USER MOD reduce.3.24.130724 H: found=0, std=0, add=414, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 415 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 11 CYS SG : rot 99:sc= 0.303 USER MOD Set 1.2: A 36 TYR OH : rot -30:sc= 0.722 USER MOD Single : A 14 THR OG1 : rot -139:sc= 0.839 USER MOD Single : A 15 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00537) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HE2:sc= -0.155 K(o=-0.16,f=-1.3) USER MOD Single : A 22 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 GLN : amide:sc= -0.0104 X(o=-0.01,f=0) USER MOD Single : A 29 SER OG : rot 172:sc= -0.153 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0282) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl -143:sc= -0.14 (180deg=-0.844) USER MOD Single : A 48 ASN : amide:sc= -0.448 X(o=-0.45,f=0) USER MOD Single : A 54 SER OG : rot 76:sc= 1.18 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 168 N VAL A 10 -5.200 5.239 -5.966 1.00 0.00 N ATOM 169 CA VAL A 10 -5.212 5.568 -4.544 1.00 0.00 C ATOM 170 C VAL A 10 -6.390 4.887 -3.849 1.00 0.00 C ATOM 171 O VAL A 10 -7.459 4.717 -4.447 1.00 0.00 O ATOM 172 CB VAL A 10 -5.282 7.096 -4.309 1.00 0.00 C ATOM 173 CG1 VAL A 10 -4.044 7.779 -4.871 1.00 0.00 C ATOM 174 CG2 VAL A 10 -6.535 7.692 -4.936 1.00 0.00 C ATOM 0 HA VAL A 10 -4.277 5.202 -4.119 1.00 0.00 H new ATOM 0 HB VAL A 10 -5.323 7.266 -3.233 1.00 0.00 H new ATOM 0 HG11 VAL A 10 -4.110 8.853 -4.697 1.00 0.00 H new ATOM 0 HG12 VAL A 10 -3.156 7.385 -4.377 1.00 0.00 H new ATOM 0 HG13 VAL A 10 -3.978 7.589 -5.942 1.00 0.00 H new ATOM 0 HG21 VAL A 10 -6.557 8.767 -4.755 1.00 0.00 H new ATOM 0 HG22 VAL A 10 -6.529 7.505 -6.010 1.00 0.00 H new ATOM 0 HG23 VAL A 10 -7.418 7.231 -4.493 1.00 0.00 H new ATOM 184 N CYS A 11 -6.184 4.496 -2.597 1.00 0.00 N ATOM 185 CA CYS A 11 -7.157 3.690 -1.875 1.00 0.00 C ATOM 186 C CYS A 11 -8.523 4.379 -1.850 1.00 0.00 C ATOM 187 O CYS A 11 -8.610 5.593 -1.651 1.00 0.00 O ATOM 188 CB CYS A 11 -6.658 3.457 -0.446 1.00 0.00 C ATOM 189 SG CYS A 11 -7.559 2.187 0.472 1.00 0.00 S ATOM 0 H CYS A 11 -5.348 4.726 -2.060 1.00 0.00 H new ATOM 0 HA CYS A 11 -7.271 2.733 -2.384 1.00 0.00 H new ATOM 0 HB2 CYS A 11 -5.605 3.180 -0.484 1.00 0.00 H new ATOM 0 HB3 CYS A 11 -6.720 4.396 0.104 1.00 0.00 H new ATOM 0 HG CYS A 11 -6.895 1.070 0.432 1.00 0.00 H new ATOM 195 N PRO A 12 -9.612 3.608 -2.015 1.00 0.00 N ATOM 196 CA PRO A 12 -10.966 4.150 -2.066 1.00 0.00 C ATOM 197 C PRO A 12 -11.546 4.417 -0.684 1.00 0.00 C ATOM 198 O PRO A 12 -12.497 5.184 -0.542 1.00 0.00 O ATOM 199 CB PRO A 12 -11.779 3.055 -2.773 1.00 0.00 C ATOM 200 CG PRO A 12 -10.815 1.956 -3.102 1.00 0.00 C ATOM 201 CD PRO A 12 -9.619 2.155 -2.218 1.00 0.00 C ATOM 0 HA PRO A 12 -10.985 5.113 -2.577 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -12.579 2.689 -2.130 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -12.249 3.443 -3.677 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -11.267 0.979 -2.928 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -10.530 1.993 -4.153 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -9.716 1.614 -1.277 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -8.701 1.807 -2.692 1.00 0.00 H new ATOM 209 N VAL A 13 -10.963 3.785 0.330 1.00 0.00 N ATOM 210 CA VAL A 13 -11.467 3.881 1.696 1.00 0.00 C ATOM 211 C VAL A 13 -11.521 5.331 2.166 1.00 0.00 C ATOM 212 O VAL A 13 -12.574 5.823 2.572 1.00 0.00 O ATOM 213 CB VAL A 13 -10.603 3.055 2.676 1.00 0.00 C ATOM 214 CG1 VAL A 13 -11.120 3.181 4.102 1.00 0.00 C ATOM 215 CG2 VAL A 13 -10.563 1.595 2.253 1.00 0.00 C ATOM 0 H VAL A 13 -10.136 3.197 0.230 1.00 0.00 H new ATOM 0 HA VAL A 13 -12.478 3.473 1.689 1.00 0.00 H new ATOM 0 HB VAL A 13 -9.589 3.454 2.647 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -10.493 2.590 4.770 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -11.091 4.227 4.408 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -12.146 2.817 4.150 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -9.950 1.029 2.955 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -11.575 1.190 2.247 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -10.135 1.517 1.253 1.00 0.00 H new ATOM 225 N THR A 14 -10.391 6.011 2.110 1.00 0.00 N ATOM 226 CA THR A 14 -10.327 7.395 2.543 1.00 0.00 C ATOM 227 C THR A 14 -10.029 8.340 1.382 1.00 0.00 C ATOM 228 O THR A 14 -10.194 9.556 1.507 1.00 0.00 O ATOM 229 CB THR A 14 -9.264 7.561 3.638 1.00 0.00 C ATOM 230 OG1 THR A 14 -8.158 6.684 3.373 1.00 0.00 O ATOM 231 CG2 THR A 14 -9.844 7.256 5.012 1.00 0.00 C ATOM 0 H THR A 14 -9.508 5.630 1.770 1.00 0.00 H new ATOM 0 HA THR A 14 -11.306 7.657 2.944 1.00 0.00 H new ATOM 0 HB THR A 14 -8.922 8.596 3.633 1.00 0.00 H new ATOM 0 HG1 THR A 14 -7.851 6.282 4.212 1.00 0.00 H new ATOM 0 HG21 THR A 14 -9.070 7.381 5.769 1.00 0.00 H new ATOM 0 HG22 THR A 14 -10.668 7.939 5.219 1.00 0.00 H new ATOM 0 HG23 THR A 14 -10.210 6.229 5.033 1.00 0.00 H new ATOM 239 N LYS A 15 -9.611 7.767 0.251 1.00 0.00 N ATOM 240 CA LYS A 15 -9.219 8.533 -0.933 1.00 0.00 C ATOM 241 C LYS A 15 -8.119 9.533 -0.590 1.00 0.00 C ATOM 242 O LYS A 15 -8.379 10.713 -0.325 1.00 0.00 O ATOM 243 CB LYS A 15 -10.425 9.236 -1.571 1.00 0.00 C ATOM 244 CG LYS A 15 -10.096 9.994 -2.852 1.00 0.00 C ATOM 245 CD LYS A 15 -11.362 10.461 -3.555 1.00 0.00 C ATOM 246 CE LYS A 15 -11.059 11.254 -4.818 1.00 0.00 C ATOM 247 NZ LYS A 15 -10.510 12.605 -4.520 1.00 0.00 N ATOM 0 H LYS A 15 -9.535 6.757 0.131 1.00 0.00 H new ATOM 0 HA LYS A 15 -8.824 7.832 -1.668 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -11.192 8.493 -1.788 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -10.851 9.932 -0.848 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -9.468 10.854 -2.618 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -9.521 9.352 -3.520 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -11.974 9.596 -3.809 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -11.948 11.077 -2.873 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -10.345 10.701 -5.429 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -11.970 11.357 -5.