USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 542 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot -32:sc= 0.0191 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc=-0.00351 X(o=-0.0035,f=-0.0035) USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 ASN : amide:sc= -1.66 K(o=-1.7,f=-2.4) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 CYS SG : rot -130:sc= -0.156 USER MOD Single : A 78 ASN : amide:sc= -0.243 K(o=-0.24,f=-1.9!) USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 210 N GLU A 19 5.410 -9.607 -4.023 1.00 0.00 N ATOM 211 CA GLU A 19 6.502 -9.481 -3.065 1.00 0.00 C ATOM 212 C GLU A 19 6.134 -8.510 -1.948 1.00 0.00 C ATOM 213 O GLU A 19 5.737 -7.373 -2.205 1.00 0.00 O ATOM 214 CB GLU A 19 7.777 -9.011 -3.772 1.00 0.00 C ATOM 215 CG GLU A 19 8.773 -10.128 -4.034 1.00 0.00 C ATOM 216 CD GLU A 19 9.749 -10.317 -2.890 1.00 0.00 C ATOM 217 OE1 GLU A 19 10.695 -9.509 -2.775 1.00 0.00 O ATOM 218 OE2 GLU A 19 9.568 -11.273 -2.107 1.00 0.00 O ATOM 0 HA GLU A 19 6.682 -10.461 -2.623 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.507 -8.547 -4.720 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.257 -8.242 -3.166 1.00 0.00 H new ATOM 0 HG2 GLU A 19 8.233 -11.059 -4.204 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.327 -9.910 -4.947 1.00 0.00 H new ATOM 225 N VAL A 20 6.268 -8.965 -0.706 1.00 0.00 N ATOM 226 CA VAL A 20 5.950 -8.138 0.451 1.00 0.00 C ATOM 227 C VAL A 20 7.191 -7.879 1.302 1.00 0.00 C ATOM 228 O VAL A 20 7.588 -8.723 2.106 1.00 0.00 O ATOM 229 CB VAL A 20 4.870 -8.796 1.331 1.00 0.00 C ATOM 230 CG1 VAL A 20 4.409 -7.838 2.418 1.00 0.00 C ATOM 231 CG2 VAL A 20 3.695 -9.255 0.480 1.00 0.00 C ATOM 0 H VAL A 20 6.595 -9.903 -0.476 1.00 0.00 H new ATOM 0 HA VAL A 20 5.571 -7.191 0.067 1.00 0.00 H new ATOM 0 HB VAL A 20 5.304 -9.672 1.813 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.646 -8.321 3.029 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.257 -7.564 3.046 1.00 0.00 H new ATOM 0 HG13 VAL A 20 3.993 -6.941 1.960 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.942 -9.717 1.118 1.00 0.00 H new ATOM 0 HG22 VAL A 20 3.259 -8.397 -0.032 1.00 0.00 H new ATOM 0 HG23 VAL A 20 4.041 -9.980 -0.257 1.00 0.00 H new ATOM 241 N PRO A 21 7.825 -6.702 1.140 1.00 0.00 N ATOM 242 CA PRO A 21 9.026 -6.341 1.902 1.00 0.00 C ATOM 243 C PRO A 21 8.827 -6.503 3.405 1.00 0.00 C ATOM 244 O PRO A 21 7.784 -6.975 3.857 1.00 0.00 O ATOM 245 CB PRO A 21 9.245 -4.869 1.547 1.00 0.00 C ATOM 246 CG PRO A 21 8.601 -4.701 0.215 1.00 0.00 C ATOM 247 CD PRO A 21 7.422 -5.634 0.204 1.00 0.00 C ATOM 0 HA PRO A 21 9.873 -6.982 1.656 1.00 0.00 H new ATOM 0 HB2 PRO A 21 8.795 -4.211 2.290 1.00 0.00 H new ATOM 0 HB3 PRO A 21 10.307 -4.625 1.507 1.00 0.00 H new ATOM 0 HG2 PRO A 21 8.284 -3.669 0.062 1.00 0.00 H new ATOM 0 HG3 PRO A 21 9.297 -4.942 -0.588 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.511 -5.134 0.532 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.229 -6.026 -0.794 1.00 0.00 H new ATOM 255 N GLU A 22 9.836 -6.110 4.177 1.00 0.00 N ATOM 256 CA GLU A 22 9.770 -6.214 5.631 1.00 0.00 C ATOM 257 C GLU A 22 9.537 -4.848 6.276 1.00 0.00 C ATOM 258 O GLU A 22 9.707 -4.689 7.485 1.00 0.00 O ATOM 259 CB GLU A 22 11.060 -6.833 6.175 1.00 0.00 C ATOM 260 CG GLU A 22 10.824 -7.868 7.263 1.00 0.00 C ATOM 261 CD GLU A 22 12.055 -8.106 8.116 1.00 0.00 C ATOM 262 OE1 GLU A 22 12.713 -7.116 8.498 1.00 0.00 O ATOM 263 OE2 GLU A 22 12.361 -9.284 8.401 1.00 0.00 O ATOM 0 H GLU A 22 10.707 -5.717 3.821 1.00 0.00 H new ATOM 0 HA GLU A 22 8.926 -6.857 5.882 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.605 -7.299 5.354 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.695 -6.040 6.570 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.003 -7.540 7.900 1.00 0.00 H new ATOM 0 HG3 GLU A 22 10.516 -8.808 6.805 1.00 0.00 H new ATOM 270 N TRP A 23 9.146 -3.866 5.468 1.00 0.00 N ATOM 271 CA TRP A 23 8.893 -2.519 5.971 1.00 0.00 C ATOM 272 C TRP A 23 7.425 -2.132 5.799 1.00 0.00 C ATOM 273 O TRP A 23 6.924 -1.248 6.494 1.00 0.00 O ATOM 274 CB TRP A 23 9.785 -1.507 5.252 1.00 0.00 C ATOM 275 CG TRP A 23 9.740 -1.627 3.759 1.00 0.00 C ATOM 276 CD1 TRP A 23 10.698 -2.168 2.952 1.00 0.00 C ATOM 277 CD2 TRP A 23 8.683 -1.194 2.895 1.00 0.00 C ATOM 278 NE1 TRP A 23 10.302 -2.099 1.637 1.00 0.00 N ATOM 279 CE2 TRP A 23 9.068 -1.505 1.577 1.00 0.00 C ATOM 280 CE3 TRP A 23 7.448 -0.574 3.108 1.00 0.00 C ATOM 281 CZ2 TRP A 23 8.262 -1.217 0.478 1.00 0.00 C ATOM 282 CZ3 TRP A 23 6.649 -0.289 2.016 1.00 0.00 C ATOM 283 CH2 TRP A 23 7.059 -0.611 0.716 1.00 0.00 C ATOM 0 H TRP A 23 8.998 -3.977 4.465 1.00 0.00 H new ATOM 0 HA TRP A 23 9.127 -2.511 7.036 1.00 0.00 H new ATOM 0 HB2 TRP A 23 9.482 -0.500 5.537 1.00 0.00 H new ATOM 0 HB3 TRP A 23 10.814 -1.637 5.588 1.00 0.00 H new ATOM 0 HD1 TRP A 23 11.631 -2.589 3.296 1.00 0.00 H new ATOM 0 HE1 TRP A 23 10.839 -2.435 0.837 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.124 -0.322 4.107 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 8.576 -1.463 -0.526 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 5.693 0.190 2.168 1.00 0.00 H new ATOM 0 HH2 TRP A 23 6.412 -0.376 -0.116 1.00 0.00 H new ATOM 294 N LEU A 24 6.739 -2.796 4.873 1.00 0.00 N ATOM 295 CA LEU A 24 5.332 -2.515 4.617 1.00 0.00 C ATOM 296 C LEU A 24 4.477 -2.864 5.831 1.00 0.00 C ATOM 297 O LEU A 24 4.513 -3.990 6.327 1.00 0.00 O ATOM 298 CB LEU A 24 4.849 -3.301 3.397 1.00 0.00 C ATOM 299 CG LEU A 24 3.554 -2.786 2.765 1.00 0.00 C ATOM 300 CD1 LEU A 24 3.770 -1.412 2.149 1.00 0.00 C ATOM 301 CD2 LEU A 24 3.045 -3.767 1.719 1.00 0.00 C ATOM 0 H LEU A 24 7.135 -3.532 4.288 1.00 0.00 H new ATOM 0 HA LEU A 24 5.230 -1.448 4.419 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.634 -3.288 2.641 1.00 0.00 H new ATOM 0 HB3 LEU A 24 4.704 -4.341 3.688 1.00 0.00 H new ATOM 0 HG LEU A 24 2.801 -2.696 3.548 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.838 -1.062 1.704 1.00 0.00 H new ATOM 0 HD12 LEU A 24 4.088 -0.713 2.922 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.538 -1.475 1.378 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.123 -3.385 1.280 1.00 0.00 H new ATOM 0 HD22 LEU A 24 3.796 -3.889 0.938 1.00 0.00 H new ATOM 0 HD23 LEU A 24 2.851 -4.731 2.189 1.00 0.00 H new ATOM 313 N ARG A 25 3.705 -1.890 6.303 1.00 0.00 N ATOM 314 CA ARG A 25 2.838 -2.093 7.459 1.00 0.00 C ATOM 315 C ARG A 25 2.017 -0.839 7.749 1.00 0.00 C ATOM 316 O ARG A 25 2.289 0.232 7.207 1.00 0.00 O ATOM 317 CB ARG A 25 3.669 -2.468 8.688 1.00 0.00 C ATOM 318 CG ARG A 25 4.836 -1.527 8.944 1.00 0.00 C ATOM 319 CD ARG A 25 5.387 -1.691 10.352 1.00 0.00 C ATOM 320 NE ARG A 25 6.742 -2.239 10.349 1.00 0.00 N ATOM 321 CZ ARG A 25 7.375 -2.657 11.442 1.00 0.00 C ATOM 322 NH1 ARG A 25 6.781 -2.593 12.627 1.00 0.00 N ATOM 323 NH2 ARG A 25 8.606 -3.142 11.350 1.00 0.00 N ATOM 0 H ARG A 25 3.662 -0.953 5.903 1.00 0.00 H new ATOM 0 HA ARG A 25 2.154 -2.910 7.230 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.022 -2.477 9.565 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.051 -3.481 8.563 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.626 -1.720 8.218 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.513 -0.497 8.797 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.388 -0.724 10.856 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.731 -2.348 10.924 1.00 0.00 H new ATOM 0 HE ARG A 25 7.231 -2.305 9.456 1.00 0.00 H new ATOM 0 HH11 ARG A 25 5.834 -2.222 12.703 1.00 0.00 H new ATOM 0 HH12 ARG A 25 7.271 -2.915 13.461 1.00 0.00 H new ATOM 0 HH21 ARG A 25 9.067 -3.194 10.442 1.00 0.00 H new ATOM 0 HH22 ARG A 25 9.092 -3.463 12.188 1.00 0.00 H new ATOM 337 N GLU A 26 1.012 -0.983 8.607 1.00 0.00 N ATOM 338 CA GLU A 26 0.149 0.137 8.969 1.00 0.00 C ATOM 339 C GLU A 26 0.965 1.290 9.549 1.00 0.00 C ATOM 340 O GLU A 26 1.794 1.091 10.437 1.00 0.00 O ATOM 341 CB GLU A 26 -0.910 -0.314 9.977 1.00 0.00 C ATOM 342 CG GLU A 26 -2.261 -0.612 9.347 1.00 0.00 C ATOM 343 CD GLU A 26 -3.113 -1.529 10.202 1.00 0.00 C ATOM 344 OE1 GLU A 26 -3.197 -1.293 11.424 1.00 0.00 O ATOM 345 OE2 GLU A 26 -3.696 -2.485 9.647 1.00 0.00 O ATOM 0 H GLU A 26 0.775 -1.863 9.064 