USER MOD reduce.3.24.130724 H: found=0, std=0, add=540, rem=0, adj=11 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= -0.041 USER MOD Single : A 37 THR OG1 : rot -27:sc= 0.0394 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.603 K(o=-0.6,f=-2.2!) 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+ 161:sc= 0 (180deg=-0.0603) USER MOD Single : A 65 ASN : amide:sc= -1.98 X(o=-2,f=-1.9) 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 K(o=0,f=-1.2) USER MOD Single : A 74 TYR OH : rot 180:sc= -0.129 USER MOD Single : A 77 CYS SG : rot -160:sc= 1.28 USER MOD Single : A 78 ASN : amide:sc= -0.371 K(o=-0.37,f=-1.5) USER MOD Single : A 81 TYR OH : rot 180:sc= -0.244 USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 210 N GLU A 19 5.235 -10.857 -2.569 1.00 0.00 N ATOM 211 CA GLU A 19 6.382 -10.833 -1.668 1.00 0.00 C ATOM 212 C GLU A 19 6.387 -9.557 -0.831 1.00 0.00 C ATOM 213 O GLU A 19 7.055 -8.581 -1.173 1.00 0.00 O ATOM 214 CB GLU A 19 7.685 -10.944 -2.465 1.00 0.00 C ATOM 215 CG GLU A 19 8.341 -12.312 -2.367 1.00 0.00 C ATOM 216 CD GLU A 19 8.890 -12.598 -0.984 1.00 0.00 C ATOM 217 OE1 GLU A 19 8.080 -12.787 -0.051 1.00 0.00 O ATOM 218 OE2 GLU A 19 10.129 -12.634 -0.832 1.00 0.00 O ATOM 0 HA GLU A 19 6.305 -11.687 -0.995 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.481 -10.722 -3.512 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.385 -10.188 -2.109 1.00 0.00 H new ATOM 0 HG2 GLU A 19 7.613 -13.079 -2.631 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.150 -12.376 -3.095 1.00 0.00 H new ATOM 225 N VAL A 20 5.638 -9.573 0.267 1.00 0.00 N ATOM 226 CA VAL A 20 5.557 -8.417 1.152 1.00 0.00 C ATOM 227 C VAL A 20 6.863 -8.223 1.922 1.00 0.00 C ATOM 228 O VAL A 20 7.304 -9.119 2.642 1.00 0.00 O ATOM 229 CB VAL A 20 4.398 -8.561 2.158 1.00 0.00 C ATOM 230 CG1 VAL A 20 4.235 -7.289 2.975 1.00 0.00 C ATOM 231 CG2 VAL A 20 3.104 -8.909 1.436 1.00 0.00 C ATOM 0 H VAL A 20 5.079 -10.373 0.565 1.00 0.00 H new ATOM 0 HA VAL A 20 5.376 -7.546 0.522 1.00 0.00 H new ATOM 0 HB VAL A 20 4.636 -9.375 2.842 1.00 0.00 H new ATOM 0 HG11 VAL A 20 3.412 -7.412 3.679 1.00 0.00 H new ATOM 0 HG12 VAL A 20 5.155 -7.089 3.524 1.00 0.00 H new ATOM 0 HG13 VAL A 20 4.021 -6.453 2.309 1.00 0.00 H new ATOM 0 HG21 VAL A 20 2.297 -9.007 2.162 1.00 0.00 H new ATOM 0 HG22 VAL A 20 2.860 -8.119 0.726 1.00 0.00 H new ATOM 0 HG23 VAL A 20 3.227 -9.851 0.902 1.00 0.00 H new ATOM 241 N PRO A 21 7.504 -7.047 1.783 1.00 0.00 N ATOM 242 CA PRO A 21 8.763 -6.751 2.475 1.00 0.00 C ATOM 243 C PRO A 21 8.575 -6.602 3.980 1.00 0.00 C ATOM 244 O PRO A 21 7.529 -6.955 4.524 1.00 0.00 O ATOM 245 CB PRO A 21 9.208 -5.423 1.856 1.00 0.00 C ATOM 246 CG PRO A 21 7.950 -4.789 1.374 1.00 0.00 C ATOM 247 CD PRO A 21 7.054 -5.917 0.947 1.00 0.00 C ATOM 0 HA PRO A 21 9.490 -7.554 2.358 1.00 0.00 H new ATOM 0 HB2 PRO A 21 9.713 -4.794 2.589 1.00 0.00 H new ATOM 0 HB3 PRO A 21 9.909 -5.583 1.037 1.00 0.00 H new ATOM 0 HG2 PRO A 21 7.484 -4.198 2.163 1.00 0.00 H new ATOM 0 HG3 PRO A 21 8.148 -4.112 0.543 1.00 0.00 H new ATOM 0 HD2 PRO A 21 6.003 -5.683 