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -10.367 13.126 -5.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -11.178 13.126 -3.917 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -9.600 12.509 -4.025 1.00 0.00 H new ATOM 261 N GLY A 16 -6.894 9.043 -0.560 1.00 0.00 N ATOM 262 CA GLY A 16 -5.760 9.884 -0.257 1.00 0.00 C ATOM 263 C GLY A 16 -4.532 9.435 -1.010 1.00 0.00 C ATOM 264 O GLY A 16 -4.455 8.282 -1.439 1.00 0.00 O ATOM 0 H GLY A 16 -6.663 8.066 -0.742 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -5.991 10.917 -0.515 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -5.562 9.860 0.815 1.00 0.00 H new ATOM 268 N ARG A 17 -3.585 10.338 -1.190 1.00 0.00 N ATOM 269 CA ARG A 17 -2.387 10.043 -1.923 1.00 0.00 C ATOM 270 C ARG A 17 -1.414 9.258 -1.048 1.00 0.00 C ATOM 271 O ARG A 17 -1.364 9.444 0.170 1.00 0.00 O ATOM 272 CB ARG A 17 -1.772 11.349 -2.406 1.00 0.00 C ATOM 273 CG ARG A 17 -2.783 12.287 -3.051 1.00 0.00 C ATOM 274 CD ARG A 17 -2.196 13.035 -4.238 1.00 0.00 C ATOM 275 NE ARG A 17 -0.968 13.750 -3.903 1.00 0.00 N ATOM 276 CZ ARG A 17 -0.143 14.261 -4.815 1.00 0.00 C ATOM 277 NH1 ARG A 17 -0.473 14.232 -6.107 1.00 0.00 N ATOM 278 NH2 ARG A 17 0.995 14.828 -4.436 1.00 0.00 N ATOM 0 H ARG A 17 -3.633 11.291 -0.830 1.00 0.00 H new ATOM 0 HA ARG A 17 -2.621 9.423 -2.789 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -1.303 11.856 -1.563 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -0.982 11.127 -3.124 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -3.651 11.714 -3.378 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -3.135 13.004 -2.310 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.992 12.328 -5.042 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.933 13.744 -4.616 1.00 0.00 H new ATOM 0 HE ARG A 17 -0.729 13.864 -2.918 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -1.359 13.818 -6.398 1.00 0.00 H new ATOM 0 HH12 ARG A 17 0.160 14.624 -6.804 1.00 0.00 H new ATOM 0 HH21 ARG A 17 1.238 14.872 -3.446 1.00 0.00 H new ATOM 0 HH22 ARG A 17 1.627 15.219 -5.134 1.00 0.00 H new ATOM 292 N LEU A 18 -0.650 8.378 -1.673 1.00 0.00 N ATOM 293 CA LEU A 18 0.207 7.454 -0.943 1.00 0.00 C ATOM 294 C LEU A 18 1.671 7.787 -1.176 1.00 0.00 C ATOM 295 O LEU A 18 2.078 8.060 -2.306 1.00 0.00 O ATOM 296 CB LEU A 18 -0.084 6.020 -1.389 1.00 0.00 C ATOM 297 CG LEU A 18 -1.565 5.639 -1.410 1.00 0.00 C ATOM 298 CD1 LEU A 18 -1.739 4.205 -1.874 1.00 0.00 C ATOM 299 CD2 LEU A 18 -2.195 5.837 -0.040 1.00 0.00 C ATOM 0 H LEU A 18 -0.605 8.283 -2.688 1.00 0.00 H new ATOM 0 HA LEU A 18 -0.001 7.548 0.123 1.00 0.00 H new ATOM 0 HB2 LEU A 18 0.327 5.875 -2.388 1.00 0.00 H new ATOM 0 HB3 LEU A 18 0.443 5.335 -0.725 1.00 0.00 H new ATOM 0 HG LEU A 18 -2.075 6.295 -2.116 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -2.799 3.951 -1.883 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -1.332 4.096 -2.879 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -1.212 3.536 -1.194 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -3.248 5.559 -0.080 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -1.682 5.211 0.690 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -2.106 6.883 0.253 1.00 0.00 H new ATOM 311 N GLU A 19 2.455 7.765 -0.107 1.00 0.00 N ATOM 312 CA GLU A 19 3.878 8.042 -0.204 1.00 0.00 C ATOM 313 C GLU A 19 4.630 6.765 -0.545 1.00 0.00 C ATOM 314 O GLU A 19 4.580 5.784 0.204 1.00 0.00 O ATOM 315 CB GLU A 19 4.418 8.620 1.107 1.00 0.00 C ATOM 316 CG GLU A 19 3.778 9.939 1.516 1.00 0.00 C ATOM 317 CD GLU A 19 4.487 10.594 2.688 1.00 0.00 C ATOM 318 OE1 GLU A 19 5.520 11.264 2.465 1.00 0.00 O ATOM 319 OE2 GLU A 19 4.015 10.448 3.833 1.00 0.00 O ATOM 0 H GLU A 19 2.128 7.558 0.837 1.00 0.00 H new ATOM 0 HA GLU A 19 4.027 8.779 -0.993 1.00 0.00 H new ATOM 0 HB2 GLU A 19 4.264 7.892 1.903 1.00 0.00 H new ATOM 0 HB3 GLU A 19 5.494 8.765 1.011 1.00 0.00 H new ATOM 0 HG2 GLU A 19 3.784 10.621 0.665 1.00 0.00 H new ATOM 0 HG3 GLU A 19 2.734 9.766 1.778 1.00 0.00 H new ATOM 326 N TYR A 20 5.312 6.773 -1.679 1.00 0.00 N ATOM 327 CA TYR A 20 6.070 5.611 -2.102 1.00 0.00 C ATOM 328 C TYR A 20 7.437 5.619 -1.437 1.00 0.00 C ATOM 329 O TYR A 20 7.997 6.680 -1.155 1.00 0.00 O ATOM 330 CB TYR A 20 6.213 5.561 -3.630 1.00 0.00 C ATOM 331 CG TYR A 20 7.104 6.631 -4.228 1.00 0.00 C ATOM 332 CD1 TYR A 20 6.602 7.883 -4.564 1.00 0.00 C ATOM 333 CD2 TYR A 20 8.450 6.379 -4.471 1.00 0.00 C ATOM 334 CE1 TYR A 20 7.415 8.852 -5.122 1.00 0.00 C ATOM 335 CE2 TYR A 20 9.268 7.341 -5.028 1.00 0.00 C ATOM 336 CZ TYR A 20 8.748 8.576 -5.351 1.00 0.00 C ATOM 337 OH TYR A 20 9.560 9.537 -5.910 1.00 0.00 O ATOM 0 H TYR A 20 5.355 7.567 -2.318 1.00 0.00 H new ATOM 0 HA TYR A 20 5.527 4.717 -1.795 1.00 0.00 H new ATOM 0 HB2 TYR A 20 6.606 4.584 -3.911 1.00 0.00 H new ATOM 0 HB3 TYR A 20 5.222 5.645 -4.075 1.00 0.00 H new ATOM 0 HD1 TYR A 20 5.560 8.102 -4.386 1.00 0.00 H new ATOM 0 HD2 TYR A 20 8.863 5.413 -4.219 1.00 0.00 H new ATOM 0 HE1 TYR A 20 7.009 9.820 -5.377 1.00 0.00 H new ATOM 0 HE2 TYR A 20 10.311 7.127 -5.210 1.00 0.00 H new ATOM 0 HH TYR A 20 10.469 9.183 -6.003 1.00 0.00 H new ATOM 347 N HIS A 21 7.960 4.440 -1.172 1.00 0.00 N ATOM 348 CA HIS A 21 9.243 4.316 -0.509 1.00 0.00 C ATOM 349 C HIS A 21 10.313 3.848 -1.487 1.00 0.00 C ATOM 350 O HIS A 21 10.026 3.629 -2.661 1.00 0.00 O ATOM 351 CB HIS A 21 9.118 3.380 0.684 1.00 0.00 C ATOM 352 CG HIS A 21 8.458 4.022 1.862 1.00 0.00 C ATOM 353 ND1 HIS A 21 7.115 4.321 1.901 1.00 0.00 N ATOM 354 CD2 HIS A 21 8.974 4.459 3.035 1.00 0.00 C ATOM 355 CE1 HIS A 21 6.834 4.916 3.047 1.00 0.00 C ATOM 356 NE2 HIS A 21 7.945 5.015 3.755 1.00 0.00 N ATOM 0 H HIS A 21 7.516 3.552 -1.406 1.00 0.00 H new ATOM 0 HA HIS A 21 9.553 5.294 -0.140 1.00 0.00 H new ATOM 0 HB2 HIS A 21 8.547 2.499 0.390 1.00 0.00 H new ATOM 0 HB3 HIS A 21 10.110 3.035 0.974 1.00 0.00 H new ATOM 0 HD1 HIS A 21 6.443 4.116 1.162 1.00 0.00 H new