00 0.00 C ATOM 745 O GLU A 58 -5.391 -9.942 11.243 1.00 0.00 O ATOM 746 CB GLU A 58 -8.370 -8.219 11.363 1.00 0.00 C ATOM 747 CG GLU A 58 -9.479 -8.958 12.093 1.00 0.00 C ATOM 748 CD GLU A 58 -9.714 -10.351 11.542 1.00 0.00 C ATOM 749 OE1 GLU A 58 -9.304 -10.609 10.389 1.00 0.00 O ATOM 750 OE2 GLU A 58 -10.306 -11.182 12.260 1.00 0.00 O ATOM 0 H GLU A 58 -6.230 -6.405 11.878 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.077 -9.054 12.864 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.633 -7.164 11.293 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.301 -8.599 10.344 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.228 -9.028 13.151 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.402 -8.383 12.021 1.00 0.00 H new ATOM 755 N SER A 59 -5.772 -8.135 9.957 1.00 0.00 N ATOM 756 CA SER A 59 -4.823 -8.534 8.924 1.00 0.00 C ATOM 757 C SER A 59 -4.840 -7.546 7.761 1.00 0.00 C ATOM 758 O SER A 59 -5.897 -7.237 7.210 1.00 0.00 O ATOM 759 CB SER A 59 -5.149 -9.940 8.418 1.00 0.00 C ATOM 760 OG SER A 59 -4.099 -10.845 8.714 1.00 0.00 O ATOM 0 H SER A 59 -6.249 -7.252 9.774 1.00 0.00 H new ATOM 0 HA SER A 59 -3.825 -8.536 9.363 1.00 0.00 H new ATOM 0 HB2 SER A 59 -6.074 -10.289 8.876 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.317 -9.913 7.341 1.00 0.00 H new ATOM 0 HG SER A 59 -4.036 -10.967 9.684 1.00 0.00 H new ATOM 765 N ILE A 60 -3.661 -7.055 7.393 1.00 0.00 N ATOM 766 CA ILE A 60 -3.539 -6.103 6.295 1.00 0.00 C ATOM 767 C ILE A 60 -2.528 -6.585 5.261 1.00 0.00 C ATOM 768 O ILE A 60 -1.319 -6.540 5.492 1.00 0.00 O ATOM 769 CB ILE A 60 -3.118 -4.711 6.801 1.00 0.00 C ATOM 770 CG1 ILE A 60 -3.540 -4.525 8.260 1.00 0.00 C ATOM 771 CG2 ILE A 60 -3.723 -3.624 5.925 1.00 0.00 C ATOM 772 CD1 ILE A 60 -2.945 -3.295 8.909 1.00 0.00 C ATOM 0 H ILE A 60 -2.777 -7.300 7.839 1.00 0.00 H new ATOM 0 HA ILE A 60 -4.522 -6.028 5.830 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.032 -4.633 6.745 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -4.627 -4.463 8.310 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.245 -5.406 8.830 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -3.416 -2.646 6.295 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -3.377 -3.749 4.899 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -4.810 -3.698 5.952 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.287 -3.227 9.942 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -1.857 -3.364 8.891 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.261 -2.406 8.363 1.00 0.00 H new ATOM 783 N VAL A 61 -3.029 -7.042 4.119 1.00 0.00 N ATOM 784 CA VAL A 61 -2.170 -7.528 3.046 1.00 0.00 C ATOM 785 C VAL A 61 -2.501 -6.846 1.724 1.00 0.00 C ATOM 786 O VAL A 61 -3.633 -6.911 1.245 1.00 0.00 O ATOM 787 CB VAL A 61 -2.299 -9.053 2.871 1.00 0.00 C ATOM 788 CG1 VAL A 61 -1.498 -9.523 1.666 1.00 0.00 C ATOM 789 CG2 VAL A 61 -1.851 -9.774 4.133 1.00 0.00 C ATOM 0 H VAL A 61 -4.027 -7.086 3.912 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.145 -7.287 3.328 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.348 -9.293 2.696 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -1.602 -10.603 1.559 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -1.871 -9.032 0.767 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -0.447 -9.272 1.807 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -1.949 -10.850 3.991 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -0.810 -9.529 4.342 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.473 -9.460 4.971 1.00 0.00 H new ATOM 799 N LYS A 62 -1.505 -6.191 1.137 1.00 0.00 N ATOM 800 CA LYS A 62 -1.688 -5.496 -0.132 1.00 0.00 C ATOM 801 C LYS A 62 -2.517 -6.337 -1.098 1.00 0.00 C ATOM 802 O LYS A 62 -3.497 -5.858 -1.669 1.00 0.00 O ATOM 803 CB LYS A 62 -0.331 -5.170 -0.759 1.00 0.00 C ATOM 804 CG LYS A 62 0.603 -6.365 -0.844 1.00 0.00 C ATOM 805 CD LYS A 62 2.046 -5.965 -0.581 1.00 0.00 C ATOM 806 CE LYS A 62 2.500 -6.395 0.806 1.00 0.00 C ATOM 807 NZ LYS A 62 3.356 -5.364 1.453 1.00 0.00 N ATOM 0 H LYS A 62 -0.562 -6.127 1.520 1.00 0.00 H new ATOM 0 HA LYS A 62 -2.223 -4.567 0.065 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.490 -4.772 -1.761 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.150 -4.384 -0.176 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.296 -7.120 -0.120 1.00 0.00 H new ATOM 0 HG3 LYS A 62 0.525 -6.820 -1.832 1.00 0.00 H new ATOM 0 HD2 LYS A 62 2.693 -6.417 -1.333 1.00 0.00 H new ATOM 0 HD3 LYS A 62 2.149 -4.884 -0.680 1.00 0.00 H new ATOM 0 HE2 LYS A 62 1.628 -6.587 1.431 1.00 0.00 H new ATOM 0 HE3 LYS A 62 3.052 -7.332 0.733 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 3.172 -5.352 2.