USER MOD reduce.3.24.130724 H: found=0, std=0, add=527, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 521 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 53 CYS SG : rot 124:sc= 1.13 USER MOD Set 1.2: A 61 CYS SG : rot -164:sc= 0.873 USER MOD Set 1.3: A 66 CYS SG : rot 134:sc= 1.26 USER MOD Set 1.4: A 70 HIS : no HE2:sc= 0.298 K(o=3.6,f=2.5) USER MOD Set 2.1: A 44 GLN : amide:sc= 1.97 K(o=3,f=-2) USER MOD Set 2.2: A 67 LYS NZ :NH3+ 153:sc= 1.06 (180deg=0) USER MOD Set 3.1: A 40 SER OG : rot -75:sc= 1.45 USER MOD Set 3.2: A 43 CYS SG : rot 180:sc= 1.34 USER MOD Set 4.1: A 19 CYS SG : rot 133:sc= 1.1 USER MOD Set 4.2: A 27 CYS SG : rot 115:sc= 1.1 USER MOD Set 4.3: A 34 CYS SG : rot 133:sc= 2.9 USER MOD Set 4.4: A 38 HIS : no HE2:sc= -0.744 K(o=4.3,f=2) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= -0.0232 X(o=-0.023,f=-0.045) USER MOD Single : A 26 THR OG1 : rot -37:sc= 0.346 USER MOD Single : A 28 SER OG : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0042 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 47 ASN : amide:sc= -0.121 X(o=-0.12,f=-0.62) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 TYR OH : rot 180:sc= 0 USER MOD Single : A 74 HIS : no HE2:sc= 1.12 K(o=1.1,f=-3.4!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 GLN : amide:sc= -0.0306 X(o=-0.031,f=-0.031) USER MOD Single : A 82 ASN : amide:sc= 1.06 K(o=1.1,f=0) USER MOD ----------------------------------------------------------------- ATOM 190 N TRP A 13 -18.720 -0.315 -15.547 1.00 0.00 N ATOM 191 CA TRP A 13 -18.969 -1.144 -16.737 1.00 0.00 C ATOM 192 C TRP A 13 -18.229 -2.497 -16.709 1.00 0.00 C ATOM 193 O TRP A 13 -18.651 -3.451 -17.362 1.00 0.00 O ATOM 194 CB TRP A 13 -18.639 -0.318 -17.997 1.00 0.00 C ATOM 195 CG TRP A 13 -17.412 -0.670 -18.788 1.00 0.00 C ATOM 196 CD1 TRP A 13 -17.333 -1.709 -19.649 1.00 0.00 C ATOM 197 CD2 TRP A 13 -16.122 0.018 -18.887 1.00 0.00 C ATOM 198 NE1 TRP A 13 -16.119 -1.697 -20.298 1.00 0.00 N ATOM 199 CE2 TRP A 13 -15.335 -0.645 -19.879 1.00 0.00 C ATOM 200 CE3 TRP A 13 -15.530 1.129 -18.245 1.00 0.00 C ATOM 201 CZ2 TRP A 13 -14.049 -0.216 -20.238 1.00 0.00 C ATOM 202 CZ3 TRP A 13 -14.238 1.568 -18.599 1.00 0.00 C ATOM 203 CH2 TRP A 13 -13.499 0.902 -19.593 1.00 0.00 C ATOM 0 HA TRP A 13 -20.025 -1.415 -16.749 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -19.495 -0.383 -18.668 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -18.549 0.725 -17.694 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -18.110 -2.443 -19.805 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -15.836 -2.381 -21.000 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -16.075 1.649 -17.472 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -13.490 -0.739 -21.000 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -13.811 2.426 -18.101 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -12.512 1.250 -19.859 1.00 0.00 H new ATOM 214 N LEU A 14 -17.132 -2.576 -15.945 1.00 0.00 N ATOM 215 CA LEU A 14 -16.257 -3.745 -15.809 1.00 0.00 C ATOM 216 C LEU A 14 -16.631 -4.687 -14.657 1.00 0.00 C ATOM 217 O LEU A 14 -16.129 -5.810 -14.621 1.00 0.00 O ATOM 218 CB LEU A 14 -14.811 -3.243 -15.613 1.00 0.00 C ATOM 219 CG LEU A 14 -14.245 -2.464 -16.813 1.00 0.00 C ATOM 220 CD1 LEU A 14 -12.894 -1.866 -16.442 1.00 0.00 C ATOM 221 CD2 LEU A 14 -14.034 -3.346 -18.044 1.00 0.00 C ATOM 0 H LEU A 14 -16.816 -1.789 -15.379 1.00 0.00 H new ATOM 0 HA LEU A 14 -16.369 -4.334 -16.719 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -14.777 -2.604 -14.731 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -14.166 -4.098 -15.412 1.00 0.00 H new ATOM 0 HG LEU A 14 -14.977 -1.694 -17.056 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -12.494 -1.314 -17.293 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -13.015 -1.190 -15.596 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -12.204 -2.665 -16.171 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -13.633 -2.743 -18.859 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -13.332 -4.144 -17.804 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -14.986 -3.780 -18.348 1.00 0.00 H new ATOM 233 N THR A 15 -17.474 -4.266 -13.710 1.00 0.00 N ATOM 234 CA THR A 15 -17.877 -5.094 -12.558 1.00 0.00 C ATOM 235 C THR A 15 -18.900 -6.164 -12.985 1.00 0.00 C ATOM 236 O THR A 15 -20.115 -6.015 -12.821 1.00 0.00 O ATOM 237 CB THR A 15 -18.343 -4.260 -11.356 1.00 0.00 C ATOM 238 OG1 THR A 15 -17.440 -3.211 -11.072 1.00 0.00 O ATOM 239 CG2 THR A 15 -18.445 -5.069 -10.064 1.00 0.00 C ATOM 0 H THR A 15 -17.900 -3.339 -13.716 1.00 0.00 H new ATOM 0 HA THR A 15 -16.989 -5.619 -12.206 1.00 0.00 H new ATOM 0 HB THR A 15 -19.325 -3.890 -11.652 1.00 0.00 H new ATOM 0 HG1 THR A 15 -17.766 -2.698 -10.303 1.00 0.00 H new ATOM 0 HG21 THR A 15 -18.779 -4.421 -9.254 1.00 0.00 H new ATOM 0 HG22 THR A 15 -19.161 -5.880 -10.198 1.00 0.00 H new ATOM 0 HG23 THR A 15 -17.468 -5.484 -9.817 1.00 0.00 H new ATOM 247 N LEU A 16 -18.388 -7.234 -13.592 1.00 0.00 N ATOM 248 CA LEU A 16 -19.105 -8.371 -14.172 1.00 0.00 C ATOM 249 C LEU A 16 -19.635 -9.329 -13.092 1.00 0.00 C ATOM 250 O LEU A 16 -18.971 -9.589 -12.093 1.00 0.00 O ATOM 251 CB LEU A 16 -18.082 -9.088 -15.080 1.00 0.00 C ATOM 252 CG LEU A 16 -18.610 -10.039 -16.167 1.00 0.00 C ATOM 253 CD1 LEU A 16 -19.762 -9.463 -16.993 1.00 0.00 C ATOM 254 CD2 LEU A 16 -17.440 -10.318 -17.118 1.00 0.00 C ATOM 0 H LEU A 16 -17.379 -7.337 -13.700 1.00 0.00 H new ATOM 0 HA LEU A 16 -19.981 -8.034 -14.726 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -17.481 -8.323 -15.571 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -17.410 -9.658 -14.438 1.00 0.00 H new ATOM 0 HG LEU A 16 -18.997 -10.929 -15.671 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -20.077 -10.194 -17.737 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -20.600 -9.230 -16.336 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -19.431 -8.554 -17.495 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -17.767 -10.992 -17.910 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -17.097 -9.381 -17.557 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -16.623 -10.780 -16.564 1.00 0.00 H new ATOM 266 N GLU A 17 -20.834 -9.876 -13.278 1.00 0.00 N ATOM 267 CA GLU A 17 -21.419 -10.828 -12.320 1.00 0.00 C ATOM 268 C GLU A 17 -20.720 -12.196 -12.351 1.00 0.00 C ATOM 269 O GLU A 17 -20.232 -12.627 -13.399 1.00 0.00 O ATOM 270 CB GLU A 17 -22.903 -11.046 -12.627 1.00 0.00 C ATOM 271 CG GLU A 17 -23.749 -9.780 -12.462 1.00 0.00 C ATOM 272 CD GLU A 17 -25.234 -10.056 -12.751 1.00 0.00 C ATOM 273 OE1 GLU A 17 -25.865 -9.288 -13.516 1.00 0.00 O ATOM 274 OE2 GLU A 17 -25.780 -11.043 -12.200 1.00 0.00 O ATOM 0 H GLU A 17 -21.426 -9.679 -14.085 1.00 0.00 H new ATOM 0 HA GLU A 17 -21.286 -10.390 -11.331 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -23.005 -11.412 -13.649 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -23.292 -11.823 -11.969 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -23.639 -9.397 -11.447 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -23.383 -9.006 -13.136 1.00 0.00 H new ATOM 281 N VAL A 18 -20.722 -12.908 -11.217 1.00 0.00 N ATOM 282 CA VAL A 18 -20.195 -14.285 -11.128 1.00 0.00 C ATOM 283 C VAL A 18 -21.272 -15.318 -11.501 1.00 0.00 C ATOM 284 O VAL A 18 -22.474 -15.049 -11.371 1.00 0.00 O ATOM 285 CB VAL A 18 -19.634 -14.619 -9.730 1.00 0.00 C ATOM 286 CG1 VAL A 18 -18.574 -13.603 -9.300 1.00 0.00 C ATOM 287 CG2 VAL A 18 -20.702 -14.712 -8.634 1.00 0.00 C ATOM 0 H VAL A 18 -21.087 -12.551 -10.334 1.00 0.00 H new ATOM 0 HA VAL A 18 -19.374 -14.337 -11.843 1.00 0.00 H new ATOM 0 HB VAL A 18 -19.191 -15.609 -9.838 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -18.198 -13.866 -8.311 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -17.751 -13.611 -10.015 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -19.016 -12.607 -9.267 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -20.227 -14.950 -7.682 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -21.223 -13.758 -8.551 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -21.417 -15.495 -8.888 1.00 0.00 H new ATOM 297 N CYS A 19 -20.856 -16.515 -11.930 1.00 0.00 N ATOM 298 CA CYS A 19 -21.793 -17.597 -12.244 1.00 0.00 C ATOM 299 C CYS A 19 -22.336 -18.238 -10.953 1.00 0.00 C ATOM 300 O CYS A 19 -21.588 -18.564 -10.025 1.00 0.00 O ATOM 301 CB CYS A 19 -21.117 -18.627 -13.146 1.00 0.00 C ATOM 302 SG CYS A 19 -22.284 -19.934 -13.655 1.00 0.00 S ATOM 0 H CYS A 19 -19.875 -16.758 -12.067 1.00 0.00 H new ATOM 0 HA CYS A 19 -22.646 -17.185 -12.784 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -20.716 -18.131 -14.030 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -20.273 -19.075 -12.621 1.00 0.00 H new ATOM 0 HG CYS A 19 -22.188 -20.126 -14.937 1.00 0.00 H new ATOM 307 N ARG A 20 -23.659 -18.412 -10.887 1.00 0.00 N ATOM 308 CA ARG A 20 -24.374 -18.963 -9.723 1.00 0.00 C ATOM 309 C ARG A 20 -24.050 -20.430 -9.459 1.00 0.00 C ATOM 310 O ARG A 20 -24.101 -20.868 -8.314 1.00 0.00 O ATOM 311 CB ARG A 20 -25.892 -18.810 -9.895 1.00 0.00 C ATOM 312 CG ARG A 20 -26.401 -17.356 -9.919 1.00 0.00 C ATOM 313 CD ARG A 20 -26.079 -16.603 -11.220 1.00 0.00 C ATOM 314 NE ARG A 20 -26.922 -15.405 -11.371 1.00 0.00 N ATOM 315 CZ ARG A 20 -26.527 -14.164 -11.596 1.00 0.00 C ATOM 316 NH1 ARG A 20 -27.400 -13.215 -11.746 1.00 0.00 N ATOM 317 NH2 ARG A 20 -25.286 -13.785 -11.678 1.00 0.00 N ATOM 0 H ARG A 20 -24.281 -18.169 -11.658 1.00 0.00 H new ATOM 0 HA ARG A 20 -24.031 -18.388 -8.863 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -26.188 -19.298 -10.823 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -26.390 -19.340 -9.083 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -27.481 -17.357 -9.770 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -25.964 -16.815 -9.080 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -25.028 -16.313 -11.224 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -26.230 -17.265 -12.072 1.00 0.00 H new ATOM 0 HE ARG A 20 -27.929 -15.550 -11.293 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -28.397 -13.425 -11.690 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -27.089 -12.259 -11.919 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -24.536 -14.467 -11.566 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -25.062 -12.806 -11.855 1.00 0.00 H new ATOM 331 N GLU A 21 -23.696 -21.192 -10.486 1.00 0.00 N ATOM 332 CA GLU A 21 -23.337 -22.604 -10.333 1.00 0.00 C ATOM 333 C GLU A 21 -21.863 -22.741 -9.944 1.00 0.00 C ATOM 334 O GLU A 21 -21.509 -23.566 -9.099 1.00 0.00 O ATOM 335 CB GLU A 21 -23.657 -23.362 -11.622 1.00 0.00 C ATOM 336 CG GLU A 21 -25.144 -23.296 -12.017 1.00 0.00 C ATOM 337 CD GLU A 21 -26.068 -23.939 -10.961 1.00 0.00 C ATOM 338 OE1 GLU A 21 -26.354 -23.297 -9.919 1.00 0.00 O ATOM 339 OE2 GLU A 21 -26.528 -25.088 -11.170 1.00 0.00 O ATOM 0 H GLU A 21 -23.648 -20.854 -11.447 1.00 0.00 H new ATOM 0 HA GLU A 21 -23.927 -23.043 -9.529 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -23.055 -22.954 -12.434 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -23.366 -24.406 -11.503 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -25.432 -22.255 -12.161 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -25.285 -23.800 -12.973 1.00 0.00 H new ATOM 346 N PHE A 22 -21.003 -21.873 -10.479 1.00 0.00 N ATOM 347 CA PHE A 22 -19.592 -21.791 -10.101 1.00 0.00 C ATOM 348 C PHE A 22 -19.444 -21.402 -8.620 1.00 0.00 C ATOM 349 O PHE A 22 -18.531 -21.877 -7.943 1.00 0.00 O ATOM 350 CB PHE A 22 -18.914 -20.780 -11.025 1.00 0.00 C ATOM 351 CG PHE A 22 -17.409 -20.698 -10.907 1.00 0.00 C ATOM 352 CD1 PHE A 22 -16.599 -21.586 -11.641 1.00 0.00 C ATOM 353 CD2 PHE A 22 -16.815 -19.718 -10.091 1.00 0.00 C ATOM 354 CE1 PHE A 22 -15.198 -21.508 -11.540 1.00 0.00 C ATOM 355 CE2 PHE A 22 -15.417 -19.635 -9.999 1.00 0.00 C ATOM 356 CZ PHE A 22 -14.607 -20.533 -10.718 1.00 0.00 C ATOM 0 H PHE A 22 -21.271 -21.199 -11.196 1.00 0.00 H new ATOM 0 HA PHE A 22 -19.111 -22.763 -10.214 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -19.167 -21.029 -12.056 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -19.331 -19.793 -10.824 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -17.054 -22.327 -12.282 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -17.435 -19.030 -9.535 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -14.577 -22.197 -12.094 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -14.962 -18.880 -9.375 1.00 0.00 H new ATOM 0 HZ PHE A 22 -13.532 -20.473 -10.638 1.00 0.00 H new ATOM 366 N GLN A 23 -20.388 -20.610 -8.084 1.00 0.00 N ATOM 367 CA GLN A 23 -20.437 -20.233 -6.661 1.00 0.00 C ATOM 368 C GLN A 23 -20.626 -21.440 -5.714 1.00 0.00 C ATOM 369 O GLN A 23 -20.323 -21.341 -4.523 1.00 0.00 O ATOM 370 CB GLN A 23 -21.544 -19.188 -6.418 1.00 0.00 C ATOM 371 CG GLN A 23 -21.152 -17.765 -6.840 1.00 0.00 C ATOM 372 CD GLN A 23 -20.178 -17.114 -5.859 1.00 0.00 C ATOM 373 OE1 GLN A 23 -18.965 -17.209 -5.986 1.00 0.00 O ATOM 374 NE2 GLN A 23 -20.663 -16.432 -4.842 1.00 0.00 N ATOM 0 H GLN A 23 -21.148 -20.209 -8.634 1.00 0.00 H new ATOM 0 HA GLN A 23 -19.465 -19.801 -6.425 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -22.439 -19.486 -6.964 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -21.803 -19.185 -5.359 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -20.700 -17.795 -7.831 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -22.050 -17.152 -6.917 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -21.672 -16.343 -4.722 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -20.030 -15.992 -4.174 1.00 0.00 H new ATOM 383 N ARG A 24 -21.084 -22.587 -6.241 1.00 0.00 N ATOM 384 CA ARG A 24 -21.258 -23.870 -5.531 1.00 0.00 C ATOM 385 C ARG A 24 -20.373 -24.979 -6.134 1.00 0.00 C ATOM 386 O ARG A 24 -20.560 -26.158 -5.830 1.00 0.00 O ATOM 387 CB ARG A 24 -22.752 -24.268 -5.498 1.00 0.00 C ATOM 388 CG ARG A 24 -23.630 -23.393 -4.584 1.00 0.00 C ATOM 389 CD ARG A 24 -24.278 -22.175 -5.265 1.00 0.00 C ATOM 390 NE ARG A 24 -25.228 -22.544 -6.336 1.00 0.00 N ATOM 391 CZ ARG A 24 -26.450 -23.031 -6.214 1.00 0.00 C ATOM 392 NH1 ARG A 24 -27.000 -23.255 -5.053 1.00 0.00 N ATOM 393 NH2 ARG A 24 -27.160 -23.309 -7.268 1.00 0.00 N ATOM 0 H ARG A 24 -21.357 -22.651 -7.222 1.00 0.00 H new ATOM 0 HA ARG A 24 -20.926 -23.739 -4.501 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -23.149 -24.223 -6.512 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -22.831 -25.305 -5.171 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -24.419 -24.015 -4.162 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -23.021 -23.042 -3.751 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -24.800 -21.582 -4.514 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -23.496 -21.542 -5.684 1.00 0.00 H new ATOM 0 HE ARG A 24 -24.898 -22.405 -7.291 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -26.484 -23.053 -4.197 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -27.946 -23.632 -5.001 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -26.774 -23.151 -8.199 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -28.103 -23.685 -7.163 1.00 0.00 H new ATOM 407 N GLY A 25 -19.406 -24.614 -6.986 1.00 0.00 N ATOM 408 CA GLY A 25 -18.480 -25.535 -7.658 1.00 0.00 C ATOM 409 C GLY A 25 -19.175 -26.591 -8.526 1.00 0.00 C ATOM 410 O GLY A 25 -18.733 -27.742 -8.560 1.00 0.00 O ATOM 0 H GLY A 25 -19.241 -23.638 -7.234 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -17.798 -24.958 -8.282 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -17.874 -26.039 -6.905 1.00 0.00 H new ATOM 414 N THR A 26 -20.281 -26.225 -9.188 1.00 0.00 N ATOM 415 CA THR A 26 -21.120 -27.144 -9.984 1.00 0.00 C ATOM 416 C THR A 26 -21.449 -26.651 -11.409 1.00 0.00 C ATOM 417 O THR A 26 -22.330 -27.221 -12.063 1.00 0.00 O ATOM 418 CB THR A 26 -22.356 -27.551 -9.154 1.00 0.00 C ATOM 419 OG1 THR A 26 -23.013 -28.675 -9.705 1.00 0.00 O ATOM 420 CG2 THR A 26 -23.384 -26.437 -8.952 1.00 0.00 C ATOM 0 H THR A 26 -20.628 -25.266 -9.188 1.00 0.00 H new ATOM 0 HA THR A 26 -20.531 -28.039 -10.186 1.00 0.00 H new ATOM 0 HB THR A 26 -21.942 -27.794 -8.175 1.00 0.00 H new ATOM 0 HG1 THR A 26 -22.984 -28.624 -10.683 1.00 0.00 H new ATOM 0 HG21 THR A 26 -24.217 -26.814 -8.358 1.00 0.00 H new ATOM 0 HG22 THR A 26 -22.917 -25.601 -8.432 1.00 0.00 H new ATOM 0 HG23 THR A 26 -23.752 -26.101 -9.922 1.00 0.00 H new ATOM 428 N CYS A 27 -20.734 -25.638 -11.926 1.00 0.00 N ATOM 429 CA CYS A 27 -20.878 -25.193 -13.322 1.00 0.00 C ATOM 430 C CYS A 27 -20.349 -26.284 -14.298 1.00 0.00 C ATOM 431 O CYS A 27 -19.711 -27.262 -13.883 1.00 0.00 O ATOM 432 CB CYS A 27 -20.208 -23.813 -13.515 1.00 0.00 C ATOM 433 SG CYS A 27 -20.787 -23.012 -15.054 1.00 0.00 S ATOM 0 