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.347 0.488 8.064 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.553 -1.206 10.491 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.034 0.462 10.733 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.795 0.324 9.181 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -2.109 -1.070 8.370 1.00 0.00 H new ATOM 352 N GLY A 27 0.722 2.493 9.039 1.00 0.00 N ATOM 353 CA GLY A 27 1.441 3.658 9.518 1.00 0.00 C ATOM 354 C GLY A 27 2.807 3.803 8.876 1.00 0.00 C ATOM 355 O GLY A 27 3.750 4.280 9.507 1.00 0.00 O ATOM 0 H GLY A 27 0.041 2.681 8.304 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.852 4.553 9.316 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.557 3.590 10.600 1.00 0.00 H new ATOM 359 N GLU A 28 2.913 3.388 7.618 1.00 0.00 N ATOM 360 CA GLU A 28 4.173 3.473 6.889 1.00 0.00 C ATOM 361 C GLU A 28 3.999 4.250 5.587 1.00 0.00 C ATOM 362 O GLU A 28 3.242 3.843 4.707 1.00 0.00 O ATOM 363 CB GLU A 28 4.710 2.071 6.592 1.00 0.00 C ATOM 364 CG GLU A 28 6.217 1.952 6.744 1.00 0.00 C ATOM 365 CD GLU A 28 6.666 2.036 8.189 1.00 0.00 C ATOM 366 OE1 GLU A 28 6.724 0.980 8.855 1.00 0.00 O ATOM 367 OE2 GLU A 28 6.958 3.156 8.656 1.00 0.00 O ATOM 0 H GLU A 28 2.142 2.990 7.082 1.00 0.00 H new ATOM 0 HA GLU A 28 4.890 4.005 7.515 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.228 1.357 7.261 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.433 1.793 5.575 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.547 1.004 6.319 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.700 2.744 6.171 1.00 0.00 H new ATOM 374 N PHE A 29 4.705 5.370 5.474 1.00 0.00 N ATOM 375 CA PHE A 29 4.629 6.204 4.280 1.00 0.00 C ATOM 376 C PHE A 29 5.142 5.452 3.058 1.00 0.00 C ATOM 377 O PHE A 29 6.203 4.827 3.100 1.00 0.00 O ATOM 378 CB PHE A 29 5.435 7.489 4.477 1.00 0.00 C ATOM 379 CG PHE A 29 4.637 8.613 5.072 1.00 0.00 C ATOM 380 CD1 PHE A 29 3.562 9.154 4.387 1.00 0.00 C ATOM 381 CD2 PHE A 29 4.963 9.129 6.317 1.00 0.00 C ATOM 382 CE1 PHE A 29 2.825 10.189 4.933 1.00 0.00 C ATOM 383 CE2 PHE A 29 4.231 10.163 6.867 1.00 0.00 C ATOM 384 CZ PHE A 29 3.160 10.694 6.174 1.00 0.00 C ATOM 0 H PHE A 29 5.336 5.721 6.194 1.00 0.00 H new ATOM 0 HA PHE A 29 3.583 6.461 4.114 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.287 7.278 5.123 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.835 7.808 3.515 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.296 8.763 3.416 1.00 0.00 H new ATOM 0 HD2 PHE A 29 5.799 8.718 6.863 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.988 10.602 4.389 1.00 0.00 H new ATOM 0 HE2 PHE A 29 4.495 10.556 7.838 1.00 0.00 H new ATOM 0 HZ PHE A 29 2.586 11.502 6.602 1.00 0.00 H new ATOM 394 N VAL A 30 4.383 5.514 1.969 1.00 0.00 N ATOM 395 CA VAL A 30 4.762 4.838 0.734 1.00 0.00 C ATOM 396 C VAL A 30 4.293 5.621 -0.487 1.00 0.00 C ATOM 397 O VAL A 30 3.595 6.628 -0.362 1.00 0.00 O ATOM 398 CB VAL A 30 4.178 3.414 0.671 1.00 0.00 C ATOM 399 CG1 VAL A 30 4.892 2.499 1.655 1.00 0.00 C ATOM 400 CG2 VAL A 30 2.682 3.438 0.943 1.00 0.00 C ATOM 0 H VAL A 30 3.502 6.025 1.917 1.00 0.00 H new ATOM 0 HA VAL A 30 5.850 4.777 0.728 1.00 0.00 H new ATOM 0 HB VAL A 30 4.335 3.021 -0.334 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.466 1.498 1.596 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.953 2.457 1.409 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.770 2.886 2.667 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.287 2.423 0.894 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.499 3.851 1.935 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.186 4.057 0.195 1.00 0.00 H new ATOM 410 N THR A 31 4.681 5.152 -1.669 1.00 0.00 N ATOM 411 CA THR A 31 4.301 5.808 -2.914 1.00 0.00 C ATOM 412 C THR A 31 3.580 4.836 -3.842 1.00 0.00 C ATOM 413 O THR A 31 3.803 3.627 -3.785 1.00 0.00 O ATOM 414 CB THR A 31 5.538 6.376 -3.613 1.00 0.00 C ATOM 415 OG1 THR A 31 5.182 6.995 -4.836 1.00 0.00 O ATOM 416 CG2 THR A 31 6.587 5.328 -3.917 1.00 0.00 C ATOM 0 H THR A 31 5.258 4.320 -1.790 1.00 0.00 H new ATOM 0 HA THR A 31 3.621 6.625 -2.673 1.00 0.00 H new ATOM 0 HB THR A 31 5.960 7.097 -2.913 1.00 0.00 H new ATOM 0 HG1 THR A 31 5.986 7.353 -5.267 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.437 5.797 -4.412 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.919 4.865 -2.988 1.00 0.00 H new ATOM 0 HG23 THR A 31 6.162 4.566 -4.570 1.00 0.00 H new ATOM 424 N VAL A 32 2.716 5.372 -4.696 1.00 0.00 N ATOM 425 CA VAL A 32 1.962 4.551 -5.637 1.00 0.00 C ATOM 426 C VAL A 32 2.503 4.702 -7.054 1.00 0.00 C ATOM 427 O VAL A 32 1.752 4.635 -8.028 1.00 0.00 O ATOM 428 CB VAL A 32 0.465 4.916 -5.628 1.00 0.00 C ATOM 429 CG1 VAL A 32 -0.338 3.898 -6.423 1.00 0.00 C ATOM 430 CG2 VAL A 32 -0.053 5.018 -4.201 1.00 0.00 C ATOM 0 H VAL A 32 2.520 6.371 -4.757 1.00 0.00 H new ATOM 0 HA VAL A 32 2.077 3.516 -5.316 1.00 0.00 H new ATOM 0 HB VAL A 32 0.345 5.890 -6.103 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.393 4.172 -6.405 1.00 0.00 H new ATOM 0 HG12 VAL A 32 0.015 3.881 -7.454 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.213 2.910 -5.980 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.112 5.277 -4.216 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.080 4.061 -3.696 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.501 5.790 -3.667 1.00 0.00 H new ATOM 496 N THR A 37 0.855 9.902 -3.412 1.00 0.00 N ATOM 497 CA THR A 37 1.396 9.176 -2.269 1.00 0.00 C ATOM 498 C THR A 37 0.307 8.894 -1.239 1.00 0.00 C ATOM 499 O THR A 37 -0.688 9.615 -1.158 1.00 0.00 O ATOM 500 CB THR A 37 2.531 9.973 -1.624 1.00 0.00 C ATOM 501 OG1 THR A 37 2.042 11.177 -1.063 1.00 0.00 O ATOM 502 CG2 THR A 37 3.636 10.332 -2.594 1.00 0.00 C ATOM 0 HA THR A 37 1.788 8.224 -2.627 1.00 0.00 H new ATOM 0 HB THR A 37 2.943 9.319 -0.855 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.282 11.499 -1.591 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.409 10.896 -2.072 1.00 0.00 H new ATOM 0 HG22 THR A 37 4.068 9.420 -3.007 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.228 10.938 -3.403 1.00 0.00 H new ATOM 510 N GLY A 38 0.500 7.840 -0.452 1.00 0.00 N ATOM 511 CA GLY A 38 -0.474 7.482 0.561 1.00 0.00 C ATOM 512 C GLY A 38 0.115 6.609 1.651 1.00 0.00 C ATOM 513 O GLY A 38 1.054 5.849 1.409 1.00 0.00 O ATOM 0 H GLY A 38 1.314 7.228 -0.498 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.880 8.390 1.007 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.306 6.958 0.091 1.00 0.00 H new ATOM 517 N VAL A 39 -0.437 6.716 2.855 1.00 0.00 N ATOM 518 CA VAL A 39 0.036 5.931 3.988 1.00 0.00 C ATOM 519 C VAL A 39 -0.706 4.602 4.085 1.00 0.00 C ATOM 520 O VAL A 39 -1.910 4.534 3.838 1.00 0.00 O ATOM 521 CB VAL A 39 -0.132 6.699 5.313 1.00 0.00 C ATOM 522 CG1 VAL A 39 0.498 5.930 6.464 1.00 0.00 C ATOM 523 CG2 VAL A 39 0.468 8.092 5.202 1.00 0.00 C ATOM 0 H VAL A 39 -1.214 7.340 3.071 1.00 0.00 H new ATOM 0 HA VAL A 39 1.096 5.740 3.820 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.198 6.801 5.518 1.00 0.00 H new ATOM 0 HG11 VAL A 39 0.368 6.490 7.390 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.017 4.957 6.558 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.562 5.791 6.270 1.00 0.00 H new ATOM 0 HG21 VAL A 39 0.340 8.620 6.147 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.530 8.013 4.971 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.036 8.643 4.408 1.00 0.00 H new ATOM 533 N VAL A 40 0.019 3.549 4.448 1.00 0.00 N ATOM 534 CA VAL A 40 -0.573 2.224 4.578 1.00 0.00 C ATOM 535 C VAL A 40 -1.561 2.176 5.740 1.00 0.00 C ATOM 536 O VAL A 40 -1.215 2.496 6.876 1.00 0.00 O ATOM 537 CB VAL A 40 0.505 1.144 4.792 1.00 0.00 C ATOM 538 CG1 VAL A 40 -0.111 -0.246 4.737 1.00 0.00 C ATOM 539 CG2 VAL A 40 1.614 1.287 3.759 1.00 0.00 C ATOM 0 H VAL A 40 1.017 3.588 4.657 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.100 2.021 3.646 1.00 0.00 H new ATOM 0 HB VAL A 40 0.941 1.282 5.782 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.666 -0.995 4.890 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.865 -0.341 5.518 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.576 -0.400 3.763 