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 4.357 -5.588 1.284 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 3.138 -4.430 1.051 1.00 0.00 H new ATOM 817 N ASP A 63 -2.118 -7.592 -1.275 1.00 0.00 N ATOM 818 CA ASP A 63 -2.825 -8.501 -2.170 1.00 0.00 C ATOM 819 C ASP A 63 -4.293 -8.622 -1.771 1.00 0.00 C ATOM 820 O ASP A 63 -5.181 -8.620 -2.624 1.00 0.00 O ATOM 821 CB ASP A 63 -2.165 -9.880 -2.157 1.00 0.00 C ATOM 822 CG ASP A 63 -2.677 -10.778 -3.267 1.00 0.00 C ATOM 823 OD1 ASP A 63 -2.366 -10.500 -4.443 1.00 0.00 O ATOM 824 OD2 ASP A 63 -3.388 -11.757 -2.958 1.00 0.00 O ATOM 0 H ASP A 63 -1.308 -8.003 -0.810 1.00 0.00 H new ATOM 0 HA ASP A 63 -2.773 -8.092 -3.179 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -1.086 -9.764 -2.256 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -2.347 -10.358 -1.194 1.00 0.00 H new ATOM 828 N LYS A 64 -4.541 -8.729 -0.471 1.00 0.00 N ATOM 829 CA LYS A 64 -5.900 -8.850 0.042 1.00 0.00 C ATOM 830 C LYS A 64 -6.523 -7.476 0.267 1.00 0.00 C ATOM 831 O LYS A 64 -7.691 -7.365 0.638 1.00 0.00 O ATOM 832 CB LYS A 64 -5.905 -9.644 1.350 1.00 0.00 C ATOM 833 CG LYS A 64 -5.016 -10.876 1.318 1.00 0.00 C ATOM 834 CD LYS A 64 -5.589 -11.952 0.412 1.00 0.00 C ATOM 835 CE LYS A 64 -5.050 -13.328 0.772 1.00 0.00 C ATOM 836 NZ LYS A 64 -5.420 -13.723 2.159 1.00 0.00 N ATOM 0 H LYS A 64 -3.817 -8.734 0.248 1.00 0.00 H new ATOM 0 HA LYS A 64 -6.495 -9.381 -0.701 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -5.580 -8.993 2.162 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -6.927 -9.949 1.576 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -4.021 -10.599 0.971 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -4.903 -11.271 2.328 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -6.676 -11.954 0.490 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -5.344 -11.724 -0.625 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -5.438 -14.065 0.069 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -3.965 -13.331 0.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -5.476 -14.760 2.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -4.699 -13.375 2.823 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -6.343 -13.311 2.403 1.00 0.00 H new ATOM 846 N VAL A 65 -5.734 -6.430 0.039 1.00 0.00 N ATOM 847 CA VAL A 65 -6.209 -5.063 0.214 1.00 0.00 C ATOM 848 C VAL A 65 -6.837 -4.530 -1.069 1.00 0.00 C ATOM 849 O VAL A 65 -6.458 -4.930 -2.171 1.00 0.00 O ATOM 850 CB VAL A 65 -5.066 -4.123 0.642 1.00 0.00 C ATOM 851 CG1 VAL A 65 -4.961 -2.942 -0.311 1.00 0.00 C ATOM 852 CG2 VAL A 65 -5.275 -3.647 2.072 1.00 0.00 C ATOM 0 H VAL A 65 -4.764 -6.504 -0.267 1.00 0.00 H new ATOM 0 HA VAL A 65 -6.963 -5.088 1.000 1.00 0.00 H new ATOM 0 HB VAL A 65 -4.128 -4.677 0.601 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -4.148 -2.289 0.007 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -4.761 -3.305 -1.319 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -5.898 -2.385 -0.305 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -4.458 -2.984 2.358 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -6.220 -3.109 2.142 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -5.296 -4.506 2.742 1.00 0.00 H new ATOM 862 N PHE A 66 -7.799 -3.626 -0.919 1.00 0.00 N ATOM 863 CA PHE A 66 -8.480 -3.038 -2.067 1.00 0.00 C ATOM 864 C PHE A 66 -8.134 -1.558 -2.206 1.00 0.00 C ATOM 865 O PHE A 66 -8.194 -1.026 -3.313 1.00 0.00 O ATOM 866 CB PHE A 66 -9.995 -3.208 -1.930 1.00 0.00 C ATOM 867 CG PHE A 66 -10.427 -4.640 -1.787 1.00 0.00 C ATOM 868 CD1 PHE A 66 -10.481 -5.240 -0.540 1.00 0.00 C ATOM 869 CD2 PHE A 66 -10.777 -5.384 -2.902 1.00 0.00 C ATOM 870 CE1 PHE A 66 -10.878 -6.557 -0.405 1.00 0.00 C ATOM 871 CE2 PHE A 66 -11.176 -6.702 -2.773 1.00 0.00 C ATOM 872 CZ PHE A 66 -11.225 -7.289 -1.524 1.00 0.00 C ATOM 0 H PHE A 66 -8.125 -3.285 -0.015 1.00 0.00 H new ATOM 0 HA PHE A 66 -8.142 -3.558 -2.963 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -10.339 -2.645 -1.062 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.482 -2.776 -2.804 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -10.210 -4.672 0.338 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -10.738 -4.930 -3.881 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -10.917 -7.013 0.573 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -11.449 -7.272 -3.649 1.00 0.00 H new ATOM 0 HZ PHE A 66 -11.534 -8.319 -1.422 1.00 0.00 H new