H CYS A 27 -20.045 -25.108 -11.393 1.00 0.00 H new ATOM 0 HA CYS A 27 -21.933 -25.059 -13.560 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -20.432 -23.173 -12.661 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -19.125 -23.932 -13.548 1.00 0.00 H new ATOM 0 HG CYS A 27 -21.454 -21.936 -14.759 1.00 0.00 H new ATOM 438 N SER A 28 -20.603 -26.116 -15.598 1.00 0.00 N ATOM 439 CA SER A 28 -20.258 -27.077 -16.667 1.00 0.00 C ATOM 440 C SER A 28 -19.565 -26.448 -17.887 1.00 0.00 C ATOM 441 O SER A 28 -19.468 -27.085 -18.941 1.00 0.00 O ATOM 442 CB SER A 28 -21.523 -27.833 -17.115 1.00 0.00 C ATOM 443 OG SER A 28 -22.130 -28.534 -16.037 1.00 0.00 O ATOM 0 H SER A 28 -21.070 -25.282 -15.955 1.00 0.00 H new ATOM 0 HA SER A 28 -19.530 -27.762 -16.232 1.00 0.00 H new ATOM 0 HB2 SER A 28 -22.238 -27.127 -17.537 1.00 0.00 H new ATOM 0 HB3 SER A 28 -21.265 -28.537 -17.906 1.00 0.00 H new ATOM 0 HG SER A 28 -22.930 -29.000 -16.359 1.00 0.00 H new ATOM 449 N ARG A 29 -19.091 -25.200 -17.776 1.00 0.00 N ATOM 450 CA ARG A 29 -18.456 -24.428 -18.856 1.00 0.00 C ATOM 451 C ARG A 29 -17.189 -23.696 -18.384 1.00 0.00 C ATOM 452 O ARG A 29 -17.169 -23.195 -17.257 1.00 0.00 O ATOM 453 CB ARG A 29 -19.459 -23.354 -19.304 1.00 0.00 C ATOM 454 CG ARG A 29 -20.696 -23.904 -20.033 1.00 0.00 C ATOM 455 CD ARG A 29 -21.731 -22.794 -20.258 1.00 0.00 C ATOM 456 NE ARG A 29 -22.234 -22.265 -18.974 1.00 0.00 N ATOM 457 CZ ARG A 29 -23.171 -22.755 -18.189 1.00 0.00 C ATOM 458 NH1 ARG A 29 -23.962 -23.732 -18.548 1.00 0.00 N ATOM 459 NH2 ARG A 29 -23.315 -22.251 -17.006 1.00 0.00 N ATOM 0 H ARG A 29 -19.140 -24.680 -16.900 1.00 0.00 H new ATOM 0 HA ARG A 29 -18.179 -25.119 -19.652 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -19.788 -22.794 -18.429 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -18.949 -22.649 -19.961 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -20.400 -24.331 -20.991 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -21.141 -24.710 -19.448 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -21.282 -21.986 -20.836 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -22.563 -23.182 -20.845 1.00 0.00 H new ATOM 0 HE ARG A 29 -21.796 -21.402 -18.651 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -23.868 -24.150 -19.474 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -24.673 -24.076 -17.902 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -22.709 -21.490 -16.699 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -24.034 -22.615 -16.381 1.00 0.00 H new ATOM 473 N PRO A 30 -16.149 -23.563 -19.229 1.00 0.00 N ATOM 474 CA PRO A 30 -14.994 -22.725 -18.909 1.00 0.00 C ATOM 475 C PRO A 30 -15.408 -21.238 -18.931 1.00 0.00 C ATOM 476 O PRO A 30 -16.458 -20.874 -19.472 1.00 0.00 O ATOM 477 CB PRO A 30 -13.960 -23.045 -19.995 1.00 0.00 C ATOM 478 CG PRO A 30 -14.825 -23.409 -21.202 1.00 0.00 C ATOM 479 CD PRO A 30 -16.014 -24.128 -20.565 1.00 0.00 C ATOM 0 HA PRO A 30 -14.589 -22.917 -17.915 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -13.317 -22.190 -20.203 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -13.310 -23.869 -19.702 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -15.138 -22.524 -21.757 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -14.292 -24.052 -21.902 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -16.922 -23.975 -21.148 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -15.842 -25.203 -20.519 1.00 0.00 H new ATOM 487 N ASP A 31 -14.568 -20.353 -18.383 1.00 0.00 N ATOM 488 CA ASP A 31 -14.809 -18.895 -18.379 1.00 0.00 C ATOM 489 C ASP A 31 -15.064 -18.334 -19.798 1.00 0.00 C ATOM 490 O ASP A 31 -15.840 -17.397 -19.983 1.00 0.00 O ATOM 491 CB ASP A 31 -13.602 -18.204 -17.730 1.00 0.00 C ATOM 492 CG ASP A 31 -13.819 -16.694 -17.524 1.00 0.00 C ATOM 493 OD1 ASP A 31 -14.668 -16.310 -16.684 1.00 0.00 O ATOM 494 OD2 ASP A 31 -13.102 -15.901 -18.177 1.00 0.00 O ATOM 0 H ASP A 31 -13.697 -20.623 -17.926 1.00 0.00 H new ATOM 0 HA ASP A 31 -15.714 -18.695 -17.806 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -13.396 -18.672 -16.767 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -12.722 -18.358 -18.354 1.00 0.00 H new ATOM 499 N THR A 32 -14.445 -18.950 -20.811 1.00 0.00 N ATOM 500 CA THR A 32 -14.576 -18.629 -22.244 1.00 0.00 C ATOM 501 C THR A 32 -15.935 -18.982 -22.871 1.00 0.00 C ATOM 502 O THR A 32 -16.205 -18.553 -23.994 1.00 0.00 O ATOM 503 CB THR A 32 -13.460 -19.311 -23.054 1.00 0.00 C ATOM 504 OG1 THR A 32 -13.382 -20.684 -22.729 1.00 0.00 O ATOM 505 CG2 THR A 32 -12.093 -18.691 -22.752 1.00 0.00 C ATOM 0 H THR A 32 -13.805 -19.727 -20.649 1.00 0.00 H new ATOM 0 HA THR A 32 -14.491 -17.543 -22.290 1.00 0.00 H new ATOM 0 HB THR A 32 -13.706 -19.175 -24.107 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.669 -21.104 -23.254 1.00 0.00 H new ATOM 0 HG21 THR A 32 -11.327 -19.196 -23.340 1.00 0.00 H new ATOM 0 HG22 THR A 32 -12.109 -17.632 -23.009 1.00 0.00 H new ATOM 0 HG23 THR A 32 -11.869 -18.804 -21.691 1.00 0.00 H new ATOM 513 N GLU A 33 -16.799 -19.732 -22.177 1.00 0.00 N ATOM 514 CA GLU A 33 -18.107 -20.198 -22.677 1.00 0.00 C ATOM 515 C GLU A 33 -19.317 -19.786 -21.825 1.00 0.00 C ATOM 516 O GLU A 33 -20.416 -19.653 -22.370 1.00 0.00 O ATOM 517 CB GLU A 33 -18.090 -21.738 -22.708 1.00 0.00 C ATOM 518 CG GLU A 33 -17.321 -22.359 -23.875 1.00 0.00 C ATOM 519 CD GLU A 33 -18.012 -22.116 -25.233 1.00 0.00 C ATOM 520 OE1 GLU A 33 -17.474 -21.352 -26.071 1.00 0.00 O ATOM 521 OE2 GLU A 33 -19.091 -22.707 -25.484 1.00 0.00 O ATOM 0 H GLU A 33 -16.606 -20.043 -21.225 1.00 0.00 H new ATOM 0 HA GLU A 33 -18.230 -19.732 -23.655 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -17.657 -22.099 -21.775 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -19.119 -22.096 -22.741 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -16.314 -21.944 -23.904 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -17.219 -23.432 -23.709 1.00 0.00 H new ATOM 528 N CYS A 34 -19.157 -19.619 -20.507 1.00 0.00 N ATOM 529 CA CYS A 34 -20.274 -19.325 -19.610 1.00 0.00 C ATOM 530 C CYS A 34 -20.934 -17.942 -19.815 1.00 0.00 C ATOM 531 O CYS A 34 -20.405 -17.042 -20.480 1.00 0.00 O ATOM 532 CB CYS A 34 -19.841 -19.601 -18.164 1.00 0.00 C ATOM 533 SG CYS A 34 -21.298 -20.000 -17.148 1.00 0.00 S ATOM 0 H CYS A 34 -18.254 -19.684 -20.037 1.00 0.00 H new ATOM 0 HA CYS A 34 -21.089 -20.001 -19.869 1.00 0.00 H new ATOM 0 HB2 CYS A 34 -19.132 -20.428 -18.139 1.00 0.00 H new ATOM 0 HB3 CYS A 34 -19.329 -18.730 -17.756 1.00 0.00 H new ATOM 0 HG CYS A 34 -21.056 -21.064 -16.441 1.00 0.00 H new ATOM 538 N LYS A 35 -22.130 -17.794 -19.236 1.00 0.00 N ATOM 539 CA LYS A 35 -22.987 -16.592 -19.272 1.00 0.00 C ATOM 540 C LYS A 35 -22.573 -15.516 -18.257 1.00 0.00 C ATOM 541 O LYS A 35 -23.037 -14.378 -18.347 1.00 0.00 O ATOM 542 CB LYS A 35 -24.448 -17.001 -19.023 1.00 0.00 C ATOM 543 CG LYS A 35 -24.999 -17.839 -20.185 1.00 0.00 C ATOM 544 CD LYS A 35 -26.483 -18.168 -19.986 1.00 0.00 C ATOM 545 CE LYS A 35 -26.984 -18.928 -21.217 1.00 0.00 C ATOM 546 NZ LYS A 35 -28.427 -19.264 -21.108 1.00 0.00 N ATOM 0 H LYS A 35 -22.555 -18.549 -18.698 1.00 0.00 H new ATOM 0 HA LYS A 35 -22.870 -16.149 -20.261 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -24.515 -17.572 -18.097 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -25.060 -16.109 -18.893 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -24.868 -17.296 -21.121 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -24.428 -18.764 -20.271 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -26.620 -18.770 -19.088 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -27.058 -17.253 -19.847 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -26.818 -18.325 -22.109 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -26.406 -19.844 -21.339 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -28.729 -19.778 -21.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -28.582 -19.861 -20.