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.367 0.517 3.925 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.196 1.177 2.759 1.00 0.00 H new ATOM 0 HG23 VAL A 40 2.074 2.270 3.853 1.00 0.00 H new ATOM 549 N ARG A 41 -2.793 1.773 5.445 1.00 0.00 N ATOM 550 CA ARG A 41 -3.832 1.683 6.465 1.00 0.00 C ATOM 551 C ARG A 41 -4.206 0.230 6.735 1.00 0.00 C ATOM 552 O ARG A 41 -4.525 -0.140 7.865 1.00 0.00 O ATOM 553 CB ARG A 41 -5.073 2.464 6.029 1.00 0.00 C ATOM 554 CG ARG A 41 -4.928 3.969 6.179 1.00 0.00 C ATOM 555 CD ARG A 41 -5.011 4.395 7.635 1.00 0.00 C ATOM 556 NE ARG A 41 -5.266 5.827 7.774 1.00 0.00 N ATOM 557 CZ ARG A 41 -5.760 6.390 8.874 1.00 0.00 C ATOM 558 NH1 ARG A 41 -6.052 5.647 9.935 1.00 0.00 N ATOM 559 NH2 ARG A 41 -5.961 7.700 8.915 1.00 0.00 N ATOM 0 H ARG A 41 -3.096 1.504 4.509 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.440 2.117 7.385 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.292 2.230 4.987 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -5.928 2.129 6.617 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.973 4.287 5.760 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.710 4.469 5.607 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.804 3.836 8.131 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.079 4.142 8.140 1.00 0.00 H new ATOM 0 HE ARG A 41 -5.053 6.431 6.980 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -5.898 4.639 9.910 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.430 6.084 10.775 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.737 8.276 8.104 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -6.340 8.132 9.758 1.00 0.00 H new ATOM 573 N TYR A 42 -4.167 -0.590 5.690 1.00 0.00 N ATOM 574 CA TYR A 42 -4.505 -2.003 5.815 1.00 0.00 C ATOM 575 C TYR A 42 -3.474 -2.875 5.106 1.00 0.00 C ATOM 576 O TYR A 42 -2.874 -2.463 4.112 1.00 0.00 O ATOM 577 CB TYR A 42 -5.897 -2.267 5.239 1.00 0.00 C ATOM 578 CG TYR A 42 -6.582 -3.476 5.837 1.00 0.00 C ATOM 579 CD1 TYR A 42 -7.356 -3.363 6.985 1.00 0.00 C ATOM 580 CD2 TYR A 42 -6.453 -4.730 5.254 1.00 0.00 C ATOM 581 CE1 TYR A 42 -7.983 -4.465 7.534 1.00 0.00 C ATOM 582 CE2 TYR A 42 -7.078 -5.837 5.797 1.00 0.00 C ATOM 583 CZ TYR A 42 -7.841 -5.699 6.936 1.00 0.00 C ATOM 584 OH TYR A 42 -8.464 -6.799 7.481 1.00 0.00 O ATOM 0 H TYR A 42 -3.905 -0.301 4.748 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.502 -2.260 6.874 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -6.521 -1.389 5.403 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -5.815 -2.403 4.161 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -7.470 -2.398 7.456 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -5.855 -4.842 4.362 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -8.581 -4.360 8.427 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -6.969 -6.805 5.331 1.00 0.00 H new ATOM 0 HH TYR A 42 -8.264 -7.590 6.939 1.00 0.00 H new ATOM 594 N VAL A 43 -3.274 -4.082 5.622 1.00 0.00 N ATOM 595 CA VAL A 43 -2.317 -5.015 5.040 1.00 0.00 C ATOM 596 C VAL A 43 -2.721 -6.459 5.315 1.00 0.00 C ATOM 597 O VAL A 43 -2.485 -6.983 6.404 1.00 0.00 O ATOM 598 CB VAL A 43 -0.896 -4.779 5.586 1.00 0.00 C ATOM 599 CG1 VAL A 43 0.116 -5.621 4.824 1.00 0.00 C ATOM 600 CG2 VAL A 43 -0.535 -3.303 5.514 1.00 0.00 C ATOM 0 H VAL A 43 -3.763 -4.438 6.444 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.318 -4.838 3.965 1.00 0.00 H new ATOM 0 HB VAL A 43 -0.873 -5.084 6.632 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.114 -5.441 5.224 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.133 -6.676 4.933 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.094 -5.350 3.768 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.472 -3.155 5.904 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.575 -2.969 4.477 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.243 -2.726 6.109 1.00 0.00 H new ATOM 610 N GLY A 44 -3.332 -7.097 4.323 1.00 0.00 N ATOM 611 CA GLY A 44 -3.760 -8.474 4.479 1.00 0.00 C ATOM 612 C GLY A 44 -4.647 -8.939 3.339 1.00 0.00 C ATOM 613 O GLY A 44 -5.148 -8.121 2.567 1.00 0.00 O ATOM 0 H GLY A 44 -3.539 -6.685 3.413 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.883 -9.119 4.539 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.299 -8.579 5.421 1.00 0.00 H new ATOM 617 N PRO A 45 -4.863 -10.259 3.207 1.00 0.00 N ATOM 618 CA PRO A 45 -5.702 -10.819 2.143 1.00 0.00 C ATOM 619 C PRO A 45 -7.087 -10.182 2.101 1.00 0.00 C ATOM 620 O PRO A 45 -7.431 -9.362 2.953 1.00 0.00 O ATOM 621 CB PRO A 45 -5.809 -12.301 2.513 1.00 0.00 C ATOM 622 CG PRO A 45 -4.595 -12.576 3.331 1.00 0.00 C ATOM 623 CD PRO A 45 -4.306 -11.307 4.083 1.00 0.00 C ATOM 0 HA PRO A 45 -5.276 -10.642 1.156 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.720 -12.504 3.076 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.838 -12.930 1.623 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.766 -13.406 4.017 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.753 -12.855 2.698 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.780 -11.304 5.065 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -3.237 -11.170 4.245 1.00 0.00 H new ATOM 631 N ALA A 46 -7.879 -10.564 1.104 1.00 0.00 N ATOM 632 CA ALA A 46 -9.227 -10.031 0.951 1.00 0.00 C ATOM 633 C ALA A 46 -10.242 -11.154 0.757 1.00 0.00 C ATOM 634 O ALA A 46 -9.904 -12.332 0.860 1.00 0.00 O ATOM 635 CB ALA A 46 -9.280 -9.061 -0.220 1.00 0.00 C ATOM 0 H ALA A 46 -7.610 -11.241 0.390 1.00 0.00 H new ATOM 0 HA ALA A 46 -9.486 -9.496 1.864 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -10.292 -8.670 -0.323 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.589 -8.237 -0.041 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.996 -9.580 -1.136 1.00 0.00 H new ATOM 641 N ASP A 47 -11.486 -10.778 0.477 1.00 0.00 N ATOM 642 CA ASP A 47 -12.550 -11.754 0.270 1.00 0.00 C ATOM 643 C ASP A 47 -13.003 -11.765 -1.187 1.00 0.00 C ATOM 644 O ASP A 47 -13.389 -12.805 -1.719 1.00 0.00 O ATOM 645 CB ASP A 47 -13.738 -11.444 1.183 1.00 0.00 C ATOM 646 CG ASP A 47 -14.386 -12.700 1.731 1.00 0.00 C ATOM 647 OD1 ASP A 47 -14.253 -13.765 1.091 1.00 0.00 O ATOM 648 OD2 ASP A 47 -15.028 -12.620 2.799 1.00 0.00 O ATOM 0 H ASP A 47 -11.782 -9.806 0.388 1.00 0.00 H new ATOM 0 HA ASP A 47 -12.158 -12.741 0.517 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -13.403 -10.819 2.011 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -14.479 -10.868 0.629 1.00 0.00 H new ATOM 653 N PHE A 48 -12.951 -10.601 -1.827 1.00 0.00 N ATOM 654 CA PHE A 48 -13.357 -10.477 -3.223 1.00 0.00 C ATOM 655 C PHE A 48 -12.320 -11.108 -4.147 1.00 0.00 C ATOM 656 O PHE A 48 -12.662 -11.670 -5.187 1.00 0.00 O ATOM 657 CB PHE A 48 -13.556 -9.006 -3.588 1.00 0.00 C ATOM 658 CG PHE A 48 -12.303 -8.184 -3.483 1.00 0.00 C ATOM 659 CD1 PHE A 48 -11.943 -7.597 -2.281 1.00 0.00 C ATOM 660 CD2 PHE A 48 -11.485 -8.000 -4.585 1.00 0.00 C ATOM 661 CE1 PHE A 48 -10.790 -6.841 -2.180 1.00 0.00 C ATOM 662 CE2 PHE A 48 -10.330 -7.246 -4.492 1.00 0.00 C ATOM 663 CZ PHE A 48 -9.983 -6.666 -3.287 1.00 0.00 C ATOM 0 H PHE A 48 -12.632 -9.731 -1.402 1.00 0.00 H new ATOM 0 HA PHE A 48 -14.301 -11.006 -3.351 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -13.938 -8.942 -4.607 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -14.317 -8.578 -2.935 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -12.571 -7.732 -1.412 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -11.753 -8.451 -5.529 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -10.521 -6.388 -1.237 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -9.701 -7.111 -5.359 1.00 0.00 H new ATOM 0 HZ PHE A 48 -9.081 -6.076 -3.211 1.00 0.00 H new ATOM 673 N GLN A 49 -11.053 -11.009 -3.760 1.00 0.00 N ATOM 674 CA GLN A 49 -9.965 -11.570 -4.553 1.00 0.00 C ATOM 675 C GLN A 49 -8.896 -12.185 -3.655 1.00 0.00 C ATOM 676 O GLN A 49 -8.730 -11.779 -2.505 1.00 0.00 O ATOM 677 CB GLN A 49 -9.344 -10.490 -5.440 1.00 0.00 C ATOM 678 CG GLN A 49 -10.002 -10.370 -6.805 1.00 0.00 C ATOM 679 CD GLN A 49 -9.552 -11.455 -7.764 1.00 0.00 C ATOM 680 OE1 GLN A 49 -8.394 -11.490 -8.181 1.00 0.00 O ATOM 681 NE2 GLN A 49 -10.468 -12.347 -8.120 1.00 0.00 N ATOM 0 H GLN A 49 -10.754 -10.546 -2.902 1.00 0.00 H new ATOM 0 HA GLN A 49 -10.378 -12.357 -5.185 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -9.410 -9.530 -4.929 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -8.284 -10.707 -5.575 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -11.085 -10.419 -6.688 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.771 -9.394 -7.232 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -11.416 -12.280 -7.750 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -10.224 -13.100 -8.764 1.00 0.00 H new ATOM 690 N GLU A 50 -8.175 -13.165 -4.188 1.00 0.00 N ATOM 691 CA GLU A 50 -7.121 -13.835 -3.435 1.00 0.00 C ATOM 692 C GLU A 50 -5.870 -12.967 -3.361 1.00 0.00 C ATOM 693 O GLU A 50 -5.839 -11.859 -3.896 1.00 0.00 O ATOM 694 CB GLU A 50 -6.787 -15.183 -4.077 1.00 0.00 C ATOM 695 CG GLU A 50 -7.907 -16.204 -3.969 1.00 0.00 C ATOM 696 CD GLU A 50 -7.402 -17.590 -3.617 1.00 0.00 C ATOM 697 OE1 GLU A 50 -6.219 -17.878 -3.893 1.00 0.00 O ATOM 698 OE2 GLU A 50 -8.191 -18.387 -3.067 1.00 0.00 O ATOM 0 H GLU A 50 -8.301 -13.513 -5.138 1.00 0.00 H new ATOM 0 HA GLU A 50 -7.482 -14.004 -2.421 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -6.551 -15.026 -5.129 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -5.891 -15.588 -3.606 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.619 -15.878 -3.211 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.446 -16.247 -4.915 1.00 0.00 H new ATOM 705 N GLY A 51 -4.839 -13.478 -2.696 1.00 0.00 N ATOM 706 CA GLY A 51 -3.599 -12.737 -2.565 1.00 0.00 C ATOM 707 C GLY A 51 -3.654 -11.711 -1.449 1.00 0.00 C ATOM 708 O GLY A 51 -4.720 -11.445 -0.894 1.00 0.00 O ATOM 0 H GLY A 51 -4.841 -14.393 -2.245 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.781 -13.433 -2.375 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -3.378 -12.234 -3.507 1.00 0.00 H new ATOM 712 N THR A 52 -2.502 -11.135 -1.120 1.00 0.00 N ATOM 713 CA THR A 52 -2.423 -10.134 -0.063 1.00 0.00 C ATOM 714 C THR A 52 -2.649 -8.733 -0.622 1.00 0.00 C ATOM 715 O THR A 52 -2.040 -8.346 -1.619 1.00 0.00 O ATOM 716 CB THR A 52 -1.064 -10.205 0.635 1.00 0.00 C ATOM 717 OG1 THR A 52 -0.747 -11.543 0.980 1.00 0.00 O ATOM 718 CG2 THR A 52 -0.996 -9.377 1.900 1.00 0.00 C ATOM 0 H THR A 52 -1.611 -11.344 -1.570 1.00 0.00 H new ATOM 0 HA THR A 52 -3.208 -10.346 0.663 1.00 0.00 H new ATOM 0 HB THR A 52 -0.350 -9.801 -0.083 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.126 -11.568 1.424 1.00 0.00 H new ATOM 0 HG21 THR A 52 -0.005 -9.472 2.344 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.187 -8.331 1.661 1.00 0.00 H new ATOM 0 HG23 THR A 52 -1.746 -9.731 2.607 1.00 0.00 H new ATOM 726 N TRP A 53 -3.528 -7.977 0.029 1.00 0.00 N ATOM 727 CA TRP A 53 -3.834 -6.618 -0.402 1.00 0.00 C ATOM 728 C TRP A 53 -3.298 -5.596 0.597 1.00 0.00 C ATOM 729 O TRP A 53 -3.161 -5.888 1.785 1.00 0.00 O ATOM 730 CB TRP A 53 -5.344 -6.441 -0.567 1.00 0.00 C ATOM 731 CG TRP A 53 -5.904 -7.177 -1.746 1.00 0.00 C ATOM 732 CD1 TRP A 53 -6.368 -8.461 -1.766 1.00 0.00 C ATOM 733 CD2 TRP A 53 -6.059 -6.672 -3.077 1.00 0.00 C ATOM 734 NE1 TRP A 53 -6.801 -8.785 -3.029 1.00 0.00 N ATOM 735 CE2 TRP A 53 -6.622 -7.704 -3.851 1.00 0.00 C ATOM 736 CE3 TRP A 53 -5.776 -5.448 -3.689 1.00 0.00 C ATOM 737 CZ2 TRP A 53 -6.908 -7.549 -5.206 1.00 0.00 C ATOM 738 CZ3 TRP A 53 -6.060 -5.295 -5.033 1.00 0.00 C ATOM 739 CH2 TRP A 53 -6.621 -6.340 -5.779 1.00 0.00 C ATOM 0 H TRP A 53 -4.040 -8.283 0.856 1.00 0.00 H new ATOM 0 HA TRP A 53 -3.347 -6.451 -1.363 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -5.844 -6.786 0.338 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -5.569 -5.379 -0.670 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -6.391 -9.124 -0.914 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -7.192 -9.684 -3.309 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -5.343 -4.637 -3.122 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -7.340 -8.353 -5.783 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -5.846 -4.353 -5.517 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -6.831 -6.188 -6.827 1.00 0.00 H new ATOM 750 N VAL A 54 -2.996 -4.398 0.107 1.00 0.00 N ATOM 751 CA VAL A 54 -2.475 -3.335 0.957 1.00 0.00 C ATOM 752 C VAL A 54 -3.237 -2.032 0.737 1.00 0.00 C ATOM 753 O VAL A 54 -3.192 -1.451 -0.346 1.00 0.00 O ATOM 754 CB VAL A 54 -0.977 -3.089 0.696 1.00 0.00 C ATOM 755 CG1 VAL A 54 -0.407 -2.121 1.722 1.00 0.00 C ATOM 756 CG2 VAL A 54 -0.211 -4.403 0.709 1.00 0.00 C ATOM 0 H VAL A 54 -3.103 -4.140 -0.874 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.608 -3.662 1.988 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.868 -2.640 -0.291 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.652 -1.960 1.521 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -0.937 -1.171 1.659 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.527 -2.538 2.722 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.846 -4.210 0.523 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.327 -4.882 1.681 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.602 -5.060 -0.068 1.00 0.00 H new ATOM 766 N GLY A 55 -3.936 -1.580 1.774 1.00 0.00 N ATOM 767 CA GLY A 55 -4.698 -0.349 1.673 1.00 0.00 C ATOM 768 C GLY A 55 -3.827 0.885 1.807 1.00 0.00 C ATOM 769 O GLY A 55 -3.056 1.009 2.757 1.00 0.00 O ATOM 0 H GLY A 55 -3.988 -2.044 2.681 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.215 -0.323 0.714 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.464 -0.335 2.448 1.00 0.00 H new ATOM 773 N VAL A 56 -3.952 1.800 0.850 1.00 0.00 N ATOM 774 CA VAL A 56 -3.170 3.031 0.863 1.00 0.00 C ATOM 775 C VAL A 56 -4.065 4.246 1.081 1.00 0.00 C ATOM 776 O VAL A 56 -5.095 4.397 0.424 1.00 0.00 O ATOM 777 CB VAL A 56 -2.387 3.214 -0.450 1.00 0.00 C ATOM 778 CG1 VAL A 56 -1.425 4.386 -0.341 1.00 0.00 C ATOM 779 CG2 VAL A 56 -1.645 1.937 -0.812 1.00 0.00 C ATOM 0 H VAL A 56 -4.587 1.712 0.057 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.464 2.949 1.689 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.098 3.432 -1.247 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -0.881 4.499 -1.279 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -1.985 5.298 -0.134 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.718 4.203 0.468 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.098 2.086 -1.743 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -0.945 1.685 -0.016 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.360 1.124 -0.938 1.00 0.00 H new ATOM 789 N GLU A 57 -3.666 5.111 2.009 1.00 0.00 N ATOM 790 CA GLU A 57 -4.432 6.313 2.313 1.00 0.00 C ATOM 791 C GLU A 57 -3.767 7.549 1.716 1.00 0.00 C ATOM 792 O GLU A 57 -2.728 8.001 2.196 1.00 0.00 O ATOM 793 CB GLU A 57 -4.578 6.482 3.826 1.00 0.00 C ATOM 794 CG GLU A 57 -5.683 7.445 4.228 1.00 0.00 C ATOM 795 CD GLU A 57 -5.190 8.872 4.370 1.00 0.00 C ATOM 796 OE1 GLU A 57 -4.222 9.093 5.128 1.00 0.00 O ATOM 797 OE2 GLU A 57 -5.771 9.769 3.724 1.00 0.00 O ATOM 0 H GLU A 57 -2.817 5.001 2.563 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.421 6.203 1.868 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -4.776 5.508 4.274 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.632 6.836 4.236 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.478 7.412 3.483 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.118 7.119 5.173 1.00 0.00 H new ATOM 804 N LEU A 58 -4.374 8.091 0.665 1.00 0.00 N ATOM 805 CA LEU A 58 -3.842 9.275 0.003 1.00 0.00 C ATOM 806 C LEU A 58 -4.386 10.547 0.644 1.00 0.00 C ATOM 807 O LEU A 58 -5.508 10.567 1.152 1.00 0.00 O ATOM 808 CB LEU A 58 -4.190 9.252 -1.487 1.00 0.00 C ATOM 809 CG LEU A 58 -4.067 7.884 -2.160 1.00 0.00 C ATOM 810 CD1 LEU A 58 -4.833 7.864 -3.474 1.00 0.00 C ATOM 811 CD2 LEU A 58 -2.605 7.533 -2.388 1.00 0.00 C ATOM 0 H LEU A 58 -5.234 7.729 0.254 1.00 0.00 H new ATOM 0 HA LEU A 58 -2.758 9.267 0.116 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -5.212 9.610 -1.611 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -3.540 9.956 -2.007 1.00 0.00 H new ATOM 0 HG LEU A 58 -4.502 7.134 -1.499 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -4.734 6.883 -3.938 