ATOM 0 HD2 HIS A 21 10.005 4.384 3.347 1.00 0.00 H new ATOM 0 HE1 HIS A 21 5.859 5.263 3.354 1.00 0.00 H new ATOM 365 N GLN A 22 11.540 3.689 -1.012 1.00 0.00 N ATOM 366 CA GLN A 22 12.670 3.499 -1.912 1.00 0.00 C ATOM 367 C GLN A 22 13.208 2.071 -1.890 1.00 0.00 C ATOM 368 O GLN A 22 13.987 1.694 -2.766 1.00 0.00 O ATOM 369 CB GLN A 22 13.789 4.484 -1.571 1.00 0.00 C ATOM 370 CG GLN A 22 14.300 4.366 -0.145 1.00 0.00 C ATOM 371 CD GLN A 22 15.439 5.321 0.142 1.00 0.00 C ATOM 372 OE1 GLN A 22 16.605 4.989 -0.062 1.00 0.00 O ATOM 373 NE2 GLN A 22 15.112 6.513 0.618 1.00 0.00 N ATOM 0 H GLN A 22 11.778 3.687 -0.020 1.00 0.00 H new ATOM 0 HA GLN A 22 12.306 3.689 -2.921 1.00 0.00 H new ATOM 0 HB2 GLN A 22 14.620 4.327 -2.258 1.00 0.00 H new ATOM 0 HB3 GLN A 22 13.428 5.499 -1.734 1.00 0.00 H new ATOM 0 HG2 GLN A 22 13.482 4.562 0.548 1.00 0.00 H new ATOM 0 HG3 GLN A 22 14.633 3.344 0.035 1.00 0.00 H new ATOM 0 HE21 GLN A 22 14.132 6.749 0.773 1.00 0.00 H new ATOM 0 HE22 GLN A 22 15.840 7.195 0.830 1.00 0.00 H new ATOM 382 N ASP A 23 12.802 1.278 -0.908 1.00 0.00 N ATOM 383 CA ASP A 23 13.297 -0.092 -0.802 1.00 0.00 C ATOM 384 C ASP A 23 12.609 -0.996 -1.815 1.00 0.00 C ATOM 385 O ASP A 23 13.269 -1.641 -2.628 1.00 0.00 O ATOM 386 CB ASP A 23 13.119 -0.651 0.614 1.00 0.00 C ATOM 387 CG ASP A 23 14.068 -0.020 1.616 1.00 0.00 C ATOM 388 OD1 ASP A 23 15.299 -0.159 1.450 1.00 0.00 O ATOM 389 OD2 ASP A 23 13.589 0.631 2.570 1.00 0.00 O ATOM 0 H ASP A 23 12.141 1.552 -0.182 1.00 0.00 H new ATOM 0 HA ASP A 23 14.365 -0.068 -1.021 1.00 0.00 H new ATOM 0 HB2 ASP A 23 12.092 -0.486 0.939 1.00 0.00 H new ATOM 0 HB3 ASP A 23 13.279 -1.729 0.597 1.00 0.00 H new ATOM 394 N LYS A 24 11.286 -1.046 -1.767 1.00 0.00 N ATOM 395 CA LYS A 24 10.520 -1.856 -2.697 1.00 0.00 C ATOM 396 C LYS A 24 9.421 -1.035 -3.363 1.00 0.00 C ATOM 397 O LYS A 24 8.439 -1.590 -3.860 1.00 0.00 O ATOM 398 CB LYS A 24 9.915 -3.053 -1.967 1.00 0.00 C ATOM 399 CG LYS A 24 10.957 -4.025 -1.443 1.00 0.00 C ATOM 400 CD LYS A 24 10.330 -5.340 -1.000 1.00 0.00 C ATOM 401 CE LYS A 24 11.380 -6.427 -0.820 1.00 0.00 C ATOM 402 NZ LYS A 24 12.328 -6.137 0.290 1.00 0.00 N ATOM 0 H LYS A 24 10.721 -0.533 -1.091 1.00 0.00 H new ATOM 0 HA LYS A 24 11.193 -2.213 -3.476 1.00 0.00 H new ATOM 0 HB2 LYS A 24 9.311 -2.694 -1.134 1.00 0.00 H new ATOM 0 HB3 LYS A 24 9.243 -3.581 -2.644 1.00 0.00 H new ATOM 0 HG2 LYS A 24 11.697 -4.218 -2.220 1.00 0.00 H new ATOM 0 HG3 LYS A 24 11.486 -3.573 -0.604 1.00 0.00 H new ATOM 0 HD2 LYS A 24 9.795 -5.191 -0.062 1.00 0.00 H new ATOM 0 HD3 LYS A 24 9.596 -5.661 -1.739 1.00 0.00 H new ATOM 0 HE2 LYS A 24 10.883 -7.378 -0.627 1.00 0.00 H new ATOM 0 HE3 LYS A 24 11.939 -6.542 -1.748 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 13.020 -6.910 0.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 12.826 -5.244 0.097 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 11.802 -6.054 1.183 1.00 0.00 H new ATOM 416 N GLN A 25 9.615 0.286 -3.394 1.00 0.00 N ATOM 417 CA GLN A 25 8.646 1.214 -3.980 1.00 0.00 C ATOM 418 C GLN A 25 7.268 1.036 -3.341 1.00 0.00 C ATOM 419 O GLN A 25 6.241 1.113 -4.018 1.00 0.00 O ATOM 420 CB GLN A 25 8.558 0.991 -5.492 1.00 0.00 C ATOM 421 CG GLN A 25 9.901 1.058 -6.203 1.00 0.00 C ATOM 422 CD GLN A 25 10.509 2.447 -6.216 1.00 0.00 C ATOM 423 OE1 GLN A 25 10.243 3.253 -7.111 1.00 0.00 O ATOM 424 NE2 GLN A 25 11.366 2.724 -5.248 1.00 0.00 N ATOM 0 H GLN A 25 10.446 0.741 -3.015 1.00 0.00 H new ATOM 0 HA GLN A 25 8.983 2.232 -3.787 1.00 0.00 H new ATOM 0 HB2 GLN A 25 8.106 0.017 -5.680 1.00 0.00 H new ATOM 0 HB3 GLN A 25 7.892 1.740 -5.922 1.00 0.00 H new ATOM 0 HG2 GLN A 25 10.595 0.371 -5.718 1.00 0.00 H new ATOM 0 HG3 GLN A 25 9.777 0.714 -7.230 1.00 0.00 H new ATOM 0 HE21 GLN A 25 11.560 2.031 -4.525 1.00 0.00 H new ATOM 0 HE22 GLN A 25 11.833 3.631 -5.224 1.00 0.00 H new ATOM 433 N GLU A 26 7.250 0.811 -2.031 1.00 0.00 N ATOM 434 CA GLU A 26 6.007 0.513 -1.328 1.00 0.00 C ATOM 435 C GLU A 26 5.193 1.777 -1.061 1.00 0.00 C ATOM 436 O GLU A 26 5.707 2.757 -0.513 1.00 0.00 O ATOM 437 CB GLU A 26 6.272 -0.196 0.007 1.00 0.00 C ATOM 438 CG GLU A 26 7.582 -0.967 0.076 1.00 0.00 C ATOM 439 CD GLU A 26 8.740 -0.106 0.545 1.00 0.00 C ATOM 440 OE1 GLU A 26 8.881 0.089 1.772 1.00 0.00 O ATOM 441 OE2 GLU A 26 9.509 0.382 -0.311 1.00 0.00 O ATOM 0 H GLU A 26 8.079 0.829 -1.437 1.00 0.00 H new ATOM 0 HA GLU A 26 5.437 -0.148 -1.981 1.00 0.00 H new ATOM 0 HB2 GLU A 26 6.263 0.547 0.804 1.00 0.00 H new ATOM 0 HB3 GLU A 26 5.451 -0.885 0.204 1.00 0.00 H new ATOM 0 HG2 GLU A 26 7.466 -1.814 0.752 1.00 0.00 H new ATOM 0 HG3 GLU A 26 7.812 -1.375 -0.908 1.00 0.00 H new ATOM 448 N LEU A 27 3.925 1.745 -1.451 1.00 0.00 N ATOM 449 CA LEU A 27 2.985 2.804 -1.111 1.00 0.00 C ATOM 450 C LEU A 27 2.406 2.531 0.264 1.00 0.00 C ATOM 451 O LEU A 27 1.698 1.544 0.455 1.00 0.00 O ATOM 452 CB LEU A 27 1.835 2.877 -2.118 1.00 0.00 C ATOM 453 CG LEU A 27 2.198 3.337 -3.528 1.00 0.00 C ATOM 454 CD1 LEU A 27 0.966 3.303 -4.416 1.00 0.00 C ATOM 455 CD2 LEU A 27 2.789 4.737 -3.500 1.00 0.00 C ATOM 0 H LEU A 27 3.522 0.991 -2.007 1.00 0.00 H new ATOM 0 HA LEU A 27 3.523 3.752 -1.128 1.00 0.00 H new ATOM 0 HB2 LEU A 27 1.378 1.890 -2.187 1.00 0.00 H new ATOM 0 HB3 LEU A 27 1.076 3.552 -1.723 1.00 0.00 H new ATOM 0 HG LEU A 27 2.948 2.658 -3.934 1.00 0.00 H new ATOM 0 HD11 LEU A 27 1.232 3.632 -5.420 1.00 0.00 H new ATOM 0 HD12 LEU A 27 0.576 2.286 -4.459 1.00 0.00 H new ATOM 0 HD13 LEU A 27 0.204 3.966 -4.007 1.00 0.00 H new ATOM 0 HD21 LEU A 27 3.041 5.046 -4.514 1.00 0.00 H new ATOM 0 HD22 LEU A 27 2.061 5.431 -3.080 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.690 4.740 -2.886 1.00 0.00 H new ATOM 467 N TRP A 28 2.685 3.397 1.217 1.00 0.00 N ATOM 468 CA TRP A 28 2.204 3.186 2.570 1.00 0.00 C ATOM 469 C TRP A 28 0.992 4.056 2.838 1.00 0.00 C ATOM 470 O TRP A 28 1.069 5.286 2.783 1.00 0.00 O ATOM 471 CB TRP A 28 3.309 3.448 3.592 1.00 0.00 C ATOM 472 CG TRP A 28 4.273 2.304 3.719 1.00 0.00 C ATOM 473 CD1 TRP A 28 5.230 1.927 2.821 1.00 0.00 C ATOM 474 CD2 TRP A 28 4.372 1.386 4.816 1.00 0.00 C ATOM 475 NE1 TRP A 28 5.914 0.832 3.288 1.00 0.00 N ATOM 476 CE2 TRP A 28 5.405 0.480 4.511 1.00 0.00 C ATOM 477 CE3 TRP A 28 3.689 1.240 6.024 1.00 0.00 C ATOM 478 CZ2 TRP A 28 5.769 -0.554 5.372 1.00 0.00 C ATOM 479 CZ3 TRP A 28 4.051 0.213 6.877 1.00 0.00 C ATOM 480 CH2 TRP A 28 5.083 -0.671 6.551 1.00 0.00 C ATOM 0 H TRP A 28 3.236 4.245 1.084 1.00 0.00 H new ATOM 0 HA TRP A 28 1.905 2.143 2.671 1.00 0.00 H new ATOM 0 HB2 TRP A 28 3.856 4.347 3.306 1.00 0.00 H new ATOM 0 HB3 TRP A 28 2.858 3.646 4.564 1.00 0.00 H new ATOM 0 HD1 TRP A 28 5.421 2.419 1.879 1.00 0.00 H new ATOM 0 HE1 TRP A 28 6.676 0.358 2.804 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.891 1.918 6.