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -28.981 -18.389 -21.017 1.00 0.00 H new ATOM 560 N PHE A 36 -21.695 -15.867 -17.320 1.00 0.00 N ATOM 561 CA PHE A 36 -21.154 -15.007 -16.266 1.00 0.00 C ATOM 562 C PHE A 36 -19.648 -15.290 -16.068 1.00 0.00 C ATOM 563 O PHE A 36 -19.081 -16.170 -16.723 1.00 0.00 O ATOM 564 CB PHE A 36 -21.951 -15.235 -14.973 1.00 0.00 C ATOM 565 CG PHE A 36 -23.457 -15.056 -15.064 1.00 0.00 C ATOM 566 CD1 PHE A 36 -24.313 -16.171 -14.963 1.00 0.00 C ATOM 567 CD2 PHE A 36 -24.006 -13.769 -15.223 1.00 0.00 C ATOM 568 CE1 PHE A 36 -25.708 -15.997 -15.012 1.00 0.00 C ATOM 569 CE2 PHE A 36 -25.401 -13.596 -15.269 1.00 0.00 C ATOM 570 CZ PHE A 36 -26.253 -14.709 -15.162 1.00 0.00 C ATOM 0 H PHE A 36 -21.319 -16.814 -17.272 1.00 0.00 H new ATOM 0 HA PHE A 36 -21.252 -13.960 -16.551 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -21.748 -16.247 -14.621 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -21.572 -14.552 -14.213 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -23.897 -17.161 -14.848 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -23.354 -12.912 -15.310 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -26.361 -16.853 -14.934 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -25.818 -12.607 -15.387 1.00 0.00 H new ATOM 0 HZ PHE A 36 -27.324 -14.575 -15.195 1.00 0.00 H new ATOM 580 N ALA A 37 -18.976 -14.542 -15.190 1.00 0.00 N ATOM 581 CA ALA A 37 -17.538 -14.677 -14.961 1.00 0.00 C ATOM 582 C ALA A 37 -17.180 -15.790 -13.948 1.00 0.00 C ATOM 583 O ALA A 37 -17.923 -16.044 -12.994 1.00 0.00 O ATOM 584 CB ALA A 37 -17.024 -13.315 -14.486 1.00 0.00 C ATOM 0 H ALA A 37 -19.417 -13.823 -14.616 1.00 0.00 H new ATOM 0 HA ALA A 37 -17.059 -14.979 -15.892 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -15.951 -13.374 -14.304 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -17.221 -12.565 -15.252 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -17.534 -13.035 -13.564 1.00 0.00 H new ATOM 590 N HIS A 38 -16.016 -16.424 -14.133 1.00 0.00 N ATOM 591 CA HIS A 38 -15.477 -17.498 -13.287 1.00 0.00 C ATOM 592 C HIS A 38 -14.115 -17.093 -12.668 1.00 0.00 C ATOM 593 O HIS A 38 -13.064 -17.354 -13.267 1.00 0.00 O ATOM 594 CB HIS A 38 -15.363 -18.805 -14.102 1.00 0.00 C ATOM 595 CG HIS A 38 -16.666 -19.439 -14.534 1.00 0.00 C ATOM 596 ND1 HIS A 38 -16.822 -20.385 -15.527 1.00 0.00 N ATOM 597 CD2 HIS A 38 -17.909 -19.228 -13.997 1.00 0.00 C ATOM 598 CE1 HIS A 38 -18.124 -20.717 -15.589 1.00 0.00 C ATOM 599 NE2 HIS A 38 -18.829 -20.032 -14.679 1.00 0.00 N ATOM 0 H HIS A 38 -15.396 -16.193 -14.910 1.00 0.00 H new ATOM 0 HA HIS A 38 -16.166 -17.669 -12.460 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -14.769 -18.602 -14.993 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -14.809 -19.532 -13.508 1.00 0.00 H new ATOM 0 HD1 HIS A 38 -16.079 -20.766 -16.112 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -18.140 -18.555 -13.185 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -18.543 -21.436 -16.277 1.00 0.00 H new ATOM 607 N PRO A 39 -14.095 -16.429 -11.490 1.00 0.00 N ATOM 608 CA PRO A 39 -12.859 -15.970 -10.839 1.00 0.00 C ATOM 609 C PRO A 39 -11.899 -17.100 -10.426 1.00 0.00 C ATOM 610 O PRO A 39 -12.324 -18.163 -9.969 1.00 0.00 O ATOM 611 CB PRO A 39 -13.313 -15.174 -9.606 1.00 0.00 C ATOM 612 CG PRO A 39 -14.722 -15.684 -9.318 1.00 0.00 C ATOM 613 CD PRO A 39 -15.257 -16.042 -10.700 1.00 0.00 C ATOM 0 HA PRO A 39 -12.282 -15.375 -11.547 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -12.649 -15.343 -8.758 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -13.312 -14.102 -9.803 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -14.709 -16.550 -8.656 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -15.334 -14.922 -8.835 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -15.978 -16.857 -10.641 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -15.771 -15.194 -11.152 1.00 0.00 H new ATOM 621 N SER A 40 -10.591 -16.842 -10.532 1.00 0.00 N ATOM 622 CA SER A 40 -9.525 -17.755 -10.093 1.00 0.00 C ATOM 623 C SER A 40 -9.263 -17.648 -8.580 1.00 0.00 C ATOM 624 O SER A 40 -9.909 -16.880 -7.861 1.00 0.00 O ATOM 625 CB SER A 40 -8.217 -17.439 -10.839 1.00 0.00 C ATOM 626 OG SER A 40 -7.609 -16.268 -10.311 1.00 0.00 O ATOM 0 H SER A 40 -10.234 -15.975 -10.934 1.00 0.00 H new ATOM 0 HA SER A 40 -9.859 -18.768 -10.319 1.00 0.00 H new ATOM 0 HB2 SER A 40 -7.531 -18.282 -10.753 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.422 -17.302 -11.901 1.00 0.00 H new ATOM 0 HG SER A 40 -8.103 -15.478 -10.614 1.00 0.00 H new ATOM 632 N LYS A 41 -8.238 -18.370 -8.109 1.00 0.00 N ATOM 633 CA LYS A 41 -7.718 -18.314 -6.734 1.00 0.00 C ATOM 634 C LYS A 41 -7.209 -16.912 -6.334 1.00 0.00 C ATOM 635 O LYS A 41 -7.135 -16.624 -5.139 1.00 0.00 O ATOM 636 CB LYS A 41 -6.587 -19.349 -6.601 1.00 0.00 C ATOM 637 CG LYS A 41 -7.123 -20.793 -6.609 1.00 0.00 C ATOM 638 CD LYS A 41 -6.012 -21.850 -6.525 1.00 0.00 C ATOM 639 CE LYS A 41 -5.261 -21.808 -5.187 1.00 0.00 C ATOM 640 NZ LYS A 41 -4.237 -22.881 -5.102 1.00 0.00 N ATOM 0 H LYS A 41 -7.729 -19.033 -8.694 1.00 0.00 H new ATOM 0 HA LYS A 41 -8.539 -18.542 -6.054 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -5.880 -19.220 -7.420 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -6.039 -19.171 -5.676 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -7.806 -20.925 -5.770 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -7.701 -20.954 -7.519 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -6.446 -22.840 -6.664 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -5.305 -21.695 -7.340 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -4.782 -20.836 -5.068 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -5.971 -21.916 -4.367 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -3.749 -22.823 -4.185 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -4.698 -23.809 -5.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -3.546 -22.763 -5.870 1.00 0.00 H new ATOM 654 N SER A 42 -6.875 -16.051 -7.306 1.00 0.00 N ATOM 655 CA SER A 42 -6.373 -14.679 -7.082 1.00 0.00 C ATOM 656 C SER A 42 -7.362 -13.568 -7.462 1.00 0.00 C ATOM 657 O SER A 42 -7.217 -12.447 -6.970 1.00 0.00 O ATOM 658 CB SER A 42 -5.055 -14.449 -7.833 1.00 0.00 C ATOM 659 OG SER A 42 -4.080 -15.398 -7.424 1.00 0.00 O ATOM 0 H SER A 42 -6.947 -16.291 -8.295 1.00 0.00 H new ATOM 0 HA SER A 42 -6.222 -14.613 -6.005 1.00 0.00 H new ATOM 0 HB2 SER A 42 -5.222 -14.530 -8.907 1.00 0.00 H new ATOM 0 HB3 SER A 42 -4.692 -13.439 -7.642 1.00 0.00 H new ATOM 0 HG SER A 42 -3.245 -15.240 -7.912 1.00 0.00 H new ATOM 665 N CYS A 43 -8.359 -13.832 -8.318 1.00 0.00 N ATOM 666 CA CYS A 43 -9.348 -12.824 -8.716 1.00 0.00 C ATOM 667 C CYS A 43 -10.171 -12.304 -7.518 1.00 0.00 C ATOM 668 O CYS A 43 -10.639 -13.080 -6.681 1.00 0.00 O ATOM 669 CB CYS A 43 -10.269 -13.388 -9.801 1.00 0.00 C ATOM 670 SG CYS A 43 -9.339 -13.758 -11.317 1.00 0.00 S ATOM 0 H CYS A 43 -8.501 -14.745 -8.751 1.00 0.00 H new ATOM 0 HA CYS A 43 -8.801 -11.971 -9.118 1.00 0.00 H new ATOM 0 HB2 CYS A 43 -10.753 -14.294 -9.437 1.00 0.00 H new ATOM 0 HB3 CYS A 43 -11.059 -12.670 -10.021 1.00 0.00 H new ATOM 0 HG CYS A 43 -10.147 -14.236 -12.216 1.00 0.00 H new ATOM 676 N GLN A 44 -10.362 -10.985 -7.448 1.00 0.00 N ATOM 677 CA GLN A 44 -11.114 -10.306 -6.389 1.00 0.00 C ATOM 678 C GLN A 44 -12.633 -10.418 -6.628 1.00 0.00 C ATOM 679 O GLN A 44 -13.116 -10.110 -7.719 1.00 0.00 O ATOM 680 CB GLN A 44 -10.628 -8.847 -6.330 1.00 0.00 C ATOM 681 CG GLN A 44 -11.126 -8.083 -5.093 1.00 0.00 C ATOM 682 CD GLN A 44 -10.388 -6.756 -4.900 1.00 0.00 C ATOM 683 OE1 GLN A 44 -9.163 -6.691 -4.862 1.00 0.00 O ATOM 684 NE2 GLN A 44 -11.080 -5.647 -4.747 1.00 0.00 N ATOM 0 H GLN A 44 -9.988 -10.341 -8.145 1.00 0.00 H new ATOM 0 HA GLN A 44 -10.934 -10.780 -5.424 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -9.538 -8.835 -6.340 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -10.961 -8.325 -7.227 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -12.195 -7.892 -5.191 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -10.993 -8.703 -4.207 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -12.099 -5.674 -4.775 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -10.597 -4.761 -4.601 1.00 0.00 H new ATOM 693 N VAL A 45 -13.376 -10.846 -5.600 1.00 0.00 N ATOM 694 CA VAL A 45 -14.840 -11.060 -5.623 1.00 0.00 C ATOM 695 C VAL A 45 -15.510 -10.219 -4.533 1.00 0.00 C ATOM 696 O VAL A 45 -15.055 -10.209 -3.387 1.00 0.00 O ATOM 697 CB VAL A 45 -15.201 -12.548 -5.396 1.00 0.00 C ATOM 698 CG1 VAL A 45 -16.687 -12.807 -5.690 1.00 0.00 C ATOM 699 CG2 VAL A 45 -14.378 -13.527 -6.242 1.00 0.00 C ATOM 0 H VAL A 45 -12.965 -11.063 -4.692 1.00 0.00 H new ATOM 0 HA VAL A 45 -15.199 -10.759 -6.607 1.00 0.00 