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -5.886 8.071 -3.284 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -4.429 8.624 -4.142 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -2.536 6.557 -2.868 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -2.146 8.286 -3.029 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -2.084 7.505 -1.431 1.00 0.00 H new ATOM 823 N ASP A 59 -3.585 11.607 0.619 1.00 0.00 N ATOM 824 CA ASP A 59 -3.988 12.883 1.199 1.00 0.00 C ATOM 825 C ASP A 59 -4.519 13.828 0.126 1.00 0.00 C ATOM 826 O ASP A 59 -4.429 15.048 0.260 1.00 0.00 O ATOM 827 CB ASP A 59 -2.809 13.531 1.928 1.00 0.00 C ATOM 828 CG ASP A 59 -2.648 13.012 3.343 1.00 0.00 C ATOM 829 OD1 ASP A 59 -3.665 12.921 4.062 1.00 0.00 O ATOM 830 OD2 ASP A 59 -1.504 12.699 3.733 1.00 0.00 O ATOM 0 H ASP A 59 -2.653 11.608 0.204 1.00 0.00 H new ATOM 0 HA ASP A 59 -4.788 12.691 1.914 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -1.892 13.344 1.369 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.951 14.611 1.954 1.00 0.00 H new ATOM 835 N LEU A 60 -5.075 13.257 -0.939 1.00 0.00 N ATOM 836 CA LEU A 60 -5.620 14.049 -2.034 1.00 0.00 C ATOM 837 C LEU A 60 -6.717 13.279 -2.767 1.00 0.00 C ATOM 838 O LEU A 60 -6.679 12.050 -2.842 1.00 0.00 O ATOM 839 CB LEU A 60 -4.511 14.433 -3.017 1.00 0.00 C ATOM 840 CG LEU A 60 -3.457 15.393 -2.463 1.00 0.00 C ATOM 841 CD1 LEU A 60 -2.285 15.510 -3.425 1.00 0.00 C ATOM 842 CD2 LEU A 60 -4.068 16.760 -2.195 1.00 0.00 C ATOM 0 H LEU A 60 -5.159 12.248 -1.066 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.053 14.956 -1.612 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.012 13.523 -3.351 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -4.967 14.887 -3.896 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.088 14.992 -1.519 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -1.545 16.197 -3.015 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -1.831 14.529 -3.566 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -2.638 15.888 -4.384 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -3.303 17.430 -1.801 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -4.465 17.169 -3.124 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -4.874 16.662 -1.468 1.00 0.00 H new ATOM 854 N PRO A 61 -7.711 13.994 -3.323 1.00 0.00 N ATOM 855 CA PRO A 61 -8.818 13.370 -4.053 1.00 0.00 C ATOM 856 C PRO A 61 -8.364 12.754 -5.372 1.00 0.00 C ATOM 857 O PRO A 61 -8.536 13.347 -6.438 1.00 0.00 O ATOM 858 CB PRO A 61 -9.780 14.533 -4.307 1.00 0.00 C ATOM 859 CG PRO A 61 -8.920 15.749 -4.280 1.00 0.00 C ATOM 860 CD PRO A 61 -7.832 15.463 -3.283 1.00 0.00 C ATOM 0 HA PRO A 61 -9.264 12.548 -3.493 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -10.285 14.427 -5.267 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -10.555 14.580 -3.542 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -8.502 15.954 -5.266 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -9.495 16.628 -3.989 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -6.897 15.951 -3.557 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.096 15.818 -2.287 1.00 0.00 H new ATOM 868 N SER A 62 -7.783 11.562 -5.294 1.00 0.00 N ATOM 869 CA SER A 62 -7.303 10.866 -6.482 1.00 0.00 C ATOM 870 C SER A 62 -7.294 9.356 -6.264 1.00 0.00 C ATOM 871 O SER A 62 -6.411 8.654 -6.755 1.00 0.00 O ATOM 872 CB SER A 62 -5.899 11.349 -6.847 1.00 0.00 C ATOM 873 OG SER A 62 -4.965 11.014 -5.835 1.00 0.00 O ATOM 0 H SER A 62 -7.633 11.057 -4.420 1.00 0.00 H new ATOM 0 HA SER A 62 -7.983 11.091 -7.304 1.00 0.00 H new ATOM 0 HB2 SER A 62 -5.592 10.902 -7.792 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.909 12.429 -6.994 1.00 0.00 H new ATOM 0 HG SER A 62 -4.075 11.332 -6.093 1.00 0.00 H new ATOM 879 N GLY A 63 -8.283 8.864 -5.526 1.00 0.00 N ATOM 880 CA GLY A 63 -8.370 7.441 -5.256 1.00 0.00 C ATOM 881 C GLY A 63 -9.445 6.760 -6.082 1.00 0.00 C ATOM 882 O GLY A 63 -9.812 7.244 -7.153 1.00 0.00 O ATOM 0 H GLY A 63 -9.026 9.425 -5.110 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -7.407 6.975 -5.463 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.577 7.287 -4.197 1.00 0.00 H new ATOM 886 N LYS A 64 -9.949 5.637 -5.584 1.00 0.00 N ATOM 887 CA LYS A 64 -10.988 4.890 -6.283 1.00 0.00 C ATOM 888 C LYS A 64 -12.026 4.353 -5.303 1.00 0.00 C ATOM 889 O LYS A 64 -13.225 4.588 -5.462 1.00 0.00 O ATOM 890 CB LYS A 64 -10.370 3.736 -7.073 1.00 0.00 C ATOM 891 CG LYS A 64 -9.994 4.108 -8.499 1.00 0.00 C ATOM 892 CD LYS A 64 -9.358 2.938 -9.230 1.00 0.00 C ATOM 893 CE LYS A 64 -9.283 3.191 -10.727 1.00 0.00 C ATOM 894 NZ LYS A 64 -9.227 1.921 -11.503 1.00 0.00 N ATOM 0 H LYS A 64 -9.655 5.224 -4.699 1.00 0.00 H new ATOM 0 HA LYS A 64 -11.486 5.569 -6.975 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -9.480 3.385 -6.551 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.074 2.904 -7.097 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -10.884 4.435 -9.038 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -9.302 4.950 -8.486 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -8.356 2.765 -8.839 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -9.935 2.033 -9.041 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.151 3.770 -11.041 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -8.401 3.792 -10.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.177 2.137 -12.519 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -8.385 1.379 -11.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -10.080 1.359 -11.311 1.00 0.00 H new ATOM 908 N ASN A 65 -11.559 3.631 -4.290 1.00 0.00 N ATOM 909 CA ASN A 65 -12.449 3.060 -3.284 1.00 0.00 C ATOM 910 C ASN A 65 -12.580 3.991 -2.083 1.00 0.00 C ATOM 911 O ASN A 65 -11.580 4.437 -1.518 1.00 0.00 O ATOM 912 CB ASN A 65 -11.932 1.694 -2.832 1.00 0.00 C ATOM 913 CG ASN A 65 -11.545 0.805 -3.998 1.00 0.00 C ATOM 914 OD1 ASN A 65 -12.393 0.406 -4.796 1.00 0.00 O ATOM 915 ND2 ASN A 65 -10.259 0.491 -4.102 1.00 0.00 N ATOM 0 H ASN A 65 -10.570 3.427 -4.143 1.00 0.00 H new ATOM 0 HA ASN A 65 -13.434 2.936 -3.734 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -11.068 1.833 -2.183 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -12.700 1.197 -2.239 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -9.939 -0.104 -4.867 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -9.591 0.845 -3.417 1.00 0.00 H new ATOM 922 N ASP A 66 -13.818 4.279 -1.696 1.00 0.00 N ATOM 923 CA ASP A 66 -14.080 5.156 -0.560 1.00 0.00 C ATOM 924 C ASP A 66 -13.440 4.607 0.711 1.00 0.00 C ATOM 925 O ASP A 66 -13.077 5.364 1.612 1.00 0.00 O ATOM 926 CB ASP A 66 -15.586 5.322 -0.355 1.00 0.00 C ATOM 927 CG ASP A 66 -16.306 3.992 -0.258 1.00 0.00 C ATOM 928 OD1 ASP A 66 -16.279 3.380 0.831 1.00 0.00 O ATOM 929 OD2 ASP A 66 -16.898 3.561 -1.270 1.00 0.00 O ATOM 0 H ASP A 66 -14.656 3.918 -2.152 1.00 0.00 H new ATOM 0 HA ASP A 66 -13.639 6.129 -0.775 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -15.765 5.896 0.554 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -16.001 5.897 -1.182 1.00 0.00 H new ATOM 934 N GLY A 67 -13.304 3.287 0.776 1.00 0.00 N ATOM 935 CA GLY A 67 -12.708 2.660 1.941 1.00 0.00 C ATOM 936 C GLY A 67 -13.110 1.205 2.085 1.00 0.00 C ATOM 937 O GLY A 67 -12.367 0.402 2.650 1.00 0.00 O ATOM 0 H GLY A 67 -13.596 2.640 0.043 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -11.622 2.729 1.872 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.005 3.206 2.836 1.00 0.00 H new ATOM 941 N SER A 68 -14.288 0.865 1.573 1.00 0.00 N ATOM 942 CA SER A 68 -14.788 -0.504 1.647 1.00 0.00 C ATOM 943 C SER A 68 -15.082 -1.053 0.255 1.00 0.00 C ATOM 944 O SER A 68 -15.725 -0.392 -0.561 1.00 0.00 O ATOM 945 CB SER A 68 -16.050 -0.562 2.509 1.00 0.00 C ATOM 946 OG SER A 68 -17.150 0.036 1.843 1.00 0.00 O ATOM 0 H SER A 68 -14.915 1.518 1.102 1.00 0.00 H new ATOM 0 HA SER A 68 -14.015 -1.122 2.104 1.00 0.00 H new ATOM 0 HB2 SER A 68 -16.285 -1.600 2.746 1.00 0.00 H new ATOM 0 HB3 SER A 68 -15.872 -0.051 3.455 1.00 0.00 H new ATOM 0 HG SER A 68 -17.945 -0.015 2.414 1.00 0.00 H new ATOM 952 N ILE A 69 -14.610 -2.267 -0.008 1.00 0.00 N ATOM 953 CA ILE A 69 -14.823 -2.907 -1.300 1.00 