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 6.564 -1.239 5.118 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 3.526 0.092 7.813 1.00 0.00 H new ATOM 0 HH2 TRP A 28 5.344 -1.460 7.241 1.00 0.00 H new ATOM 491 N SER A 29 -0.127 3.409 3.111 1.00 0.00 N ATOM 492 CA SER A 29 -1.378 4.105 3.318 1.00 0.00 C ATOM 493 C SER A 29 -1.657 4.248 4.807 1.00 0.00 C ATOM 494 O SER A 29 -2.193 3.341 5.439 1.00 0.00 O ATOM 495 CB SER A 29 -2.508 3.337 2.636 1.00 0.00 C ATOM 496 OG SER A 29 -2.132 2.936 1.330 1.00 0.00 O ATOM 0 H SER A 29 -0.191 2.394 3.194 1.00 0.00 H new ATOM 0 HA SER A 29 -1.312 5.102 2.882 1.00 0.00 H new ATOM 0 HB2 SER A 29 -2.767 2.460 3.229 1.00 0.00 H new ATOM 0 HB3 SER A 29 -3.399 3.962 2.586 1.00 0.00 H new ATOM 0 HG SER A 29 -2.818 2.342 0.960 1.00 0.00 H new ATOM 502 N ARG A 30 -1.279 5.386 5.365 1.00 0.00 N ATOM 503 CA ARG A 30 -1.437 5.633 6.791 1.00 0.00 C ATOM 504 C ARG A 30 -2.919 5.716 7.138 1.00 0.00 C ATOM 505 O ARG A 30 -3.353 5.260 8.191 1.00 0.00 O ATOM 506 CB ARG A 30 -0.714 6.935 7.168 1.00 0.00 C ATOM 507 CG ARG A 30 -0.288 7.038 8.630 1.00 0.00 C ATOM 508 CD ARG A 30 -1.459 7.260 9.576 1.00 0.00 C ATOM 509 NE ARG A 30 -1.005 7.491 10.946 1.00 0.00 N ATOM 510 CZ ARG A 30 -1.432 6.806 12.005 1.00 0.00 C ATOM 511 NH1 ARG A 30 -2.357 5.861 11.868 1.00 0.00 N ATOM 512 NH2 ARG A 30 -0.936 7.081 13.206 1.00 0.00 N ATOM 0 H ARG A 30 -0.858 6.159 4.849 1.00 0.00 H new ATOM 0 HA ARG A 30 -0.997 4.813 7.358 1.00 0.00 H new ATOM 0 HB2 ARG A 30 0.171 7.036 6.540 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -1.368 7.776 6.936 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.235 6.125 8.916 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.421 7.859 8.739 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -2.045 8.114 9.237 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.118 6.392 9.551 1.00 0.00 H new ATOM 0 HE ARG A 30 -0.315 8.226 11.101 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.745 5.656 10.947 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -2.679 5.340 12.684 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -0.233 7.812 13.312 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.258 6.561 14.022 1.00 0.00 H new ATOM 526 N GLN A 31 -3.692 6.280 6.222 1.00 0.00 N ATOM 527 CA GLN A 31 -5.107 6.489 6.433 1.00 0.00 C ATOM 528 C GLN A 31 -5.942 5.339 5.863 1.00 0.00 C ATOM 529 O GLN A 31 -7.167 5.439 5.761 1.00 0.00 O ATOM 530 CB GLN A 31 -5.501 7.807 5.794 1.00 0.00 C ATOM 531 CG GLN A 31 -4.776 9.006 6.392 1.00 0.00 C ATOM 532 CD GLN A 31 -5.133 10.313 5.708 1.00 0.00 C ATOM 533 OE1 GLN A 31 -4.495 10.707 4.733 1.00 0.00 O ATOM 534 NE2 GLN A 31 -6.139 11.004 6.222 1.00 0.00 N ATOM 0 H GLN A 31 -3.353 6.603 5.316 1.00 0.00 H new ATOM 0 HA GLN A 31 -5.305 6.519 7.504 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -5.293 7.761 4.725 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -6.576 7.949 5.904 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -5.018 9.079 7.452 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -3.700 8.846 6.321 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -6.644 10.644 7.032 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -6.409 11.896 5.808 1.00 0.00 H new ATOM 543 N ALA A 32 -5.279 4.252 5.480 1.00 0.00 N ATOM 544 CA ALA A 32 -5.979 3.067 4.998 1.00 0.00 C ATOM 545 C ALA A 32 -5.473 1.814 5.704 1.00 0.00 C ATOM 546 O ALA A 32 -6.076 0.747 5.590 1.00 0.00 O ATOM 547 CB ALA A 32 -5.825 2.931 3.491 1.00 0.00 C ATOM 0 H ALA A 32 -4.263 4.167 5.494 1.00 0.00 H new ATOM 0 HA ALA A 32 -7.039 3.181 5.227 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.354 2.041 3.150 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -6.242 3.811 3.002 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -4.768 2.843 3.240 1.00 0.00 H new ATOM 553 N LYS A 33 -4.355 1.957 6.424 1.00 0.00 N ATOM 554 CA LYS A 33 -3.768 0.871 7.209 1.00 0.00 C ATOM 555 C LYS A 33 -3.302 -0.273 6.316 1.00 0.00 C ATOM 556 O LYS A 33 -3.169 -1.416 6.760 1.00 0.00 O ATOM 557 CB LYS A 33 -4.761 0.380 8.267 1.00 0.00 C ATOM 558 CG LYS A 33 -5.202 1.482 9.214 1.00 0.00 C ATOM 559 CD LYS A 33 -6.263 1.003 10.186 1.00 0.00 C ATOM 560 CE LYS A 33 -6.780 2.149 11.037 1.00 0.00 C ATOM 561 NZ LYS A 33 -7.839 1.710 11.979 1.00 0.00 N ATOM 0 H LYS A 33 -3.833 2.831 6.477 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.887 1.260 7.720 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -5.637 -0.039 7.771 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.304 -0.426 8.842 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.339 1.849 9.770 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -5.590 2.322 8.638 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -7.089 0.553 9.635 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.848 0.227 10.829 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -5.954 2.585 11.599 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.173 2.932 10.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.163 2.523 12.540 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -8.639 1.318 11.