H new ATOM 0 HB VAL A 45 -14.969 -12.730 -4.347 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -16.913 -13.860 -5.522 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -17.301 -12.195 -5.029 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -16.903 -12.550 -6.727 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -14.691 -14.548 -6.025 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -14.536 -13.316 -7.300 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -13.320 -13.414 -6.004 1.00 0.00 H new ATOM 709 N GLU A 46 -16.593 -9.520 -4.878 1.00 0.00 N ATOM 710 CA GLU A 46 -17.351 -8.636 -3.981 1.00 0.00 C ATOM 711 C GLU A 46 -18.862 -8.665 -4.290 1.00 0.00 C ATOM 712 O GLU A 46 -19.278 -8.462 -5.430 1.00 0.00 O ATOM 713 CB GLU A 46 -16.837 -7.189 -4.124 1.00 0.00 C ATOM 714 CG GLU A 46 -15.406 -6.988 -3.598 1.00 0.00 C ATOM 715 CD GLU A 46 -14.899 -5.551 -3.811 1.00 0.00 C ATOM 716 OE1 GLU A 46 -13.892 -5.373 -4.540 1.00 0.00 O ATOM 717 OE2 GLU A 46 -15.475 -4.600 -3.228 1.00 0.00 O ATOM 0 H GLU A 46 -16.982 -9.553 -5.820 1.00 0.00 H new ATOM 0 HA GLU A 46 -17.204 -8.995 -2.962 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -16.872 -6.902 -5.175 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -17.509 -6.519 -3.588 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -15.376 -7.227 -2.535 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -14.736 -7.685 -4.101 1.00 0.00 H new ATOM 724 N ASN A 47 -19.684 -8.884 -3.256 1.00 0.00 N ATOM 725 CA ASN A 47 -21.161 -8.894 -3.266 1.00 0.00 C ATOM 726 C ASN A 47 -21.860 -9.548 -4.489 1.00 0.00 C ATOM 727 O ASN A 47 -22.879 -9.050 -4.977 1.00 0.00 O ATOM 728 CB ASN A 47 -21.636 -7.451 -2.995 1.00 0.00 C ATOM 729 CG ASN A 47 -23.087 -7.361 -2.538 1.00 0.00 C ATOM 730 OD1 ASN A 47 -23.620 -8.234 -1.865 1.00 0.00 O ATOM 731 ND2 ASN A 47 -23.775 -6.290 -2.871 1.00 0.00 N ATOM 0 H ASN A 47 -19.314 -9.072 -2.324 1.00 0.00 H new ATOM 0 HA ASN A 47 -21.477 -9.574 -2.475 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -20.996 -7.004 -2.234 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -21.513 -6.860 -3.903 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -24.744 -6.192 -2.569 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -23.339 -5.558 -3.431 1.00 0.00 H new ATOM 738 N GLY A 48 -21.322 -10.659 -5.005 1.00 0.00 N ATOM 739 CA GLY A 48 -21.900 -11.388 -6.150 1.00 0.00 C ATOM 740 C GLY A 48 -21.333 -11.002 -7.523 1.00 0.00 C ATOM 741 O GLY A 48 -21.868 -11.413 -8.557 1.00 0.00 O ATOM 0 H GLY A 48 -20.469 -11.083 -4.641 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -21.743 -12.456 -5.997 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -22.977 -11.222 -6.160 1.00 0.00 H new ATOM 745 N ARG A 49 -20.257 -10.211 -7.553 1.00 0.00 N ATOM 746 CA ARG A 49 -19.572 -9.745 -8.762 1.00 0.00 C ATOM 747 C ARG A 49 -18.052 -9.808 -8.614 1.00 0.00 C ATOM 748 O ARG A 49 -17.506 -10.025 -7.535 1.00 0.00 O ATOM 749 CB ARG A 49 -20.017 -8.311 -9.121 1.00 0.00 C ATOM 750 CG ARG A 49 -21.540 -8.131 -9.221 1.00 0.00 C ATOM 751 CD ARG A 49 -21.861 -6.789 -9.886 1.00 0.00 C ATOM 752 NE ARG A 49 -23.284 -6.682 -10.258 1.00 0.00 N ATOM 753 CZ ARG A 49 -23.775 -6.385 -11.450 1.00 0.00 C ATOM 754 NH1 ARG A 49 -25.064 -6.354 -11.629 1.00 0.00 N ATOM 755 NH2 ARG A 49 -23.024 -6.120 -12.486 1.00 0.00 N ATOM 0 H ARG A 49 -19.821 -9.863 -6.699 1.00 0.00 H new ATOM 0 HA ARG A 49 -19.853 -10.416 -9.574 1.00 0.00 H new ATOM 0 HB2 ARG A 49 -19.630 -7.623 -8.369 1.00 0.00 H new ATOM 0 HB3 ARG A 49 -19.566 -8.030 -10.073 1.00 0.00 H new ATOM 0 HG2 ARG A 49 -21.975 -8.947 -9.799 1.00 0.00 H new ATOM 0 HG3 ARG A 49 -21.986 -8.171 -8.227 1.00 0.00 H new ATOM 0 HD2 ARG A 49 -21.602 -5.977 -9.207 1.00 0.00 H new ATOM 0 HD3 ARG A 49 -21.244 -6.669 -10.776 1.00 0.00 H new ATOM 0 HE ARG A 49 -23.963 -6.856 -9.517 1.00 0.00 H new ATOM 0 HH11 ARG A 49 -25.692 -6.558 -10.852 1.00 0.00 H new ATOM 0 HH12 ARG A 49 -25.446 -6.125 -12.547 1.00 0.00 H new ATOM 0 HH21 ARG A 49 -22.008 -6.136 -12.397 1.00 0.00 H new ATOM 0 HH22 ARG A 49 -23.454 -5.897 -13.384 1.00 0.00 H new ATOM 769 N VAL A 50 -17.387 -9.581 -9.732 1.00 0.00 N ATOM 770 CA VAL A 50 -15.935 -9.516 -9.944 1.00 0.00 C ATOM 771 C VAL A 50 -15.658 -8.301 -10.836 1.00 0.00 C ATOM 772 O VAL A 50 -16.602 -7.704 -11.346 1.00 0.00 O ATOM 773 CB VAL A 50 -15.418 -10.813 -10.600 1.00 0.00 C ATOM 774 CG1 VAL A 50 -15.371 -11.963 -9.598 1.00 0.00 C ATOM 775 CG2 VAL A 50 -16.228 -11.286 -11.813 1.00 0.00 C ATOM 0 H VAL A 50 -17.890 -9.421 -10.605 1.00 0.00 H new ATOM 0 HA VAL A 50 -15.414 -9.414 -8.992 1.00 0.00 H new ATOM 0 HB VAL A 50 -14.420 -10.548 -10.949 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -15.002 -12.862 -10.093 1.00 0.00 H new ATOM 0 HG12 VAL A 50 -14.705 -11.702 -8.776 1.00 0.00 H new ATOM 0 HG13 VAL A 50 -16.372 -12.148 -9.209 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -15.791 -12.203 -12.207 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -17.258 -11.476 -11.511 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -16.212 -10.516 -12.584 1.00 0.00 H new ATOM 785 N ILE A 51 -14.403 -7.905 -11.061 1.00 0.00 N ATOM 786 CA ILE A 51 -14.074 -6.741 -11.910 1.00 0.00 C ATOM 787 C ILE A 51 -13.154 -7.195 -13.049 1.00 0.00 C ATOM 788 O ILE A 51 -12.144 -7.862 -12.815 1.00 0.00 O ATOM 789 CB ILE A 51 -13.459 -5.587 -11.079 1.00 0.00 C ATOM 790 CG1 ILE A 51 -14.412 -5.182 -9.934 1.00 0.00 C ATOM 791 CG2 ILE A 51 -13.162 -4.375 -11.985 1.00 0.00 C ATOM 792 CD1 ILE A 51 -13.973 -3.983 -9.086 1.00 0.00 C ATOM 0 H ILE A 51 -13.587 -8.373 -10.667 1.00 0.00 H new ATOM 0 HA ILE A 51 -14.990 -6.340 -12.345 1.00 0.00 H new ATOM 0 HB ILE A 51 -12.522 -5.933 -10.643 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -15.389 -4.960 -10.363 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -14.541 -6.040 -9.275 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -12.730 -3.572 -11.388 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -12.458 -4.667 -12.764 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -14.088 -4.028 -12.444 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -14.718 -3.791 -8.314 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -13.013 -4.201 -8.617 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -13.875 -3.104 -9.723 1.00 0.00 H new ATOM 804 N ALA A 52 -13.511 -6.847 -14.285 1.00 0.00 N ATOM 805 CA ALA A 52 -12.739 -7.165 -15.481 1.00 0.00 C ATOM 806 C ALA A 52 -11.469 -6.292 -15.588 1.00 0.00 C ATOM 807 O ALA A 52 -11.457 -5.128 -15.174 1.00 0.00 O ATOM 808 CB ALA A 52 -13.650 -7.031 -16.705 1.00 0.00 C ATOM 0 H ALA A 52 -14.364 -6.325 -14.485 1.00 0.00 H new ATOM 0 HA ALA A 52 -12.382 -8.193 -15.424 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -13.085 -7.266 -17.607 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -14.488 -7.721 -16.612 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -14.026 -6.010 -16.769 1.00 0.00 H new ATOM 814 N CYS A 53 -10.393 -6.864 -16.133 1.00 0.00 N ATOM 815 CA CYS A 53 -9.086 -6.231 -16.264 1.00 0.00 C ATOM 816 C CYS A 53 -9.065 -5.097 -17.304 1.00 0.00 C ATOM 817 O CYS A 53 -8.980 -5.314 -18.522 1.00 0.00 O ATOM 818 CB CYS A 53 -8.035 -7.322 -16.523 1.00 0.00 C ATOM 819 SG CYS A 53 -6.342 -6.674 -16.320 1.00 0.00 S ATOM 0 H CYS A 53 -10.412 -7.813 -16.507 1.00 0.00 H new ATOM 0 HA CYS A 53 -8.840 -5.727 -15.330 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -8.193 -8.153 -15.835 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -8.157 -7.715 -17.532 1.00 0.00 H new ATOM 0 HG CYS A 53 -5.707 -7.387 -15.437 1.00 0.00 H new ATOM 824 N PHE A 54 -9.138 -3.861 -16.802 1.00 0.00 N ATOM 825 CA PHE A 54 -9.027 -2.648 -17.615 1.00 0.00 C ATOM 826 C PHE A 54 -7.654 -2.591 -18.297 1.00 0.00 C ATOM 827 O PHE A 54 -7.565 -2.216 -19.464 1.00 0.00 O ATOM 828 CB PHE A 54 -9.256 -1.388 -16.761 1.00 0.00 C ATOM 829 CG PHE A 54 -8.441 -1.304 -15.484 1.00 0.00 C ATOM 830 CD1 PHE A 54 -7.155 -0.733 -15.502 1.00 0.00 C ATOM 831 CD2 PHE A 54 -8.963 -1.815 -14.280 1.00 0.00 C ATOM 832 CE1 PHE A 54 -6.379 -0.705 -14.332 1.00 0.00 C ATOM 833 CE2 PHE A 54 -8.192 -1.774 -13.104 1.00 0.00 C ATOM 834 CZ PHE A 54 -6.897 -1.224 -13.131 1.00 0.00 C ATOM 0 H PHE A 54 -9.277 -3.673 -15.809 1.00 0.00 H new ATOM 0 HA PHE A 54 -9.800 -2.680 -18.383 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -9.034 -0.512 -17.371 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -10.313 -1.335 -16.500 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -6.764 -0.315 -16.418 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -9.956 -2.239 -14.259 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -5.384 -0.285 -14.354 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -8.594 -2.165 -12.181 1.00 0.00 H new ATOM 0 HZ PHE A 54 -6.301 -1.200 -12.231 1.00 0.00 H new ATOM 844 N ASP A 55 -6.587 -3.005 -17.607 1.00 0.00 N ATOM 845 CA ASP A 55 -5.238 -3.048 -18.171 1.00 0.00 C ATOM 846 C ASP A 55 -5.178 -4.003 -19.374 1.00 0.00 C ATOM 847 O ASP A 55 -4.576 -3.654 -20.389 1.00 0.00 O ATOM 848 CB ASP A 55 -4.207 -3.457 -17.111 1.00 0.00 C ATOM 849 CG ASP A 55 -3.978 -2.426 -16.008 1.00 0.00 C ATOM 850 OD1 ASP A 55 -3.858 -2.840 -14.830 1.00 0.00 O ATOM 851 OD2 ASP A 55 -3.839 -1.223 -16.330 1.00 0.00 O ATOM 0 H ASP A 55 -6.637 -3.320 -16.638 1.00 0.00 H new ATOM 0 HA ASP A 55 -4.991 -2.044 -18.515 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.529 -4.392 -16.653 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.257 -3.655 -17.606 1.00 0.00 H new ATOM 856 N SER A 56 -5.811 -5.179 -19.312 1.00 0.00 N ATOM 857 CA SER A 56 -5.845 -6.122 -20.437 1.00 0.00 C ATOM 858 C SER A 56 -6.597 -5.533 -21.643 1.00 0.00 C ATOM 859 O SER A 56 -6.115 -5.622 -22.776 1.00 0.00 O ATOM 860 CB SER A 56 -6.447 -7.455 -19.983 1.00 0.00 C ATOM 861 OG SER A 56 -6.500 -8.381 -21.058 1.00 0.00 O ATOM 0 H SER A 56 -6.312 -5.504 -18.485 1.00 0.00 H new ATOM 0 HA SER A 56 -4.823 -6.306 -20.769 1.00 0.00 H new ATOM 0 HB2 SER A 56 -5.851 -7.870 -19.170 1.00 0.00 H new ATOM 0 HB3 SER A 56 -7.450 -7.290 -19.590 1.00 0.00 H new ATOM 0 HG SER A 56 -6.886 -9.225 -20.744 1.00 0.00 H new ATOM 867 N LEU A 57 -7.734 -4.858 -21.415 1.00 0.00 N ATOM 868 CA LEU A 57 -8.507 -4.181 -22.471 1.00 0.00 C ATOM 869 C LEU A 57 -7.741 -3.009 -23.116 1.00 0.00 C ATOM 870 O LEU A 57 -7.789 -2.843 -24.337 1.00 0.00 O ATOM 871 CB LEU A 57 -9.849 -3.689 -21.892 1.00 0.00 C ATOM 872 CG LEU A 57 -10.909 -4.798 -21.770 1.00 0.00 C ATOM 873 CD1 LEU A 57 -12.048 -4.326 -20.867 1.00 0.00 C ATOM 874 CD2 LEU A 57 -11.508 -5.177 -23.129 1.00 0.00 C ATOM 0 H LEU A 57 -8.147 -4.765 -20.487 1.00 0.00 H new ATOM 0 HA LEU A 57 -8.685 -4.909 -23.262 1.00 0.00 H new ATOM 0 HB2 LEU A 57 -9.674 -3.255 -20.907 1.00 0.00 H new ATOM 0 HB3 LEU A 57 -10.239 -2.893 -22.526 1.00 0.00 H new ATOM 0 HG LEU A 57 -10.409 -5.672 -21.351 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -12.796 -5.114 -20.783 1.00 0.00 H new ATOM 0 HD12 LEU A 57 -11.655 -4.092 -19.878 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -12.506 -3.435 -21.295 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -12.251 -5.963 -22.993 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -11.983 -4.302 -23.574 1.00 0.00 H new ATOM 0 HD23 LEU A 57 -10.717 -5.535 -23.788 1.00 0.00 H new ATOM 886 N LYS A 58 -7.026 -2.203 -22.316 1.00 0.00 N ATOM 887 CA LYS A 58 -6.224 -1.052 -22.781 1.00 0.00 C ATOM 888 C LYS A 58 -4.855 -1.443 -23.369 1.00 0.00 C ATOM 889 O LYS A 58 -4.187 -0.595 -23.962 1.00 0.00 O ATOM 890 CB LYS A 58 -6.048 -0.047 -21.624 1.00 0.00 C ATOM 891 CG LYS A 58 -7.356 0.614 -21.140 1.00 0.00 C ATOM 892 CD LYS A 58 -8.120 1.456 -22.176 1.00 0.00 C ATOM 893 CE LYS A 58 -7.270 2.603 -22.742 1.00 0.00 C ATOM 894 NZ LYS A 58 -8.045 3.441 -23.694 1.00 0.00 N ATOM 0 H LYS A 58 -6.986 -2.333 -21.305 1.00 0.00 H new ATOM 0 HA LYS A 58 -6.777 -0.594 -23.601 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -5.583 -0.560 -20.782 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -5.358 0.735 -21.941 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -8.022 -0.170 -20.779 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -7.122 1.251 -20.287 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -8.447 0.813 -22.993 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -9.018 1.867 -21.715 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -6.905 3.224 -21.924 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -6.395 2.193 -23.246 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -7.440 4.205 -24.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -8.372 2.853 -24.487 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -8.866 3.852 -23.206 1.00 0.00 H new ATOM 908 N GLY A 59 -4.430 -2.701 -23.218 1.00 0.00 N ATOM 909 CA GLY A 59 -3.148 -3.217 -23.723 1.00 0.00 C ATOM 910 C GLY A 59 -1.947 -2.869 -22.830 1.00 0.00 C ATOM 911 O GLY A 59 -0.866 -2.556 -23.337 1.00 0.00 O ATOM 0 H GLY A 59 -4.979 -3.408 -22.730 1.00 0.00 H new ATOM 0 HA2 GLY A 59 -3.215 -4.301 -23.820 1.00 0.00 H new ATOM 0 HA3 GLY A 59 -2.974 -2.818 -24.722 1.00 0.00 H new ATOM 915 N ARG A 60 -2.146 -2.889 -21.504 1.00 0.00 N ATOM 916 CA ARG A 60 -1.171 -2.526 -20.458 1.00 0.00 C ATOM 917 C ARG A 60 -0.845 -3.659 -19.468 1.00 0.00 C ATOM 918 O ARG A 60 0.196 -3.591 -18.812 1.00 0.00 O ATOM 919 CB ARG A 60 -1.715 -1.270 -19.740 1.00 0.00 C ATOM 920 CG ARG A 60 -0.690 -0.581 -18.822 1.00 0.00 C ATOM 921 CD ARG A 60 -1.138 0.828 -18.410 1.00 0.00 C ATOM 922 NE ARG A 60 -2.355 0.788 -17.580 1.00 0.00 N ATOM 923 CZ ARG A 60 -3.112 1.793 -17.196 1.00 0.00 C ATOM 924 NH1 ARG A 60 -4.148 1.525 -16.462 1.00 0.00 N ATOM 925 NH2 ARG A 60 -2.870 3.033 -17.517 1.00 0.00 N ATOM 0 H ARG A 60 -3.041 -3.175 -21.107 1.00 0.00 H new ATOM 0 HA ARG A 60 -0.212 -2.323 -20.935 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -2.055 -0.555 -20.489 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -2.586 -1.551 -19.148 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -0.538 -1.188 -17.929 1.00 0.00 H new ATOM 0 HG3 ARG A 60 0.271 -0.520 -19.333 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -0.336 1.319 -17.858 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -1.324 1.427 -19.302 1.00 0.00 H new ATOM 0 HE ARG A 60 -2.648 -0.136 -17.263 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -4.353 0.560 -16.201 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -4.758 2.279 -16.146 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -2.060 3.262 -18.093 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -3.490 3.774 -17.192 1.00 0.00 H new ATOM 939 N CYS A 61 -1.695 -4.687 -19.347 1.00 0.00 N ATOM 940 CA CYS A 61 -1.484 -5.793 -18.405 1.00 0.00 C ATOM 941 C CYS A 61 -0.276 -6.677 -18.788 1.00 0.00 C ATOM 942 O CYS A 61 -0.040 -6.983 -19.964 1.00 0.00 O ATOM 943 CB CYS A 61 -2.782 -6.610 -18.253 1.00 0.00 C ATOM 944 SG CYS A 61 -2.772 -7.587 -16.710 1.00 0.00 S ATOM 0 H CYS A 61 -2.548 -4.775 -19.899 1.00 0.00 H new ATOM 0 HA CYS A 61 -1.234 -5.365 -17.434 1.00 0.00 H new ATOM 0 HB2 CYS A 61 -3.640 -5.938 -18.255 1.00 0.00 H new ATOM 0 HB3 CYS A 61 -2.897 -7.277 -19.108 1.00 0.00 H new ATOM 0 HG CYS A 61 -3.691 -8.505 -16.772 1.00 0.00 H new ATOM 1013 N CYS A 66 -2.715 -11.443 -11.549 1.00 0.00 N ATOM 1014 CA CYS A 66 -3.750 -10.444 -11.813 1.00 0.00 C ATOM 1015 C CYS A 66 -5.060 -10.760 -11.059 1.00 0.00 C ATOM 1016 O CYS A 66 -5.613 -11.863 -11.154 1.00 0.00 O ATOM 1017 CB CYS A 66 -3.928 -10.375 -13.339 1.00 0.00 C ATOM 1018 SG CYS A 66 -4.770 -8.858 -13.872 1.00 0.00 S ATOM 0 HA CYS A 66 -3.452 -9.465 -11.437 1.00 0.00 H new ATOM 0 HB2 CYS A 66 -2.951 -10.432 -13.819 1.00 0.00 H new ATOM 0 HB3 CYS A 66 -4.499 -11.241 -13.675 1.00 0.00 H new ATOM 0 HG CYS A 66 -4.129 -8.336 -14.875 1.00 0.00 H new ATOM 1023 N LYS A 67 -5.541 -9.783 -10.281 1.00 0.00 N ATOM 1024 CA LYS A 67 -6.761 -9.892 -9.455 1.00 0.00 C ATOM 1025 C LYS A 67 -8.047 -9.598 -10.230 1.00 0.00 C ATOM 1026 O LYS A 67 -9.129 -9.593 -9.641 1.00 0.00 O ATOM 1027 CB LYS A 67 -6.706 -8.950 -8.241 1.00 0.00 C ATOM 1028 CG LYS A 67 -5.355 -8.951 -7.516 1.00 0.00 C ATOM 1029 CD LYS A 67 -5.472 -8.303 -6.130 1.00 0.00 C ATOM 1030 CE LYS A 67 -5.811 -6.804 -6.216 1.00 0.00 C ATOM 1031 NZ LYS A 67 -6.321 -6.274 -4.926 1.00 0.00 N ATOM 0 H LYS A 67 -5.087 -8.873 -10.203 1.00 0.00 H new ATOM 0 HA LYS A 67 -6.786 -10.932 -9.128 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -6.930 -7.935 -8.570 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -7.486 -9.236 -7.536 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -4.995 -9.975 -7.413 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -4.618 -8.412 -8.112 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -6.243 -8.816 -5.555 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -4.534 -8.431 -5.590 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.921 -6.247 -6.510 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -6.558 -6.645 -6.994 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.111 -5.258 -4.