0.00 C ATOM 954 C ILE A 69 -15.321 -4.337 -1.127 1.00 0.00 C ATOM 955 O ILE A 69 -14.664 -5.162 -0.492 1.00 0.00 O ATOM 956 CB ILE A 69 -13.531 -2.922 -2.139 1.00 0.00 C ATOM 957 CG1 ILE A 69 -12.896 -1.529 -2.168 1.00 0.00 C ATOM 958 CG2 ILE A 69 -13.822 -3.410 -3.551 1.00 0.00 C ATOM 959 CD1 ILE A 69 -11.584 -1.447 -1.418 1.00 0.00 C ATOM 0 H ILE A 69 -14.077 -2.827 0.657 1.00 0.00 H new ATOM 0 HA ILE A 69 -15.579 -2.322 -1.823 1.00 0.00 H new ATOM 0 HB ILE A 69 -12.824 -3.611 -1.677 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -12.732 -1.235 -3.205 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -13.595 -0.811 -1.740 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -12.900 -3.415 -4.132 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -14.230 -4.420 -3.510 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -14.545 -2.745 -4.024 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -11.192 -0.432 -1.481 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -11.746 -1.710 -0.373 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -10.868 -2.140 -1.860 1.00 0.00 H new ATOM 971 N GLY A 70 -16.489 -4.624 -1.694 1.00 0.00 N ATOM 972 CA GLY A 70 -17.057 -5.955 -1.588 1.00 0.00 C ATOM 973 C GLY A 70 -17.693 -6.206 -0.235 1.00 0.00 C ATOM 974 O GLY A 70 -17.602 -7.308 0.306 1.00 0.00 O ATOM 0 H GLY A 70 -17.052 -3.959 -2.225 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -17.805 -6.091 -2.369 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -16.276 -6.695 -1.762 1.00 0.00 H new ATOM 978 N GLY A 71 -18.339 -5.180 0.311 1.00 0.00 N ATOM 979 CA GLY A 71 -18.982 -5.313 1.604 1.00 0.00 C ATOM 980 C GLY A 71 -18.004 -5.682 2.702 1.00 0.00 C ATOM 981 O GLY A 71 -18.365 -6.365 3.661 1.00 0.00 O ATOM 0 H GLY A 71 -18.428 -4.260 -0.119 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -19.474 -4.375 1.860 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -19.760 -6.074 1.543 1.00 0.00 H new ATOM 985 N LYS A 72 -16.763 -5.230 2.561 1.00 0.00 N ATOM 986 CA LYS A 72 -15.727 -5.516 3.548 1.00 0.00 C ATOM 987 C LYS A 72 -14.888 -4.276 3.832 1.00 0.00 C ATOM 988 O LYS A 72 -14.046 -3.886 3.025 1.00 0.00 O ATOM 989 CB LYS A 72 -14.829 -6.654 3.057 1.00 0.00 C ATOM 990 CG LYS A 72 -13.758 -7.056 4.058 1.00 0.00 C ATOM 991 CD LYS A 72 -14.298 -8.035 5.087 1.00 0.00 C ATOM 992 CE LYS A 72 -13.528 -7.950 6.395 1.00 0.00 C ATOM 993 NZ LYS A 72 -14.418 -8.110 7.577 1.00 0.00 N ATOM 0 H LYS A 72 -16.449 -4.664 1.773 1.00 0.00 H new ATOM 0 HA LYS A 72 -16.215 -5.820 4.474 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.448 -7.522 2.830 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.350 -6.352 2.126 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -12.917 -7.507 3.531 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.379 -6.168 4.563 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -15.352 -7.827 5.270 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.237 -9.049 4.693 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.758 -8.722 6.413 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -13.017 -6.989 6.453 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -13.853 -8.046 8.448 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -15.137 -7.359 7.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -14.886 -9.038 7.536 1.00 0.00 H new ATOM 1007 N GLN A 73 -15.124 -3.660 4.986 1.00 0.00 N ATOM 1008 CA GLN A 73 -14.389 -2.463 5.378 1.00 0.00 C ATOM 1009 C GLN A 73 -12.955 -2.809 5.769 1.00 0.00 C ATOM 1010 O GLN A 73 -12.674 -3.922 6.211 1.00 0.00 O ATOM 1011 CB GLN A 73 -15.094 -1.764 6.543 1.00 0.00 C ATOM 1012 CG GLN A 73 -14.699 -0.305 6.704 1.00 0.00 C ATOM 1013 CD GLN A 73 -15.840 0.555 7.209 1.00 0.00 C ATOM 1014 OE1 GLN A 73 -16.320 0.377 8.328 1.00 0.00 O ATOM 1015 NE2 GLN A 73 -16.281 1.498 6.383 1.00 0.00 N ATOM 0 H GLN A 73 -15.818 -3.970 5.666 1.00 0.00 H new ATOM 0 HA GLN A 73 -14.361 -1.788 4.523 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -16.172 -1.826 6.395 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -14.868 -2.297 7.466 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -13.861 -0.234 7.397 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -14.354 0.082 5.745 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -15.854 1.611 5.464 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -17.046 2.109 6.668 1.00 0.00 H new ATOM 1024 N TYR A 74 -12.054 -1.846 5.604 1.00 0.00 N ATOM 1025 CA TYR A 74 -10.649 -2.048 5.942 1.00 0.00 C ATOM 1026 C TYR A 74 -10.125 -0.900 6.797 1.00 0.00 C ATOM 1027 O TYR A 74 -9.575 -1.116 7.876 1.00 0.00 O ATOM 1028 CB TYR A 74 -9.811 -2.175 4.668 1.00 0.00 C ATOM 1029 CG TYR A 74 -10.229 -3.323 3.778 1.00 0.00 C ATOM 1030 CD1 TYR A 74 -10.006 -4.640 4.159 1.00 0.00 C ATOM 1031 CD2 TYR A 74 -10.849 -3.089 2.556 1.00 0.00 C ATOM 1032 CE1 TYR A 74 -10.387 -5.692 3.347 1.00 0.00 C ATOM 1033 CE2 TYR A 74 -11.234 -4.136 1.740 1.00 0.00 C ATOM 1034 CZ TYR A 74 -11.001 -5.434 2.140 1.00 0.00 C ATOM 1035 OH TYR A 74 -11.382 -6.479 1.330 1.00 0.00 O ATOM 0 H TYR A 74 -12.271 -0.919 5.239 1.00 0.00 H new ATOM 0 HA TYR A 74 -10.567 -2.971 6.516 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -9.881 -1.245 4.104 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -8.764 -2.303 4.943 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -9.527 -4.846 5.105 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -11.033 -2.073 2.239 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -10.205 -6.710 3.657 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -11.715 -3.938 0.794 1.00 0.00 H new ATOM 0 HH TYR A 74 -11.801 -6.127 0.517 1.00 0.00 H new ATOM 1045 N PHE A 75 -10.299 0.323 6.306 1.00 0.00 N ATOM 1046 CA PHE A 75 -9.843 1.507 7.025 1.00 0.00 C ATOM 1047 C PHE A 75 -10.881 2.622 6.948 1.00 0.00 C ATOM 1048 O PHE A 75 -11.330 2.992 5.864 1.00 0.00 O ATOM 1049 CB PHE A 75 -8.511 1.994 6.454 1.00 0.00 C ATOM 1050 CG PHE A 75 -8.491 2.066 4.954 1.00 0.00 C ATOM 1051 CD1 PHE A 75 -8.188 0.945 4.197 1.00 0.00 C ATOM 1052 CD2 PHE A 75 -8.776 3.254 4.300 1.00 0.00 C ATOM 1053 CE1 PHE A 75 -8.171 1.008 2.817 1.00 0.00 C ATOM 1054 CE2 PHE A 75 -8.760 3.323 2.920 1.00 0.00 C ATOM 1055 CZ PHE A 75 -8.456 2.198 2.177 1.00 0.00 C ATOM 0 H PHE A 75 -10.752 0.520 5.414 1.00 0.00 H new ATOM 0 HA PHE A 75 -9.704 1.236 8.072 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.290 2.981 6.860 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.716 1.327 6.788 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -7.963 0.012 4.692 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -9.013 4.136 4.876 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.935 0.127 2.239 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -8.985 4.255 2.423 1.00 0.00 H new ATOM 0 HZ PHE A 75 -8.441 2.249 1.098 1.00 0.00 H new ATOM 1065 N ARG A 76 -11.257 3.154 8.107 1.00 0.00 N ATOM 1066 CA ARG A 76 -12.242 4.228 8.170 1.00 0.00 C ATOM 1067 C ARG A 76 -11.639 5.550 7.704 1.00 0.00 C ATOM 1068 O ARG A 76 -10.993 6.255 8.479 1.00 0.00 O ATOM 1069 CB ARG A 76 -12.779 4.372 9.596 1.00 0.00 C ATOM 1070 CG ARG A 76 -13.445 3.113 10.125 1.00 0.00 C ATOM 1071 CD ARG A 76 -14.724 3.433 10.882 1.00 0.00 C ATOM 1072 NE ARG A 76 -15.766 3.956 9.999 1.00 0.00 N ATOM 1073 CZ ARG A 76 -17.058 3.986 10.315 1.00 0.00 C ATOM 1074 NH1 ARG A 76 -17.473 3.524 11.489 1.00 0.00 N ATOM 1075 NH2 ARG A 76 -17.939 4.477 9.454 1.00 0.00 N ATOM 0 H ARG A 76 -10.895 2.859 9.014 1.00 0.00 H new ATOM 0 HA ARG A 76 -13.065 3.972 7.503 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.958 4.644 10.259 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -13.497 5.192 9.624 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -13.671 2.444 9.295 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -12.755 2.584 10.782 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -15.087 2.533 11.378 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -14.510 4.163 11.663 1.00 0.00 H new ATOM 0 HE ARG A 76 -15.486 4.319 9.088 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -16.800 3.143 12.154 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -18.465 3.550 11.725 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -17.626 