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -7.457 0.981 12.615 1.00 0.00 H new ATOM 575 N LEU A 34 -3.008 0.055 5.068 1.00 0.00 N ATOM 576 CA LEU A 34 -2.528 -0.931 4.113 1.00 0.00 C ATOM 577 C LEU A 34 -1.287 -0.415 3.395 1.00 0.00 C ATOM 578 O LEU A 34 -0.895 0.738 3.567 1.00 0.00 O ATOM 579 CB LEU A 34 -3.610 -1.263 3.083 1.00 0.00 C ATOM 580 CG LEU A 34 -4.922 -1.811 3.655 1.00 0.00 C ATOM 581 CD1 LEU A 34 -5.963 -1.972 2.560 1.00 0.00 C ATOM 582 CD2 LEU A 34 -4.687 -3.141 4.351 1.00 0.00 C ATOM 0 H LEU A 34 -3.094 0.999 4.692 1.00 0.00 H new ATOM 0 HA LEU A 34 -2.276 -1.836 4.665 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -3.832 -0.361 2.512 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.207 -1.994 2.382 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.296 -1.094 4.386 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -6.886 -2.362 2.990 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.159 -1.004 2.099 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.593 -2.665 1.805 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.630 -3.514 4.751 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.286 -3.860 3.636 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.976 -3.005 5.166 1.00 0.00 H new ATOM 594 N ALA A 35 -0.686 -1.273 2.588 1.00 0.00 N ATOM 595 CA ALA A 35 0.492 -0.915 1.809 1.00 0.00 C ATOM 596 C ALA A 35 0.443 -1.612 0.459 1.00 0.00 C ATOM 597 O ALA A 35 0.212 -2.819 0.390 1.00 0.00 O ATOM 598 CB ALA A 35 1.765 -1.288 2.555 1.00 0.00 C ATOM 0 H ALA A 35 -0.998 -2.235 2.453 1.00 0.00 H new ATOM 0 HA ALA A 35 0.497 0.164 1.654 1.00 0.00 H new ATOM 0 HB1 ALA A 35 2.632 -1.012 1.955 1.00 0.00 H new ATOM 0 HB2 ALA A 35 1.798 -0.757 3.506 1.00 0.00 H new ATOM 0 HB3 ALA A 35 1.778 -2.362 2.738 1.00 0.00 H new ATOM 604 N TYR A 36 0.652 -0.862 -0.608 1.00 0.00 N ATOM 605 CA TYR A 36 0.538 -1.414 -1.951 1.00 0.00 C ATOM 606 C TYR A 36 1.865 -1.304 -2.696 1.00 0.00 C ATOM 607 O TYR A 36 2.595 -0.331 -2.529 1.00 0.00 O ATOM 608 CB TYR A 36 -0.546 -0.675 -2.741 1.00 0.00 C ATOM 609 CG TYR A 36 -1.862 -0.513 -2.009 1.00 0.00 C ATOM 610 CD1 TYR A 36 -2.607 -1.615 -1.613 1.00 0.00 C ATOM 611 CD2 TYR A 36 -2.363 0.752 -1.727 1.00 0.00 C ATOM 612 CE1 TYR A 36 -3.814 -1.462 -0.957 1.00 0.00 C ATOM 613 CE2 TYR A 36 -3.568 0.915 -1.070 1.00 0.00 C ATOM 614 CZ TYR A 36 -4.292 -0.193 -0.688 1.00 0.00 C ATOM 615 OH TYR A 36 -5.494 -0.033 -0.035 1.00 0.00 O ATOM 0 H TYR A 36 0.901 0.127 -0.574 1.00 0.00 H new ATOM 0 HA TYR A 36 0.267 -2.466 -1.859 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -0.171 0.313 -3.010 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.727 -1.211 -3.672 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -2.238 -2.608 -1.821 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -1.800 1.624 -2.027 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -4.381 -2.330 -0.656 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -3.940 1.906 -0.857 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.084 -0.786 -0.247 1.00 0.00 H new ATOM 625 N PRO A 37 2.198 -2.308 -3.521 1.00 0.00 N ATOM 626 CA PRO A 37 3.400 -2.288 -4.352 1.00 0.00 C ATOM 627 C PRO A 37 3.216 -1.466 -5.629 1.00 0.00 C ATOM 628 O PRO A 37 2.157 -1.507 -6.266 1.00 0.00 O ATOM 629 CB PRO A 37 3.633 -3.769 -4.703 1.00 0.00 C ATOM 630 CG PRO A 37 2.559 -4.540 -4.000 1.00 0.00 C ATOM 631 CD PRO A 37 1.463 -3.561 -3.684 1.00 0.00 C ATOM 0 HA PRO A 37 4.237 -1.825 -3.830 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.583 -3.926 -5.780 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.621 -4.095 -4.379 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.187 -5.348 -4.630 1.00 0.00 H new ATOM 0 HG3 PRO A 37 2.944 -4.998 -3.089 1.00 0.00 H new ATOM 0 HD2 PRO A 37 0.729 -3.500 -4.488 1.00 0.00 H new ATOM 0 HD3 PRO A 37 0.922 -3.835 -2.778 1.00 0.00 H new ATOM 639 N ILE A 38 4.248 -0.714 -5.988 1.00 0.00 N ATOM 640 CA ILE A 38 4.244 0.069 -7.215 1.00 0.00 C ATOM 641 C ILE A 38 5.101 -0.589 -8.287 1.00 0.00 C ATOM 642 O ILE A 38 6.255 -0.943 -8.041 1.00 0.00 O ATOM 643 CB ILE A 38 4.737 1.514 -6.953 1.00 0.00 C ATOM 644 CG1 ILE A 38 3.563 2.380 -6.515 1.00 0.00 C ATOM 645 CG2 ILE A 38 5.417 2.119 -8.181 1.00 0.00 C ATOM 646 CD1 ILE A 38 2.592 2.681 -7.633 1.00 0.00 C ATOM 0 H ILE A 38 5.105 -0.630 -5.441 1.00 0.00 H new ATOM 0 HA ILE A 38 3.215 0.113 -7.573 1.00 0.00 H new ATOM 0 HB ILE A 38 5.483 1.477 -6.159 1.00 0.00 H new ATOM 0 HG12 ILE A 38 3.031 1.877 -5.707 1.00 0.00 H new ATOM 0 HG13 ILE A 38 3.943 3.318 -6.111 1.00 0.00 H new ATOM 0 HG21 ILE A 38 5.747 3.132 -7.952 1.00 0.00 H new ATOM 0 HG22 ILE A 38 6.278 1.511 -8.457 1.00 0.00 H new ATOM 0 HG23 ILE A 38 4.711 2.146 -9.011 1.00 0.00 H new ATOM 0 HD11 ILE A 38 1.780 3.301 -7.253 1.00 0.00 H new ATOM 0 HD12 ILE A 38 3.110 3.211 -8.432 1.00 0.00 H new ATOM 0 HD13 ILE A 38 2.184 1.748 -8.022 1.00 0.00 H new ATOM 658 N LYS A 39 4.516 -0.787 -9.462 1.00 0.00 N ATOM 659 CA LYS A 39 5.250 -1.281 -10.608 1.00 0.00 C ATOM 660 C LYS A 39 5.228 -0.250 -11.733 1.00 0.00 C ATOM 661 O LYS A 39 4.253 -0.151 -12.483 1.00 0.00 O ATOM 662 CB LYS A 39 4.674 -2.612 -11.092 1.00 0.00 C ATOM 663 CG LYS A 39 5.207 -3.827 -10.339 1.00 0.00 C ATOM 664 CD LYS A 39 4.686 -3.897 -8.910 1.00 0.00 C ATOM 665 CE LYS A 39 5.435 -4.937 -8.086 1.00 0.00 C ATOM 666 NZ LYS A 39 5.362 -6.298 -8.685 1.00 0.00 N ATOM 0 H LYS A 39 3.528 -0.610 -9.641 1.00 0.00 H new ATOM 0 HA LYS A 39 6.284 -1.449 -10.306 1.00 0.00 H new ATOM 0 HB2 LYS A 39 3.589 -2.584 -10.994 1.00 0.00 H new ATOM 0 HB3 LYS A 39 4.896 -2.728 -12.153 1.00 0.00 H new ATOM 0 HG2 LYS A 39 4.923 -4.735 -10.872 1.00 0.00 H new ATOM 0 HG3 LYS A 39 6.296 -3.793 -10.325 1.00 0.00 H new ATOM 0 HD2 LYS A 39 4.785 -2.919 -8.438 1.00 0.00 H new ATOM 0 HD3 LYS A 39 3.623 -4.139 -8.922 1.00 0.00 H new ATOM 0 HE2 LYS A 39 6.480 -4.640 -7.994 1.00 0.00 H new ATOM 0 HE3 LYS A 39 5.021 -4.964 -7.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 5.798 -6.986 -8.038 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 4.367 -6.555 -8.