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -7.350 -6.419 -4.873 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.860 -6.774 -4.139 1.00 0.00 H new ATOM 1045 N TYR A 68 -7.932 -9.330 -11.524 1.00 0.00 N ATOM 1046 CA TYR A 68 -9.039 -8.923 -12.381 1.00 0.00 C ATOM 1047 C TYR A 68 -9.290 -9.942 -13.502 1.00 0.00 C ATOM 1048 O TYR A 68 -8.387 -10.650 -13.954 1.00 0.00 O ATOM 1049 CB TYR A 68 -8.739 -7.511 -12.896 1.00 0.00 C ATOM 1050 CG TYR A 68 -8.531 -6.481 -11.793 1.00 0.00 C ATOM 1051 CD1 TYR A 68 -7.243 -6.258 -11.259 1.00 0.00 C ATOM 1052 CD2 TYR A 68 -9.633 -5.775 -11.274 1.00 0.00 C ATOM 1053 CE1 TYR A 68 -7.061 -5.337 -10.210 1.00 0.00 C ATOM 1054 CE2 TYR A 68 -9.457 -4.851 -10.226 1.00 0.00 C ATOM 1055 CZ TYR A 68 -8.168 -4.631 -9.689 1.00 0.00 C ATOM 1056 OH TYR A 68 -7.983 -3.751 -8.667 1.00 0.00 O ATOM 0 H TYR A 68 -7.043 -9.391 -12.020 1.00 0.00 H new ATOM 0 HA TYR A 68 -9.972 -8.898 -11.818 1.00 0.00 H new ATOM 0 HB2 TYR A 68 -7.846 -7.545 -13.520 1.00 0.00 H new ATOM 0 HB3 TYR A 68 -9.561 -7.185 -13.533 1.00 0.00 H new ATOM 0 HD1 TYR A 68 -6.395 -6.796 -11.657 1.00 0.00 H new ATOM 0 HD2 TYR A 68 -10.619 -5.943 -11.682 1.00 0.00 H new ATOM 0 HE1 TYR A 68 -6.074 -5.170 -9.803 1.00 0.00 H new ATOM 0 HE2 TYR A 68 -10.306 -4.311 -9.833 1.00 0.00 H new ATOM 0 HH TYR A 68 -8.842 -3.347 -8.424 1.00 0.00 H new ATOM 1066 N LEU A 69 -10.550 -10.056 -13.922 1.00 0.00 N ATOM 1067 CA LEU A 69 -10.982 -11.028 -14.928 1.00 0.00 C ATOM 1068 C LEU A 69 -10.575 -10.589 -16.335 1.00 0.00 C ATOM 1069 O LEU A 69 -11.054 -9.567 -16.821 1.00 0.00 O ATOM 1070 CB LEU A 69 -12.513 -11.213 -14.851 1.00 0.00 C ATOM 1071 CG LEU A 69 -13.003 -12.264 -13.843 1.00 0.00 C ATOM 1072 CD1 LEU A 69 -12.653 -13.685 -14.285 1.00 0.00 C ATOM 1073 CD2 LEU A 69 -12.456 -12.038 -12.437 1.00 0.00 C ATOM 0 H LEU A 69 -11.308 -9.471 -13.570 1.00 0.00 H new ATOM 0 HA LEU A 69 -10.490 -11.978 -14.719 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -12.965 -10.254 -14.598 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -12.879 -11.486 -15.841 1.00 0.00 H new ATOM 0 HG LEU A 69 -14.086 -12.148 -13.815 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.017 -14.397 -13.544 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.120 -13.892 -15.248 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -11.571 -13.781 -14.379 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -12.837 -12.811 -11.770 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -11.367 -12.082 -12.459 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -12.773 -11.059 -12.076 1.00 0.00 H new ATOM 1085 N HIS A 70 -9.735 -11.370 -17.015 1.00 0.00 N ATOM 1086 CA HIS A 70 -9.377 -11.096 -18.412 1.00 0.00 C ATOM 1087 C HIS A 70 -10.612 -11.434 -19.283 1.00 0.00 C ATOM 1088 O HIS A 70 -11.020 -12.600 -19.307 1.00 0.00 O ATOM 1089 CB HIS A 70 -8.121 -11.881 -18.813 1.00 0.00 C ATOM 1090 CG HIS A 70 -6.826 -11.272 -18.311 1.00 0.00 C ATOM 1091 ND1 HIS A 70 -5.581 -11.432 -18.882 1.00 0.00 N ATOM 1092 CD2 HIS A 70 -6.679 -10.347 -17.306 1.00 0.00 C ATOM 1093 CE1 HIS A 70 -4.723 -10.600 -18.261 1.00 0.00 C ATOM 1094 NE2 HIS A 70 -5.351 -9.908 -17.296 1.00 0.00 N ATOM 0 H HIS A 70 -9.288 -12.199 -16.623 1.00 0.00 H new ATOM 0 HA HIS A 70 -9.122 -10.046 -18.558 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -8.204 -12.899 -18.431 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -8.080 -11.951 -19.900 1.00 0.00 H new ATOM 0 HD1 HIS A 70 -5.350 -12.070 -19.643 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -7.458 -10.015 -16.636 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -3.675 -10.503 -18.505 1.00 0.00 H new ATOM 1102 N PRO A 71 -11.250 -10.447 -19.948 1.00 0.00 N ATOM 1103 CA PRO A 71 -12.494 -10.616 -20.709 1.00 0.00 C ATOM 1104 C PRO A 71 -12.553 -11.818 -21.675 1.00 0.00 C ATOM 1105 O PRO A 71 -11.805 -11.840 -22.658 1.00 0.00 O ATOM 1106 CB PRO A 71 -12.670 -9.299 -21.466 1.00 0.00 C ATOM 1107 CG PRO A 71 -12.068 -8.287 -20.510 1.00 0.00 C ATOM 1108 CD PRO A 71 -10.854 -9.044 -19.982 1.00 0.00 C ATOM 0 HA PRO A 71 -13.299 -10.845 -20.010 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -12.152 -9.310 -22.425 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.719 -9.087 -21.673 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -11.786 -7.363 -21.016 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -12.760 -8.015 -19.713 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -9.989 -8.897 -20.628 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -10.574 -8.692 -18.989 1.00 0.00 H new ATOM 1116 N PRO A 72 -13.446 -12.804 -21.453 1.00 0.00 N ATOM 1117 CA PRO A 72 -13.608 -13.923 -22.380 1.00 0.00 C ATOM 1118 C PRO A 72 -14.399 -13.480 -23.627 1.00 0.00 C ATOM 1119 O PRO A 72 -15.272 -12.614 -23.510 1.00 0.00 O ATOM 1120 CB PRO A 72 -14.374 -14.986 -21.591 1.00 0.00 C ATOM 1121 CG PRO A 72 -15.202 -14.185 -20.594 1.00 0.00 C ATOM 1122 CD PRO A 72 -14.373 -12.931 -20.331 1.00 0.00 C ATOM 0 HA PRO A 72 -12.652 -14.302 -22.741 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -15.008 -15.587 -22.243 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -13.695 -15.673 -21.085 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -16.182 -13.935 -21.001 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -15.373 -14.748 -19.676 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -15.013 -12.052 -20.255 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -13.832 -13.014 -19.388 1.00 0.00 H new ATOM 1130 N PRO A 73 -14.163 -14.065 -24.821 1.00 0.00 N ATOM 1131 CA PRO A 73 -14.874 -13.715 -26.060 1.00 0.00 C ATOM 1132 C PRO A 73 -16.403 -13.618 -25.932 1.00 0.00 C ATOM 1133 O PRO A 73 -17.019 -12.713 -26.497 1.00 0.00 O ATOM 1134 CB PRO A 73 -14.464 -14.783 -27.079 1.00 0.00 C ATOM 1135 CG PRO A 73 -13.074 -15.203 -26.608 1.00 0.00 C ATOM 1136 CD PRO A 73 -13.173 -15.102 -25.087 1.00 0.00 C ATOM 0 HA PRO A 73 -14.592 -12.706 -26.361 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -15.158 -15.623 -27.082 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -14.442 -14.384 -28.093 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -12.829 -16.216 -26.929 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -12.299 -14.547 -27.005 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -13.477 -16.054 -24.651 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -12.209 -14.844 -24.649 1.00 0.00 H new ATOM 1144 N HIS A 74 -17.021 -14.524 -25.160 1.00 0.00 N ATOM 1145 CA HIS A 74 -18.474 -14.566 -24.922 1.00 0.00 C ATOM 1146 C HIS A 74 -19.026 -13.414 -24.061 1.00 0.00 C ATOM 1147 O HIS A 74 -20.228 -13.154 -24.101 1.00 0.00 O ATOM 1148 CB HIS A 74 -18.821 -15.948 -24.332 1.00 0.00 C ATOM 1149 CG HIS A 74 -20.296 -16.262 -24.304 1.00 0.00 C ATOM 1150 ND1 HIS A 74 -21.033 -16.630 -23.193 1.00 0.00 N ATOM 1151 CD2 HIS A 74 -21.135 -16.288 -25.385 1.00 0.00 C ATOM 1152 CE1 HIS A 74 -22.298 -16.877 -23.592 1.00 0.00 C ATOM 1153 NE2 HIS A 74 -22.383 -16.667 -24.922 1.00 0.00 N ATOM 0 H HIS A 74 -16.515 -15.264 -24.673 1.00 0.00 H new ATOM 0 HA HIS A 74 -18.970 -14.419 -25.881 1.00 0.00 H new ATOM 0 HB2 HIS A 74 -18.310 -16.716 -24.912 1.00 0.00 H new ATOM 0 HB3 HIS A 74 -18.431 -16.004 -23.316 1.00 0.00 H new ATOM 0 HD1 HIS A 74 -20.681 -16.702 -22.238 1.00 0.00 H new ATOM 0 HD2 HIS A 74 -20.873 -16.056 -26.407 1.00 0.00 H new ATOM 0 HE1 HIS A 74 -23.109 -17.191 -22.952 1.00 0.00 H new ATOM 1162 N LEU A 75 -18.173 -12.703 -23.314 1.00 0.00 N ATOM 1163 CA LEU A 75 -18.555 -11.559 -22.464 1.00 0.00 C ATOM 1164 C LEU A 75 -17.959 -10.233 -22.948 1.00 0.00 C ATOM 1165 O LEU A 75 -18.486 -9.183 -22.587 1.00 0.00 O ATOM 1166 CB LEU A 75 -18.222 -11.841 -20.988 1.00 0.00 C ATOM 1167 CG LEU A 75 -18.923 -13.091 -20.414 1.00 0.00 C ATOM 1168 CD1 LEU A 75 -18.466 -13.385 -18.986 1.00 0.00 C ATOM 1169 CD2 LEU A 75 -20.444 -12.924 -20.398 1.00 0.00 C ATOM 0 H LEU A 75 -17.174 -12.908 -23.280 1.00 0.00 H new ATOM 0 HA LEU A 75 -19.636 -11.443 -22.548 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -17.144 -11.963 -20.886 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -18.502 -10.973 -20.391 1.00 0.00 H new ATOM 0 HG LEU A 75 -18.648 -13.919 -21.068 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -18.980 -14.271 -18.615 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -17.390 -13.559 -18.977 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -18.701 -12.534 -18.346 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -20.904 -13.823 -19.988 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -20.709 -12.066 -19.780 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -20.803 -12.764 -21.415 1.00 0.00 H new ATOM 1181 N LYS A 76 -16.931 -10.241 -23.811 1.00 0.00 N ATOM 1182 CA LYS A 76 -16.379 -9.016 -24.425 1.00 0.00 C ATOM 1183 C LYS A 76 -17.470 -8.204 -25.136 1.00 0.00 C ATOM 1184 O LYS A 76 -17.451 -6.979 -25.047 1.00 0.00 O ATOM 1185 CB LYS A 76 -15.224 -9.353 -25.383 1.00 0.00 C ATOM 1186 CG LYS A 76 -13.911 -9.554 -24.609 1.00 0.00 C ATOM 1187 CD LYS A 76 -12.750 -10.035 -25.492 1.00 0.00 C ATOM 1188 CE LYS A 76 -12.375 -9.014 -26.577 1.00 0.00 C ATOM 1189 NZ LYS A 76 -11.209 -9.470 -27.379 1.00 0.00 N ATOM 0 H LYS A 76 -16.457 -11.095 -24.105 1.00 0.00 H new ATOM 0 HA LYS A 76 -15.980 -8.395 -23.623 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -15.463 -10.257 -25.943 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -15.103 -8.550 -26.110 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -13.631 -8.614 -24.133 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -14.075 -10.278 -23.811 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.879 -10.232 -24.867 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -13.023 -10.979 -25.964 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -13.229 -8.852 -27.235 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -12.145 -8.056 -26.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.984 -8.756 -28.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -10.388 -9.601 -26.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.438 -10.372 -27.843 1.00 0.00 H new ATOM 1203 N THR A 77 -18.447 -8.865 -25.768 1.00 0.00 N ATOM 1204 CA THR A 77 -19.594 -8.203 -26.417 1.00 0.00 C ATOM 1205 C THR A 77 -20.456 -7.448 -25.398 1.00 0.00 C ATOM 1206 O THR A 77 -20.840 -6.302 -25.624 1.00 0.00 O ATOM 1207 CB THR A 77 -20.472 -9.230 -27.152 1.00 0.00 C ATOM 1208 OG1 THR A 77 -19.672 -10.030 -28.001 1.00 0.00 O ATOM 1209 CG2 THR A 77 -21.535 -8.560 -28.022 1.00 0.00 C ATOM 0 H THR A 77 -18.468 -9.882 -25.846 1.00 0.00 H new ATOM 0 HA THR A 77 -19.188 -7.489 -27.134 1.00 0.00 H new ATOM 0 HB THR A 77 -20.961 -9.830 -26.385 1.00 0.00 H new ATOM 0 HG1 THR A 77 -20.238 -10.683 -28.464 1.00 0.00 H new ATOM 0 HG21 THR A 77 -22.131 -9.324 -28.522 1.00 0.00 H new ATOM 0 HG22 THR A 77 -22.183 -7.946 -27.397 1.00 0.00 H new ATOM 0 HG23 THR A 77 -21.050 -7.932 -28.769 1.00 0.00 H new ATOM 1217 N GLN A 78 -20.729 -8.066 -24.244 1.00 0.00 N ATOM 1218 CA GLN A 78 -21.505 -7.457 -23.160 1.00 0.00 C ATOM 1219 C GLN A 78 -20.735 -6.285 -22.531 1.00 0.00 C ATOM 1220 O GLN A 78 -21.298 -5.208 -22.317 1.00 0.00 O ATOM 1221 CB GLN A 78 -21.843 -8.528 -22.102 1.00 0.00 C ATOM 1222 CG GLN A 78 -22.632 -9.733 -22.648 1.00 0.00 C ATOM 1223 CD GLN A 78 -23.932 -9.333 -23.346 1.00 0.00 C ATOM 1224 OE1 GLN A 78 -24.007 -9.221 -24.563 1.00 0.00 O ATOM 1225 NE2 GLN A 78 -25.000 -9.095 -22.613 1.00 0.00 N ATOM 0 H GLN A 78 -20.414 -9.013 -24.035 1.00 0.00 H new ATOM 0 HA GLN A 78 -22.435 -7.059 -23.567 1.00 0.00 H new ATOM 0 HB2 GLN A 78 -20.915 -8.888 -21.657 1.00 0.00 H new ATOM 0 HB3 GLN A 78 -22.420 -8.063 -21.303 1.00 0.00 H new ATOM 0 HG2 GLN A 78 -22.004 -10.283 -23.349 1.00 0.00 H new ATOM 0 HG3 GLN A 78 -22.862 -10.412 -21.826 1.00 0.00 H new ATOM 0 HE21 GLN A 78 -24.952 -9.184 -21.598 1.00 0.00 H new ATOM 0 HE22 GLN A 78 -25.875 -8.821 -23.060 1.00 0.00 H new ATOM 1234 N LEU A 79 -19.439 -6.478 -22.269 1.00 0.00 N ATOM 1235 CA LEU A 79 -18.551 -5.456 -21.713 1.00 0.00 C ATOM 1236 C LEU A 79 -18.420 -4.237 -22.635 1.00 0.00 C ATOM 1237 O LEU A 79 -18.582 -3.117 -22.164 1.00 0.00 O ATOM 1238 CB LEU A 79 -17.170 -6.073 -21.422 1.00 0.00 C ATOM 1239 CG LEU A 79 -17.166 -7.073 -20.251 1.00 0.00 C ATOM 1240 CD1 LEU A 79 -15.842 -7.831 -20.238 1.00 0.00 C ATOM 1241 CD2 LEU A 79 -17.333 -6.376 -18.899 1.00 0.00 C ATOM 0 H LEU A 79 -18.970 -7.367 -22.441 1.00 0.00 H new ATOM 0 HA LEU A 79 -18.992 -5.099 -20.782 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -16.813 -6.578 -22.319 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -16.464 -5.272 -21.205 1.00 0.00 H new ATOM 0 HG LEU A 79 -18.008 -7.750 -20.398 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -15.837 -8.540 -19.410 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -15.722 -8.370 -21.178 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -15.020 -7.125 -20.117 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -17.324 -7.120 -18.103 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -16.513 -5.673 -18.748 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -18.280 -5.837 -18.882 1.00 0.00 H new ATOM 1253 N GLU A 80 -18.159 -4.410 -23.936 1.00 0.00 N ATOM 1254 CA GLU A 80 -18.032 -3.264 -24.854 1.00 0.00 C ATOM 1255 C GLU A 80 -19.341 -2.465 -24.993 1.00 0.00 C ATOM 1256 O GLU A 80 -19.296 -1.238 -25.067 1.00 0.00 O ATOM 1257 CB GLU A 80 -17.430 -3.657 -26.215 1.00 0.00 C ATOM 1258 CG GLU A 80 -18.371 -4.397 -27.173 1.00 0.00 C ATOM 1259 CD GLU A 80 -17.659 -4.722 -28.501 1.00 0.00 C ATOM 1260 OE1 GLU A 80 -17.162 -5.861 -28.673 1.00 0.00 O ATOM 1261 OE2 GLU A 80 -17.600 -3.838 -29.391 1.00 0.00 O ATOM 0 H GLU A 80 -18.032 -5.321 -24.377 1.00 0.00 H new ATOM 0 HA GLU A 80 -17.314 -2.587 -24.391 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -17.077 -2.752 -26.710 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -16.557 -4.284 -26.037 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -18.719 -5.319 -26.707 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -19.252 -3.786 -27.368 1.00 0.00 H new ATOM 1268 N ILE A 81 -20.507 -3.126 -24.967 1.00 0.00 N ATOM 1269 CA ILE A 81 -21.819 -2.455 -25.010 1.00 0.00 C ATOM 1270 C ILE A 81 -22.011 -1.589 -23.751 1.00 0.00 C ATOM 1271 O ILE A 81 -22.390 -0.420 -23.855 1.00 0.00 O ATOM 1272 CB ILE A 81 -22.944 -3.501 -25.219 1.00 0.00 C ATOM 1273 CG1 ILE A 81 -22.903 -3.991 -26.687 1.00 0.00 C ATOM 1274 CG2 ILE A 81 -24.339 -2.933 -24.889 1.00 0.00 C ATOM 1275 CD1 ILE A 81 -23.794 -5.207 -26.973 1.00 0.00 C ATOM 0 H ILE A 81 -20.570 -4.143 -24.915 1.00 0.00 H new ATOM 0 HA ILE A 81 -21.866 -1.776 -25.861 1.00 0.00 H new ATOM 0 HB ILE A 81 -22.770 -4.331 -24.534 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -23.206 -3.172 -27.339 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -21.874 -4.241 -26.946 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -25.093 -3.703 -25.051 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -24.365 -2.613 -23.847 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -24.547 -2.080 -25.535 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -23.706 -5.484 -28.024 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -23.479 -6.044 -26.349 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -24.831 -4.958 -26.749 1.00 0.00 H new ATOM 1287 N ASN A 82 -21.691 -2.122 -22.565 1.00 0.00 N ATOM 1288 CA ASN A 82 -21.750 -1.364 -21.309 1.00 0.00 C ATOM 1289 C ASN A 82 -20.710 -0.225 -21.291 1.00 0.00 C ATOM 1290 O ASN A 82 -21.001 0.873 -20.814 1.00 0.00 O ATOM 1291 CB ASN A 82 -21.579 -2.320 -20.113 1.00 0.00 C ATOM 1292 CG ASN A 82 -22.867 -3.055 -19.782 1.00 0.00 C ATOM 1293 OD1 ASN A 82 -23.687 -2.590 -19.003 1.00 0.00 O ATOM 1294 ND2 ASN A 82 -23.104 -4.209 -20.362 1.00 0.00 N ATOM 0 H ASN A 82 -21.385 -3.088 -22.449 1.00 0.00 H new ATOM 0 HA ASN A 82 -22.729 -0.891 -21.229 1.00 0.00 H new ATOM 0 HB2 ASN A 82 -20.796 -3.044 -20.337 1.00 0.00 H new ATOM 0 HB3 ASN A 82 -21.250 -1.754 -19.241 1.00 0.00 H new ATOM 0 HD21 ASN A 82 -23.968 -4.712 -20.162 1.00 0.00 H new ATOM 0 HD22 ASN A 82 -22.424 -4.602 -21.013 1.00 0.00 H new ATOM 1301 N GLY A 83 -19.514 -0.460 -21.842 1.00 0.00 N ATOM 1302 CA GLY A 83 -18.441 0.530 -21.948 1.00 0.00 C ATOM 1303 C GLY A 83 -18.841 1.715 -22.825 1.00 0.00 C ATOM 1304 O GLY A 83 -18.726 2.862 -22.395 1.00 0.00 O ATOM 0 H GLY A 83 -19.261 -1.366 -22.236 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -18.178 0.888 -20.953 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -17.551 0.057 -22.362 1.00 0.00 H new