4.831 8.550 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -18.930 4.500 9.696 1.00 0.00 H new ATOM 1089 N CYS A 77 -11.855 5.877 6.435 1.00 0.00 N ATOM 1090 CA CYS A 77 -11.333 7.114 5.865 1.00 0.00 C ATOM 1091 C CYS A 77 -12.378 7.791 4.986 1.00 0.00 C ATOM 1092 O CYS A 77 -13.421 7.210 4.683 1.00 0.00 O ATOM 1093 CB CYS A 77 -10.070 6.832 5.049 1.00 0.00 C ATOM 1094 SG CYS A 77 -8.879 8.193 5.039 1.00 0.00 S ATOM 0 H CYS A 77 -12.388 5.303 5.781 1.00 0.00 H new ATOM 0 HA CYS A 77 -11.084 7.786 6.686 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -9.584 5.941 5.447 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -10.357 6.607 4.022 1.00 0.00 H new ATOM 0 HG CYS A 77 -8.525 8.451 3.815 1.00 0.00 H new ATOM 1100 N ASN A 78 -12.094 9.024 4.578 1.00 0.00 N ATOM 1101 CA ASN A 78 -13.010 9.781 3.733 1.00 0.00 C ATOM 1102 C ASN A 78 -13.088 9.175 2.334 1.00 0.00 C ATOM 1103 O ASN A 78 -12.132 8.560 1.862 1.00 0.00 O ATOM 1104 CB ASN A 78 -12.567 11.243 3.646 1.00 0.00 C ATOM 1105 CG ASN A 78 -13.209 12.105 4.715 1.00 0.00 C ATOM 1106 OD1 ASN A 78 -14.306 11.814 5.190 1.00 0.00 O ATOM 1107 ND2 ASN A 78 -12.525 13.177 5.099 1.00 0.00 N ATOM 0 H ASN A 78 -11.236 9.520 4.819 1.00 0.00 H new ATOM 0 HA ASN A 78 -14.002 9.736 4.184 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -11.483 11.298 3.742 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -12.821 11.639 2.663 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -12.906 13.796 5.814 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -11.618 13.381 4.679 1.00 0.00 H new ATOM 1114 N PRO A 79 -14.232 9.344 1.649 1.00 0.00 N ATOM 1115 CA PRO A 79 -14.429 8.812 0.298 1.00 0.00 C ATOM 1116 C PRO A 79 -13.609 9.562 -0.746 1.00 0.00 C ATOM 1117 O PRO A 79 -13.476 10.783 -0.686 1.00 0.00 O ATOM 1118 CB PRO A 79 -15.925 9.018 0.050 1.00 0.00 C ATOM 1119 CG PRO A 79 -16.295 10.169 0.919 1.00 0.00 C ATOM 1120 CD PRO A 79 -15.421 10.068 2.139 1.00 0.00 C ATOM 0 HA PRO A 79 -14.108 7.773 0.219 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -16.127 9.233 -0.999 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -16.496 8.126 0.309 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -16.135 11.115 0.402 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -17.350 10.129 1.191 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -15.160 11.052 2.529 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -15.917 9.527 2.945 1.00 0.00 H new ATOM 1128 N GLY A 80 -13.060 8.821 -1.704 1.00 0.00 N ATOM 1129 CA GLY A 80 -12.259 9.433 -2.747 1.00 0.00 C ATOM 1130 C GLY A 80 -10.774 9.376 -2.448 1.00 0.00 C ATOM 1131 O GLY A 80 -9.950 9.337 -3.363 1.00 0.00 O ATOM 0 H GLY A 80 -13.156 7.808 -1.776 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.455 8.930 -3.694 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.562 10.473 -2.870 1.00 0.00 H new ATOM 1135 N TYR A 81 -10.431 9.372 -1.165 1.00 0.00 N ATOM 1136 CA TYR A 81 -9.034 9.321 -0.746 1.00 0.00 C ATOM 1137 C TYR A 81 -8.592 7.881 -0.504 1.00 0.00 C ATOM 1138 O TYR A 81 -7.423 7.541 -0.690 1.00 0.00 O ATOM 1139 CB TYR A 81 -8.830 10.148 0.523 1.00 0.00 C ATOM 1140 CG TYR A 81 -9.339 11.568 0.410 1.00 0.00 C ATOM 1141 CD1 TYR A 81 -10.697 11.848 0.498 1.00 0.00 C ATOM 1142 CD2 TYR A 81 -8.462 12.628 0.217 1.00 0.00 C ATOM 1143 CE1 TYR A 81 -11.166 13.144 0.395 1.00 0.00 C ATOM 1144 CE2 TYR A 81 -8.923 13.925 0.114 1.00 0.00 C ATOM 1145 CZ TYR A 81 -10.276 14.179 0.203 1.00 0.00 C ATOM 1146 OH TYR A 81 -10.738 15.471 0.100 1.00 0.00 O ATOM 0 H TYR A 81 -11.101 9.403 -0.396 1.00 0.00 H new ATOM 0 HA TYR A 81 -8.425 9.741 -1.547 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -9.336 9.655 1.353 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -7.767 10.170 0.765 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -11.397 11.040 0.649 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -7.402 12.434 0.146 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -12.225 13.345 0.465 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -8.227 14.737 -0.036 1.00 0.00 H new ATOM 0 HH TYR A 81 -9.981 16.079 -0.032 1.00 0.00 H new ATOM 1156 N GLY A 82 -9.532 7.038 -0.088 1.00 0.00 N ATOM 1157 CA GLY A 82 -9.219 5.646 0.172 1.00 0.00 C ATOM 1158 C GLY A 82 -8.812 4.900 -1.083 1.00 0.00 C ATOM 1159 O GLY A 82 -9.302 5.191 -2.174 1.00 0.00 O ATOM 0 H GLY A 82 -10.506 7.295 0.074 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -8.413 5.588 0.903 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -10.087 5.158 0.616 1.00 0.00 H new ATOM 1163 N LEU A 83 -7.914 3.933 -0.928 1.00 0.00 N ATOM 1164 CA LEU A 83 -7.441 3.141 -2.058 1.00 0.00 C ATOM 1165 C LEU A 83 -6.841 1.822 -1.584 1.00 0.00 C ATOM 1166 O LEU A 83 -6.423 1.698 -0.433 1.00 0.00 O ATOM 1167 CB LEU A 83 -6.404 3.928 -2.862 1.00 0.00 C ATOM 1168 CG LEU A 83 -6.090 3.359 -4.246 1.00 0.00 C ATOM 1169 CD1 LEU A 83 -7.366 3.189 -5.055 1.00 0.00 C ATOM 1170 CD2 LEU A 83 -5.107 4.260 -4.981 1.00 0.00 C ATOM 0 H LEU A 83 -7.499 3.679 -0.032 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.295 2.921 -2.698 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.758 4.952 -2.979 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.479 3.974 -2.287 1.00 0.00 H new ATOM 0 HG LEU A 83 -5.631 2.379 -4.120 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.123 2.783 -6.037 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.038 2.505 -4.536 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -7.854 4.157 -5.173 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -4.894 3.841 -5.964 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -5.540 5.254 -5.096 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.182 4.332 -4.409 1.00 0.00 H new ATOM 1182 N LEU A 84 -6.803 0.840 -2.477 1.00 0.00 N ATOM 1183 CA LEU A 84 -6.254 -0.471 -2.148 1.00 0.00 C ATOM 1184 C LEU A 84 -5.420 -1.017 -3.305 1.00 0.00 C ATOM 1185 O LEU A 84 -5.798 -0.890 -4.470 1.00 0.00 O ATOM 1186 CB LEU A 84 -7.383 -1.447 -1.806 1.00 0.00 C ATOM 1187 CG LEU A 84 -7.448 -1.870 -0.337 1.00 0.00 C ATOM 1188 CD1 LEU A 84 -8.893 -2.043 0.106 1.00 0.00 C ATOM 1189 CD2 LEU A 84 -6.664 -3.156 -0.119 1.00 0.00 C ATOM 0 H LEU A 84 -7.145 0.926 -3.434 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.605 -0.361 -1.279 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.334 -0.990 -2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.270 -2.340 -2.421 1.00 0.00 H new ATOM 0 HG LEU A 84 -6.996 -1.084 0.268 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -8.919 -2.344 1.153 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.426 -1.100 -0.014 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -9.371 -2.810 -0.504 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.720 -3.443 0.931 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -7.087 -3.949 -0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.622 -2.998 -0.396 1.00 0.00 H new ATOM 1201 N VAL A 85 -4.285 -1.622 -2.974 1.00 0.00 N ATOM 1202 CA VAL A 85 -3.398 -2.187 -3.983 1.00 0.00 C ATOM 1203 C VAL A 85 -2.476 -3.241 -3.376 1.00 0.00 C ATOM 1204 O VAL A 85 -2.255 -3.263 -2.166 1.00 0.00 O ATOM 1205 CB VAL A 85 -2.539 -1.097 -4.651 1.00 0.00 C ATOM 1206 CG1 VAL A 85 -3.376 -0.275 -5.619 1.00 0.00 C ATOM 1207 CG2 VAL A 85 -1.896 -0.205 -3.599 1.00 0.00 C ATOM 0 H VAL A 85 -3.958 -1.734 -2.014 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.033 -2.652 -4.737 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.744 -1.583 -5.217 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.752 0.490 -6.081 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.783 -0.927 -6.392 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.194 0.202 -5.079 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.293 0.559 -4.089 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.673 0.273 -3.003 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.261 -0.808 -2.950 1.00 0.00 H new ATOM 1217 N ARG A 86 -1.943 -4.113 -4.226 1.00 0.00 N ATOM 1218 CA ARG A 86 -1.045 -5.169 -3.773 1.00 0.00 C ATOM 1219 C ARG A 86 0.288 -4.590 -3.310 1.00 0.00 C ATOM 1220 O ARG A 86 0.686 -3.506 -3.739 1.00 0.00 O ATOM 1221 CB ARG A 86 -0.811 -6.183 -4.895 1.00 0.00 C ATOM 1222 CG ARG A 86 -2.095 -6.732 -5.496 1.00 0.00 C ATOM 1223 CD ARG A 86 -2.598 -7.944 -4.726 1.00 0.00 C ATOM 1224 NE ARG A 86 -2.679 -9.134 -5.570 1.00 0.00 N ATOM 1225 CZ ARG A 86 -3.569 -9.290 -6.549 1.00 0.00 C ATOM 1226 NH1 ARG A 86 -4.454 -8.335 -6.808 1.00 0.00 N ATOM 1227 NH2 ARG A 86 -3.573 -10.403 -7.268 1.00 0.00 N ATOM 0 H ARG A 86 -2.117 -4.109 -5.231 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.514 -5.673 -2.928 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.223 -5.712 -5.683 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.218 -7.011 -4.507 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.860 -5.955 -5.494 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.922 -7.007 -6.537 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.933 -8.141 -3.885 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.582 -7.727 -4.310 1.00 0.00 H new ATOM 0 HE ARG A 86 -2.015 -9.890 -5.400 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -4.455 -7.477 -6.256 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -5.133 -8.459 -7.559 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.895 -11.139 -7.072 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -4.254 -10.523 -8.018 1.00 0.00 H new ATOM 1241 N PRO A 87 1.002 -5.308 -2.425 1.00 0.00 N ATOM 1242 CA PRO A 87 2.298 -4.858 -1.907 1.00 0.00 C ATOM 1243 C PRO A 87 3.275 -4.506 -3.021 1.00 0.00 C ATOM 1244 O PRO A 87 4.067 -3.571 -2.897 1.00 0.00 O ATOM 1245 CB PRO A 87 2.805 -6.064 -1.113 1.00 0.00 C ATOM 1246 CG PRO A 87 1.575 -6.816 -0.735 1.00 0.00 C ATOM 1247 CD PRO A 87 0.603 -6.611 -1.863 1.00 0.00 C ATOM 0 HA PRO A 87 2.204 -3.950 -1.312 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.476 -6.679 -1.713 1.00 0.00 H new ATOM 0 HB3 PRO A 87 3.364 -5.750 -0.231 1.00 0.00 H new ATOM 0 HG2 PRO A 87 1.792 -7.875 -0.594 1.00 0.00 H new ATOM 0 HG3 PRO A 87 1.165 -6.447 0.205 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.674 -7.407 -2.604 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -0.427 -6.597 -1.508 1.00 0.00 H new ATOM 1255 N SER A 88 3.210 -5.261 -4.111 1.00 0.00 N ATOM 1256 CA SER A 88 4.086 -5.033 -5.255 1.00 0.00 C ATOM 1257 C SER A 88 3.874 -3.638 -5.838 1.00 0.00 C ATOM 1258 O SER A 88 4.760 -3.088 -6.491 1.00 0.00 O ATOM 1259 CB SER A 88 3.836 -6.091 -6.331 1.00 0.00 C ATOM 1260 OG SER A 88 4.434 -7.327 -5.980 1.00 0.00 O ATOM 0 H SER A 88 2.559 -6.038 -4.227 1.00 0.00 H new ATOM 0 HA SER A 88 5.118 -5.108 -4.911 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.763 -6.228 -6.468 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.238 -5.747 -7.284 1.00 0.00 H new ATOM 0 HG SER A 88 4.258 -7.987 -6.683 1.00 0.00 H new ATOM 1266 N ARG A 89 2.693 -3.073 -5.602 1.00 0.00 N ATOM 1267 CA ARG A 89 2.369 -1.744 -6.106 1.00 0.00 C ATOM 1268 C ARG A 89 2.611 -0.678 -5.042 1.00 0.00 C ATOM 1269 O ARG A 89 1.957 0.366 -5.036 1.00 0.00 O ATOM 1270 CB ARG A 89 0.914 -1.696 -6.572 1.00 0.00 C ATOM 1271 CG ARG A 89 0.660 -2.490 -7.841 1.00 0.00 C ATOM 1272 CD ARG A 89 1.049 -1.702 -9.081 1.00 0.00 C ATOM 1273 NE ARG A 89 0.124 -1.930 -10.189 1.00 0.00 N ATOM 1274 CZ ARG A 89 0.416 -1.679 -11.463 1.00 0.00 C ATOM 1275 NH1 ARG A 89 1.604 -1.189 -11.796 1.00 0.00 N ATOM 1276 NH2 ARG A 89 -0.484 -1.918 -12.408 1.00 0.00 N ATOM 0 H ARG A 89 1.946 -3.515 -5.066 1.00 0.00 H new ATOM 0 HA ARG A 89 3.024 -1.536 -6.952 1.00 0.00 H new ATOM 0 HB2 ARG A 89 0.273 -2.080 -5.778 1.00 0.00 H new ATOM 0 HB3 ARG A 89 0.628 -0.658 -6.739 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.226 -3.421 -7.808 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -0.394 -2.760 -7.897 1.00 0.00 H new ATOM 0 HD2 ARG A 89 1.073 -0.639 -8.842 1.00 0.00 H new ATOM 0 HD3 ARG A 89 2.057 -1.982 -9.387 1.00 0.00 H new ATOM 0 HE ARG A 89 -0.800 -2.304 -9.973 1.00 0.00 H new ATOM 0 HH11 ARG A 89 2.300 -1.003 -11.074 1.00 0.00 H new ATOM 0 HH12 ARG A 89 1.821 -0.999 -12.774 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -1.399 -2.294 -12.158 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -0.261 -1.726 -13.385 1.00 0.00 H new ATOM 1290 N VAL A 90 3.552 -0.944 -4.141 1.00 0.00 N ATOM 1291 CA VAL A 90 3.877 -0.005 -3.075 1.00 0.00 C ATOM 1292 C VAL A 90 5.382 0.055 -2.835 1.00 0.00 C ATOM 1293 O VAL A 90 6.060 -0.972 -2.823 1.00 0.00 O ATOM 1294 CB VAL A 90 3.175 -0.385 -1.758 1.00 0.00 C ATOM 1295 CG1 VAL A 90 3.363 0.708 -0.718 1.00 0.00 C ATOM 1296 CG2 VAL A 90 1.697 -0.653 -2.000 1.00 0.00 C ATOM 0 H VAL A 90 4.102 -1.803 -4.129 1.00 0.00 H new ATOM 0 HA VAL A 90 3.523 0.974 -3.398 1.00 0.00 H new ATOM 0 HB VAL A 90 3.629 -1.299 -1.376 1.00 0.00 H new ATOM 0 HG11 VAL A 90 2.860 0.422 0.206 1.00 0.00 H new ATOM 0 HG12 VAL A 90 4.427 0.847 -0.524 1.00 0.00 H new ATOM 0 HG13 VAL A 90 2.937 1.640 -1.089 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.217 -0.920 -1.059 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.227 0.242 -2.406 1.00 0.00 H new ATOM 0 HG23 VAL A 90 1.587 -1.474 -2.709 1.00 0.00 H new ATOM 1306 N ARG A 91 5.897 1.266 -2.646 1.00 0.00 N ATOM 1307 CA ARG A 91 7.322 1.461 -2.408 1.00 0.00 C ATOM 1308 C ARG A 91 7.554 2.439 -1.261 1.00 0.00 C ATOM 1309 O ARG A 91 6.675 3.232 -0.922 1.00 0.00 O ATOM 1310 CB ARG A 91 8.008 1.972 -3.675 1.00 0.00 C ATOM 1311 CG ARG A 91 7.856 1.041 -4.867 1.00 0.00 C ATOM 1312 CD ARG A 91 8.933 1.291 -5.910 1.00 0.00 C ATOM 1313 NE ARG A 91 10.119 0.468 -5.681 1.00 0.00 N ATOM 1314 CZ ARG A 91 11.040 0.221 -6.609 1.00 0.00 C ATOM 1315 NH1 ARG A 91 10.918 0.732 -7.828 1.00 0.00 N ATOM 1316 NH2 ARG A 91 12.088 -0.537 -6.317 1.00 0.00 N ATOM 0 H ARG A 91 5.349 2.126 -2.653 1.00 0.00 H new ATOM 0 HA ARG A 91 7.753 0.498 -2.134 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.597 2.948 -3.932 1.00 0.00 H new ATOM 0 HB3 ARG A 91 9.069 2.117 -3.471 1.00 0.00 H new ATOM 0 HG2 ARG A 91 7.908 0.006 -4.530 1.00 0.00 H new ATOM 0 HG3 ARG A 91 6.873 1.181 -5.317 1.00 0.00 H new ATOM 0 HD2 ARG A 91 8.533 1.082 -6.902 1.00 0.00 H new ATOM 0 HD3 ARG A 91 9.214 2.344 -5.896 1.00 0.00 H new ATOM 0 HE ARG A 91 10.248 0.059 -4.756 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.115 1.318 -8.058 1.00 0.00 H new ATOM 0 HH12 ARG A 91 11.627 0.539 -8.535 1.00 0.00 H new ATOM 0 HH21 ARG A 91 12.188 -0.931 -5.381 1.00 0.00 H new ATOM 0 HH22 ARG A 91 12.794 -0.727 -7.028 1.00 0.00 H new ATOM 1330 N ARG A 92 8.742 2.378 -0.669 1.00 0.00 N ATOM 1331 CA ARG A 92 9.089 3.261 0.440 1.00 0.00 C ATOM 1332 C ARG A 92 9.198 4.707 -0.031 1.00 0.00 C ATOM 1333 O ARG A 92 9.614 4.974 -1.159 1.00 0.00 O ATOM 1334 CB ARG A 92 10.407 2.819 1.078 1.00 0.00 C ATOM 1335 CG ARG A 92 10.232 1.794 2.188 1.00 0.00 C ATOM 1336 CD ARG A 92 10.977 2.203 3.449 1.00 0.00 C ATOM 1337 NE ARG A 92 12.392 2.461 3.191 1.00 0.00 N ATOM 1338 CZ ARG A 92 13.319 2.531 4.142 1.00 0.00 C ATOM 1339 NH1 ARG A 92 12.986 2.362 5.417 1.00 0.00 N ATOM 1340 NH2 ARG A 92 14.583 2.770 3.821 1.00 0.00 N ATOM 0 H ARG A 92 9.480 1.728 -0.938 1.00 0.00 H new ATOM 0 HA ARG A 92 8.295 3.199 1.184 1.00 0.00 H new ATOM 0 HB2 ARG A 92 11.052 2.400 0.306 1.00 0.00 H new ATOM 0 HB3 ARG A 92 10.918 3.694 1.480 1.00 0.00 H new ATOM 0 HG2 ARG A 92 9.172 1.677 2.413 1.00 0.00 H new ATOM 0 HG3 ARG A 92 10.595 0.824 1.849 1.00 0.00 H new ATOM 0 HD2 ARG A 92 10.516 3.098 3.868 1.00 0.00 H new ATOM 0 HD3 ARG A 92 10.883 1.416 4.197 1.00 0.00 H new ATOM 0 HE ARG A 92 12.686 2.595 2.224 1.00 0.00 H new ATOM 0 HH11 ARG A 92 12.015 2.178 5.670 1.00 0.00 H new ATOM 0 HH12 ARG A 92 13.701 2.417 6.142 1.00 0.00 H new ATOM 0 HH21 ARG A 92 14.845 2.900 2.844 1.00 0.00 H new ATOM 0 HH22 ARG A 92 15.293 2.824 4.551 1.00 0.00 H new ATOM 1354 N ALA A 93 8.822 5.637 0.840 1.00 0.00 N ATOM 1355 CA ALA A 93 8.878 7.057 0.514 1.00 0.00 C ATOM 1356 C ALA A 93 10.218 7.662 0.918 1.00 0.00 C ATOM 1357 O ALA A 93 10.547 7.731 2.102 1.00 0.00 O ATOM 1358 CB ALA A 93 7.736 7.800 1.193 1.00 0.00 C ATOM 0 H ALA A 93 8.475 5.433 1.777 1.00 0.00 H new ATOM 0 HA ALA A 93 8.774 7.160 -0.566 1.00 0.00 H new ATOM 0 HB1 ALA A 93 7.790 8.859 0.941 1.00 0.00 H new ATOM 0 HB2 ALA A 93 6.784 7.394 0.852 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.815 7.680 2.273 1.00 0.00 H new