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 5.870 -6.306 -9.592 1.00 0.00 H new ATOM 680 N ASP A 40 6.295 0.546 -11.800 1.00 0.00 N ATOM 681 CA ASP A 40 6.480 1.555 -12.850 1.00 0.00 C ATOM 682 C ASP A 40 5.368 2.602 -12.834 1.00 0.00 C ATOM 683 O ASP A 40 5.011 3.166 -13.870 1.00 0.00 O ATOM 684 CB ASP A 40 6.567 0.895 -14.230 1.00 0.00 C ATOM 685 CG ASP A 40 7.765 -0.026 -14.361 1.00 0.00 C ATOM 686 OD1 ASP A 40 8.913 0.467 -14.291 1.00 0.00 O ATOM 687 OD2 ASP A 40 7.567 -1.247 -14.545 1.00 0.00 O ATOM 0 H ASP A 40 7.060 0.511 -11.126 1.00 0.00 H new ATOM 0 HA ASP A 40 7.421 2.065 -12.644 1.00 0.00 H new ATOM 0 HB2 ASP A 40 5.655 0.328 -14.416 1.00 0.00 H new ATOM 0 HB3 ASP A 40 6.622 1.669 -14.996 1.00 0.00 H new ATOM 692 N GLY A 41 4.837 2.874 -11.649 1.00 0.00 N ATOM 693 CA GLY A 41 3.805 3.885 -11.509 1.00 0.00 C ATOM 694 C GLY A 41 2.414 3.309 -11.638 1.00 0.00 C ATOM 695 O GLY A 41 1.426 4.043 -11.648 1.00 0.00 O ATOM 0 H GLY A 41 5.103 2.412 -10.780 1.00 0.00 H new ATOM 0 HA2 GLY A 41 3.906 4.371 -10.539 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.949 4.655 -12.267 1.00 0.00 H new ATOM 699 N ILE A 42 2.341 1.995 -11.751 1.00 0.00 N ATOM 700 CA ILE A 42 1.072 1.286 -11.806 1.00 0.00 C ATOM 701 C ILE A 42 0.836 0.538 -10.495 1.00 0.00 C ATOM 702 O ILE A 42 1.327 -0.579 -10.316 1.00 0.00 O ATOM 703 CB ILE A 42 1.008 0.298 -12.995 1.00 0.00 C ATOM 704 CG1 ILE A 42 1.225 1.036 -14.323 1.00 0.00 C ATOM 705 CG2 ILE A 42 -0.328 -0.438 -13.010 1.00 0.00 C ATOM 706 CD1 ILE A 42 0.181 2.095 -14.613 1.00 0.00 C ATOM 0 H ILE A 42 3.159 1.388 -11.807 1.00 0.00 H new ATOM 0 HA ILE A 42 0.288 2.029 -11.954 1.00 0.00 H new ATOM 0 HB ILE A 42 1.805 -0.435 -12.872 1.00 0.00 H new ATOM 0 HG12 ILE A 42 2.210 1.504 -14.311 1.00 0.00 H new ATOM 0 HG13 ILE A 42 1.227 0.309 -15.135 1.00 0.00 H new ATOM 0 HG21 ILE A 42 -0.354 -1.128 -13.853 1.00 0.00 H new ATOM 0 HG22 ILE A 42 -0.447 -0.996 -12.081 1.00 0.00 H new ATOM 0 HG23 ILE A 42 -1.140 0.283 -13.106 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.402 2.572 -15.568 1.00 0.00 H new ATOM 0 HD12 ILE A 42 -0.805 1.632 -14.659 1.00 0.00 H new ATOM 0 HD13 ILE A 42 0.193 2.844 -13.822 1.00 0.00 H new ATOM 718 N PRO A 43 0.170 1.189 -9.526 1.00 0.00 N ATOM 719 CA PRO A 43 -0.088 0.595 -8.212 1.00 0.00 C ATOM 720 C PRO A 43 -0.873 -0.712 -8.335 1.00 0.00 C ATOM 721 O PRO A 43 -1.782 -0.819 -9.159 1.00 0.00 O ATOM 722 CB PRO A 43 -0.940 1.642 -7.487 1.00 0.00 C ATOM 723 CG PRO A 43 -0.741 2.914 -8.238 1.00 0.00 C ATOM 724 CD PRO A 43 -0.433 2.526 -9.656 1.00 0.00 C ATOM 0 HA PRO A 43 0.837 0.352 -7.690 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -1.991 1.353 -7.478 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -0.629 1.748 -6.448 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -1.635 3.536 -8.191 1.00 0.00 H new ATOM 0 HG3 PRO A 43 0.075 3.495 -7.808 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -1.334 2.502 -10.270 1.00 0.00 H new ATOM 0 HD3 PRO A 43 0.253 3.231 -10.125 1.00 0.00 H new ATOM 732 N TYR A 44 -0.524 -1.703 -7.530 1.00 0.00 N ATOM 733 CA TYR A 44 -1.239 -2.968 -7.537 1.00 0.00 C ATOM 734 C TYR A 44 -1.756 -3.292 -6.149 1.00 0.00 C ATOM 735 O TYR A 44 -1.082 -3.938 -5.352 1.00 0.00 O ATOM 736 CB TYR A 44 -0.365 -4.106 -8.072 1.00 0.00 C ATOM 737 CG TYR A 44 -0.294 -4.146 -9.581 1.00 0.00 C ATOM 738 CD1 TYR A 44 -1.421 -4.454 -10.330 1.00 0.00 C ATOM 739 CD2 TYR A 44 0.890 -3.872 -10.257 1.00 0.00 C ATOM 740 CE1 TYR A 44 -1.374 -4.492 -11.709 1.00 0.00 C ATOM 741 CE2 TYR A 44 0.944 -3.908 -11.638 1.00 0.00 C ATOM 742 CZ TYR A 44 -0.192 -4.218 -12.359 1.00 0.00 C ATOM 743 OH TYR A 44 -0.144 -4.258 -13.736 1.00 0.00 O ATOM 0 H TYR A 44 0.248 -1.656 -6.865 1.00 0.00 H new ATOM 0 HA TYR A 44 -2.090 -2.866 -8.210 1.00 0.00 H new ATOM 0 HB2 TYR A 44 0.643 -4.000 -7.670 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.755 -5.056 -7.708 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -2.351 -4.668 -9.825 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.780 -3.628 -9.695 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.261 -4.736 -12.275 1.00 0.00 H new ATOM 0 HE2 TYR A 44 1.870 -3.695 -12.150 1.00 0.00 H new ATOM 0 HH TYR A 44 0.762 -4.039 -14.038 1.00 0.00 H new ATOM 753 N MET A 45 -2.957 -2.816 -5.867 1.00 0.00 N ATOM 754 CA MET A 45 -3.596 -3.024 -4.571 1.00 0.00 C ATOM 755 C MET A 45 -4.173 -4.437 -4.441 1.00 0.00 C ATOM 756 O MET A 45 -5.205 -4.643 -3.803 1.00 0.00 O ATOM 757 CB MET A 45 -4.694 -1.975 -4.357 1.00 0.00 C ATOM 758 CG MET A 45 -5.814 -2.016 -5.387 1.00 0.00 C ATOM 759 SD MET A 45 -7.085 -0.775 -5.075 1.00 0.00 S ATOM 760 CE MET A 45 -7.659 -1.277 -3.456 1.00 0.00 C ATOM 0 H MET A 45 -3.518 -2.276 -6.525 1.00 0.00 H new ATOM 0 HA MET A 45 -2.834 -2.912 -3.799 1.00 0.00 H new ATOM 0 HB2 MET A 45 -5.124 -2.114 -3.365 1.00 0.00 H new ATOM 0 HB3 MET A 45 -4.240 -0.984 -4.371 1.00 0.00 H new ATOM 0 HG2 MET A 45 -5.395 -1.860 -6.381 1.00 0.00 H new ATOM 0 HG3 MET A 45 -6.269 -3.006 -5.385 1.00 0.00 H new ATOM 0 HE1 MET A 45 -8.736 -1.126 -3.389 1.00 0.00 H new ATOM 0 HE2 MET A 45 -7.430 -2.331 -3.299 1.00 0.00 H new ATOM 0 HE3 MET A 45 -7.161 -0.680 -2.692 1.00 0.00 H new ATOM 770 N LEU A 46 -3.486 -5.410 -5.018 1.00 0.00 N ATOM 771 CA LEU A 46 -3.914 -6.794 -4.941 1.00 0.00 C ATOM 772 C LEU A 46 -3.535 -7.365 -3.581 1.00 0.00 C ATOM 773 O LEU A 46 -2.369 -7.332 -3.205 1.00 0.00 O ATOM 774 CB LEU A 46 -3.271 -7.611 -6.062 1.00 0.00 C ATOM 775 CG LEU A 46 -3.640 -7.172 -7.484 1.00 0.00 C ATOM 776 CD1 LEU A 46 -2.945 -8.050 -8.509 1.00 0.00 C ATOM 777 CD2 LEU A 46 -5.147 -7.215 -7.681 1.00 0.00 C ATOM 0 H LEU A 46 -2.626 -5.264 -5.547 1.00 0.00 H new ATOM 0 HA LEU A 46 -4.996 -6.844 -5.061 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.188 -7.559 -5.952 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -3.554 -8.656 -5.937 1.00 0.00 H new ATOM 0 HG LEU A 46 -3.303 -6.145 -7.625 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -3.218 -7.724 -9.513 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -1.865 -7.971 -8.383 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.252 -9.086 -8.368 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.390 -6.900 -8.696 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.506 -8.232 -7.520 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -5.626 -6.544 -6.968 1.00 0.00 H new ATOM 789 N GLU A 47 -4.521 -7.904 -2.869 1.00 0.00 N ATOM 790 CA GLU A 47 -4.361 -8.315 -1.470 1.00 0.00 C ATOM 791 C GLU A 47 -3.160 -9.234 -1.245 1.00 0.00 C ATOM 792 O GLU A 47 -2.519 -9.174 -0.198 1.00 0.00 O ATOM 793 CB GLU A 47 -5.627 -9.015 -0.996 1.00 0.00 C ATOM 794 CG GLU A 47 -6.865 -8.142 -1.065 1.00 0.00 C ATOM 795 CD GLU A 47 -8.119 -8.891 -0.680 1.00 0.00 C ATOM 796 OE1 GLU A 47 -8.413 -9.925 -1.316 1.00 0.00 O ATOM 797 OE2 GLU A 47 -8.806 -8.467 0.273 1.00 0.00 O ATOM 0 H GLU A 47 -5.456 -8.070 -3.243 1.00 0.00 H new ATOM 0 HA GLU A 47 -4.181 -7.407 -0.894 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.787 -9.907 -1.601 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.485 -9.349 0.032 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -6.739 -7.285 -0.404 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.975 -7.751 -2.076 1.00 0.00 H new ATOM 804 N ASN A 48 -2.867 -10.086 -2.218 1.00 0.00 N ATOM 805 CA ASN A 48 -1.745 -11.019 -2.105 1.00 0.00 C ATOM 806 C ASN A 48 -0.416 -10.280 -1.974 1.00 0.00 C ATOM 807 O ASN A 48 0.448 -10.663 -1.185 1.00 0.00 O ATOM 808 CB ASN A 48 -1.700 -11.968 -3.312 1.00 0.00 C ATOM 809 CG ASN A 48 -0.489 -12.890 -3.288 1.00 0.00 C ATOM 810 OD1 ASN A 48 -0.523 -13.963 -2.683 1.00 0.00 O ATOM 811 ND2 ASN A 48 0.584 -12.483 -3.952 1.00 0.00 N ATOM 0 H ASN A 48 -3.386 -10.153 -3.093 1.00 0.00 H new ATOM 0 HA ASN A 48 -1.900 -11.606 -1.200 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -2.609 -12.569 -3.331 1.00 0.00 H new ATOM 0 HB3 ASN A 48 -1.687 -11.381 -4.230 1.00 0.00 H new ATOM 0 HD21 ASN A 48 1.421 -13.065 -3.974 1.00 0.00 H new ATOM 0 HD22 ASN A 48 0.572 -11.588 -4.440 1.00 0.00 H new ATOM 818 N GLU A 49 -0.272 -9.217 -2.739 1.00 0.00 N ATOM 819 CA GLU A 49 0.972 -8.464 -2.777 1.00 0.00 C ATOM 820 C GLU A 49 0.904 -7.258 -1.845 1.00 0.00 C ATOM 821 O GLU A 49 1.921 -6.816 -1.310 1.00 0.00 O ATOM 822 CB GLU A 49 1.277 -8.032 -4.211 1.00 0.00 C ATOM 823 CG GLU A 49 1.473 -9.206 -5.156 1.00 0.00 C ATOM 824 CD GLU A 49 1.844 -8.782 -6.561 1.00 0.00 C ATOM 825 OE1 GLU A 49 3.051 -8.631 -6.845 1.00 0.00 O ATOM 826 OE2 GLU A 49 0.933 -8.615 -7.395 1.00 0.00 O ATOM 0 H GLU A 49 -1.004 -8.851 -3.347 1.00 0.00 H new ATOM 0 HA GLU A 49 1.781 -9.106 -2.429 1.00 0.00 H new ATOM 0 HB2 GLU A 49 0.461 -7.409 -4.578 1.00 0.00 H new ATOM 0 HB3 GLU A 49 2.176 -7.415 -4.215 1.00 0.00 H new ATOM 0 HG2 GLU A 49 2.254 -9.856 -4.761 1.00 0.00 H new ATOM 0 HG3 GLU A 49 0.556 -9.794 -5.191 1.00 0.00 H new ATOM 833 N ALA A 50 -0.298 -6.725 -1.658 1.00 0.00 N ATOM 834 CA ALA A 50 -0.519 -5.667 -0.686 1.00 0.00 C ATOM 835 C ALA A 50 -0.182 -6.175 0.705 1.00 0.00 C ATOM 836 O ALA A 50 -0.582 -7.274 1.085 1.00 0.00 O ATOM 837 CB ALA A 50 -1.959 -5.182 -0.744 1.00 0.00 C ATOM 0 H ALA A 50 -1.134 -7.010 -2.169 1.00 0.00 H new ATOM 0 HA ALA A 50 0.131 -4.824 -0.923 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -2.106 -4.390 -0.010 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -2.173 -4.797 -1.741 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -2.631 -6.011 -0.523 1.00 0.00 H new ATOM 843 N ARG A 51 0.566 -5.387 1.454 1.00 0.00 N ATOM 844 CA ARG A 51 1.076 -5.812 2.741 1.00 0.00 C ATOM 845 C ARG A 51 0.462 -5.006 3.882 1.00 0.00 C ATOM 846 O ARG A 51 0.977 -3.951 4.243 1.00 0.00 O ATOM 847 CB ARG A 51 2.598 -5.702 2.764 1.00 0.00 C ATOM 848 CG ARG A 51 3.313 -6.648 1.803 1.00 0.00 C ATOM 849 CD ARG A 51 3.105 -8.117 2.160 1.00 0.00 C ATOM 850 NE ARG A 51 1.730 -8.558 1.931 1.00 0.00 N ATOM 851 CZ ARG A 51 1.206 -9.673 2.432 1.00 0.00 C ATOM 852 NH1 ARG A 51 1.950 -10.503 3.149 1.00 0.00 N ATOM 853 NH2 ARG A 51 -0.071 -9.956 2.214 1.00 0.00 N ATOM 0 H ARG A 51 0.835 -4.440 1.188 1.00 0.00 H new ATOM 0 HA ARG A 51 0.793 -6.854 2.888 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.880 -4.677 2.523 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.949 -5.899 3.777 1.00 0.00 H new ATOM 0 HG2 ARG A 51 2.953 -6.470 0.790 1.00 0.00 H new ATOM 0 HG3 ARG A 51 4.380 -6.425 1.806 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.784 -8.731 1.568 1.00 0.00 H new ATOM 0 HD3 ARG A 51 3.364 -8.274 3.207 1.00 0.00 H new ATOM 0 HE ARG A 51 1.133 -7.971 1.348 1.00 0.00 H new ATOM 0 HH11 ARG A 51 2.932 -10.289 3.320 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.540 -11.356 3.530 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -0.648 -9.320 1.664 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -0.477 -10.810 2.597 1.00 0.00 H new ATOM 867 N PRO A 52 -0.681 -5.461 4.424 1.00 0.00 N ATOM 868 CA PRO A 52 -1.337 -4.799 5.556 1.00 0.00 C ATOM 869 C PRO A 52 -0.403 -4.681 6.755 1.00 0.00 C ATOM 870 O PRO A 52 0.416 -5.569 7.012 1.00 0.00 O ATOM 871 CB PRO A 52 -2.517 -5.717 5.887 1.00 0.00 C ATOM 872 CG PRO A 52 -2.752 -6.509 4.647 1.00 0.00 C ATOM 873 CD PRO A 52 -1.411 -6.663 3.993 1.00 0.00 C ATOM 0 HA PRO A 52 -1.640 -3.780 5.315 1.00 0.00 H new ATOM 0 HB2 PRO A 52 -2.287 -6.366 6.732 1.00 0.00 H new ATOM 0 HB3 PRO A 52 -3.401 -5.140 6.160 1.00 0.00 H new ATOM 0 HG2 PRO A 52 -3.185 -7.481 4.882 1.00 0.00 H new ATOM 0 HG3 PRO A 52 -3.452 -5.999 3.985 1.00 0.00 H new ATOM 0 HD2 PRO A 52 -0.909 -7.575 4.316 1.00 0.00 H new ATOM 0 HD3 PRO A 52 -1.497 -6.713 2.908 1.00 0.00 H new ATOM 881 N LEU A 53 -0.540 -3.592 7.488 1.00 0.00 N ATOM 882 CA LEU A 53 0.335 -3.294 8.588 1.00 0.00 C ATOM 883 C LEU A 53 -0.057 -4.098 9.801 1.00 0.00 C ATOM 884 O LEU A 53 -1.243 -4.256 10.106 1.00 0.00 O ATOM 885 CB LEU A 53 0.274 -1.808 8.927 1.00 0.00 C ATOM 886 CG LEU A 53 0.921 -0.859 7.918 1.00 0.00 C ATOM 887 CD1 LEU A 53 0.113 -0.768 6.635 1.00 0.00 C ATOM 888 CD2 LEU A 53 1.097 0.518 8.534 1.00 0.00 C ATOM 0 H LEU A 53 -1.265 -2.892 7.331 1.00 0.00 H new ATOM 0 HA LEU A 53 1.352 -3.555 8.295 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -0.772 -1.525 9.041 1.00 0.00 H new ATOM 0 HB3 LEU A 53 0.752 -1.657 9.895 1.00 0.00 H new ATOM 0 HG LEU A 53 1.900 -1.263 7.660 1.00 0.00 H new ATOM 0 HD11 LEU A 53 0.605 -0.084 5.943 1.00 0.00 H new ATOM 0 HD12 LEU A 53 0.041 -1.756 6.180 1.00 0.00 H new ATOM 0 HD13 LEU A 53 -0.887 -0.399 6.860 1.00 0.00 H new ATOM 0 HD21 LEU A 53 1.559 1.186 7.807 1.00 0.00 H new ATOM 0 HD22 LEU A 53 0.124 0.914 8.824 1.00 0.00 H new ATOM 0 HD23 LEU A 53 1.735 0.444 9.415 1.00 0.00 H new ATOM 900 N SER A 54 0.936 -4.612 10.485 1.00 0.00 N ATOM 901 CA SER A 54 0.703 -5.307 11.722 1.00 0.00 C ATOM 902 C SER A 54 0.663 -4.289 12.858 1.00 0.00 C ATOM 903 O SER A 54 1.038 -3.138 12.654 1.00 0.00 O ATOM 904 CB SER A 54 1.797 -6.336 11.953 1.00 0.00 C ATOM 905 OG SER A 54 2.135 -6.987 10.738 1.00 0.00 O ATOM 0 H SER A 54 1.915 -4.561 10.203 1.00 0.00 H new ATOM 0 HA SER A 54 -0.250 -5.834 11.682 1.00 0.00 H new ATOM 0 HB2 SER A 54 2.679 -5.850 12.369 1.00 0.00 H new ATOM 0 HB3 SER A 54 1.463 -7.071 12.685 1.00 0.00 H new ATOM 0 HG SER A 54 2.676 -6.386 10.184 1.00 0.00 H new ATOM 911 N GLU A 55 0.224 -4.702 14.041 1.00 0.00 N ATOM 912 CA GLU A 55 0.100 -3.802 15.174 1.00 0.00 C ATOM 913 C GLU A 55 1.428 -3.129 15.509 1.00 0.00 C ATOM 914 O GLU A 55 1.490 -1.915 15.697 1.00 0.00 O ATOM 915 CB GLU A 55 -0.395 -4.592 16.374 1.00 0.00 C ATOM 916 CG GLU A 55 -1.897 -4.813 16.406 1.00 0.00 C ATOM 917 CD GLU A 55 -2.331 -5.608 17.619 1.00 0.00 C ATOM 918 OE1 GLU A 55 -2.134 -6.840 17.628 1.00 0.00 O ATOM 919 OE2 GLU A 55 -2.858 -5.009 18.579 1.00 0.00 O ATOM 0 H GLU A 55 -0.053 -5.664 14.238 1.00 0.00 H new ATOM 0 HA GLU A 55 -0.609 -3.015 14.916 1.00 0.00 H new ATOM 0 HB2 GLU A 55 0.103 -5.562 16.385 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -0.098 -4.071 17.284 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -2.405 -3.849 16.405 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -2.205 -5.337 15.501 1.00 0.00 H new ATOM 926 N GLU A 56 2.481 -3.927 15.584 1.00 0.00 N ATOM 927 CA GLU A 56 3.809 -3.432 15.866 1.00 0.00 C ATOM 928 C GLU A 56 4.248 -2.426 14.807 1.00 0.00 C ATOM 929 O GLU A 56 4.829 -1.394 15.124 1.00 0.00 O ATOM 930 CB GLU A 56 4.763 -4.616 15.917 1.00 0.00 C ATOM 931 CG GLU A 56 5.516 -4.752 17.228 1.00 0.00 C ATOM 932 CD GLU A 56 6.422 -3.573 17.518 1.00 0.00 C ATOM 933 OE1 GLU A 56 7.581 -3.583 17.053 1.00 0.00 O ATOM 934 OE2 GLU A 56 5.991 -2.642 18.230 1.00 0.00 O ATOM 0 H GLU A 56 2.434 -4.937 15.450 1.00 0.00 H new ATOM 0 HA GLU A 56 3.814 -2.915 16.826 1.00 0.00 H new ATOM 0 HB2 GLU A 56 4.198 -5.531 15.739 1.00 0.00 H new ATOM 0 HB3 GLU A 56 5.484 -4.523 15.105 1.00 0.00 H new ATOM 0 HG2 GLU A 56 4.799 -4.861 18.042 1.00 0.00 H new ATOM 0 HG3 GLU A 56 6.113 -5.664 17.205 1.00 0.00 H new ATOM 941 N GLU A 57 3.959 -2.735 13.548 1.00 0.00 N ATOM 942 CA GLU A 57 4.227 -1.825 12.449 1.00 0.00 C ATOM 943 C GLU A 57 3.424 -0.541 12.596 1.00 0.00 C ATOM 944 O GLU A 57 3.973 0.553 12.525 1.00 0.00 O ATOM 945 CB GLU A 57 3.891 -2.509 11.133 1.00 0.00 C ATOM 946 CG GLU A 57 4.794 -3.692 10.835 1.00 0.00 C ATOM 947 CD GLU A 57 4.492 -4.350 9.509 1.00 0.00 C ATOM 948 OE1 GLU A 57 3.444 -5.024 9.405 1.00 0.00 O ATOM 949 OE2 GLU A 57 5.311 -4.213 8.572 1.00 0.00 O ATOM 0 H GLU A 57 3.535 -3.619 13.265 1.00 0.00 H new ATOM 0 HA GLU A 57 5.285 -1.561 12.462 1.00 0.00 H new ATOM 0 HB2 GLU A 57 2.855 -2.847 11.159 1.00 0.00 H new ATOM 0 HB3 GLU A 57 3.970 -1.785 10.322 1.00 0.00 H new ATOM 0 HG2 GLU A 57 5.832 -3.359 10.840 1.00 0.00 H new ATOM 0 HG3 GLU A 57 4.691 -4.429 11.631 1.00 0.00 H new ATOM 956 N LEU A 58 2.121 -0.701 12.790 1.00 0.00 N ATOM 957 CA LEU A 58 1.208 0.412 13.038 1.00 0.00 C ATOM 958 C LEU A 58 1.755 1.342 14.109 1.00 0.00 C ATOM 959 O LEU A 58 1.874 2.551 13.902 1.00 0.00 O ATOM 960 CB LEU A 58 -0.149 -0.124 13.488 1.00 0.00 C ATOM 961 CG LEU A 58 -0.956 -0.851 12.418 1.00 0.00 C ATOM 962 CD1 LEU A 58 -2.169 -1.528 13.036 1.00 0.00 C ATOM 963 CD2 LEU A 58 -1.390 0.120 11.328 1.00 0.00 C ATOM 0 H LEU A 58 1.663 -1.612 12.780 1.00 0.00 H new ATOM 0 HA LEU A 58 1.100 0.973 12.110 1.00 0.00 H new ATOM 0 HB2 LEU A 58 0.008 -0.805 14.325 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -0.743 0.710 13.863 1.00 0.00 H new ATOM 0 HG LEU A 58 -0.323 -1.616 11.969 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -2.734 -2.042 12.259 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -1.841 -2.250 13.784 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -2.803 -0.778 13.509 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -1.965 -0.415 10.572 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.007 0.905 11.765 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -0.509 0.566 10.866 1.00 0.00 H new ATOM 975 N LYS A 59 2.078 0.765 15.254 1.00 0.00 N ATOM 976 CA LYS A 59 2.588 1.515 16.376 1.00 0.00 C ATOM 977 C LYS A 59 3.936 2.146 16.047 1.00 0.00 C ATOM 978 O LYS A 59 4.131 3.351 16.214 1.00 0.00 O ATOM 979 CB LYS A 59 2.701 0.573 17.576 1.00 0.00 C ATOM 980 CG LYS A 59 2.748 1.272 18.916 1.00 0.00 C ATOM 981 CD LYS A 59 4.089 1.940 19.161 1.00 0.00 C ATOM 982 CE LYS A 59 4.095 2.746 20.443 1.00 0.00 C ATOM 983 NZ LYS A 59 5.383 3.458 20.628 1.00 0.00 N ATOM 0 H LYS A 59 1.992 -0.237 15.426 1.00 0.00 H new ATOM 0 HA LYS A 59 1.905 2.331 16.612 1.00 0.00 H new ATOM 0 HB2 LYS A 59 1.853 -0.111 17.566 1.00 0.00 H new ATOM 0 HB3 LYS A 59 3.600 -0.032 17.464 1.00 0.00 H new ATOM 0 HG2 LYS A 59 1.956 2.020 18.963 1.00 0.00 H new ATOM 0 HG3 LYS A 59 2.552 0.550 19.709 1.00 0.00 H new ATOM 0 HD2 LYS A 59 4.869 1.180 19.207 1.00 0.00 H new ATOM 0 HD3 LYS A 59 4.328 2.593 18.321 1.00 0.00 H new ATOM 0 HE2 LYS A 59 3.278 3.467 20.425 1.00 0.00 H new ATOM 0 HE3 LYS A 59 3.918 2.085 21.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 5.355 4.001 21.515 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 6.159 2.767 20.669 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 5.539 4.106 19.830 1.00 0.00 H new