1.120 1.00 0.00 H new ATOM 0 HD3 PRO A 21 7.162 -6.135 -0.115 1.00 0.00 H new ATOM 255 N GLU A 22 9.597 -6.078 4.650 1.00 0.00 N ATOM 256 CA GLU A 22 9.546 -5.885 6.095 1.00 0.00 C ATOM 257 C GLU A 22 9.117 -4.462 6.442 1.00 0.00 C ATOM 258 O GLU A 22 8.503 -4.225 7.482 1.00 0.00 O ATOM 259 CB GLU A 22 10.910 -6.190 6.719 1.00 0.00 C ATOM 260 CG GLU A 22 10.876 -7.322 7.732 1.00 0.00 C ATOM 261 CD GLU A 22 10.440 -6.859 9.109 1.00 0.00 C ATOM 262 OE1 GLU A 22 10.754 -5.706 9.474 1.00 0.00 O ATOM 263 OE2 GLU A 22 9.786 -7.649 9.822 1.00 0.00 O ATOM 0 H GLU A 22 10.470 -5.780 4.215 1.00 0.00 H new ATOM 0 HA GLU A 22 8.806 -6.574 6.503 1.00 0.00 H new ATOM 0 HB2 GLU A 22 11.614 -6.444 5.927 1.00 0.00 H new ATOM 0 HB3 GLU A 22 11.287 -5.290 7.205 1.00 0.00 H new ATOM 0 HG2 GLU A 22 10.196 -8.098 7.381 1.00 0.00 H new ATOM 0 HG3 GLU A 22 11.866 -7.773 7.801 1.00 0.00 H new ATOM 270 N TRP A 23 9.446 -3.517 5.567 1.00 0.00 N ATOM 271 CA TRP A 23 9.096 -2.118 5.786 1.00 0.00 C ATOM 272 C TRP A 23 7.611 -1.879 5.528 1.00 0.00 C ATOM 273 O TRP A 23 6.980 -1.056 6.192 1.00 0.00 O ATOM 274 CB TRP A 23 9.935 -1.212 4.881 1.00 0.00 C ATOM 275 CG TRP A 23 9.892 -1.608 3.437 1.00 0.00 C ATOM 276 CD1 TRP A 23 10.810 -2.364 2.766 1.00 0.00 C ATOM 277 CD2 TRP A 23 8.881 -1.265 2.484 1.00 0.00 C ATOM 278 NE1 TRP A 23 10.431 -2.513 1.455 1.00 0.00 N ATOM 279 CE2 TRP A 23 9.249 -1.847 1.256 1.00 0.00 C ATOM 280 CE3 TRP A 23 7.697 -0.523 2.548 1.00 0.00 C ATOM 281 CZ2 TRP A 23 8.477 -1.710 0.105 1.00 0.00 C ATOM 282 CZ3 TRP A 23 6.933 -0.387 1.404 1.00 0.00 C ATOM 283 CH2 TRP A 23 7.326 -0.978 0.197 1.00 0.00 C ATOM 0 H TRP A 23 9.954 -3.694 4.700 1.00 0.00 H new ATOM 0 HA TRP A 23 9.308 -1.877 6.828 1.00 0.00 H new ATOM 0 HB2 TRP A 23 9.582 -0.186 4.979 1.00 0.00 H new ATOM 0 HB3 TRP A 23 10.970 -1.227 5.223 1.00 0.00 H new ATOM 0 HD1 TRP A 23 11.704 -2.784 3.203 1.00 0.00 H new ATOM 0 HE1 TRP A 23 10.945 -3.034 0.745 1.00 0.00 H new ATOM 0 HE3 TRP A 23 7.385 -0.064 3.475 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 8.777 -2.166 -0.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 6.018 0.185 1.442 1.00 0.00 H new ATOM 0 HH2 TRP A 23 6.707 -0.853 -0.679 1.00 0.00 H new ATOM 294 N LEU A 24 7.058 -2.604 4.560 1.00 0.00 N ATOM 295 CA LEU A 24 5.647 -2.469 4.216 1.00 0.00 C ATOM 296 C LEU A 24 4.759 -2.886 5.384 1.00 0.00 C ATOM 297 O LEU A 24 4.790 -4.037 5.820 1.00 0.00 O ATOM 298 CB LEU A 24 5.318 -3.313 2.983 1.00 0.00 C ATOM 299 CG LEU A 24 3.854 -3.275 2.545 1.00 0.00 C ATOM 300 CD1 LEU A 24 3.401 -1.840 2.320 1.00 0.00 C ATOM 301 CD2 LEU A 24 3.654 -4.102 1.284 1.00 0.00 C ATOM 0 H LEU A 24 7.565 -3.290 4.001 1.00 0.00 H new ATOM 0 HA LEU A 24 5.452 -1.420 3.992 1.00 0.00 H new ATOM 0 HB2 LEU A 24 5.939 -2.974 2.153 1.00 0.00 H new ATOM 0 HB3 LEU A 24 5.594 -4.348 3.186 1.00 0.00 H new ATOM 0 HG LEU A 24 3.245 -3.706 3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 24 2.356 -1.833 2.009 1.00 0.00 H new ATOM 0 HD12 LEU A 24 3.508 -1.275 3.246 1.00 0.00 H new ATOM 0 HD13 LEU A 24 4.014 -1.382 1.544 1.00 0.00 H new ATOM 0 HD21 LEU A 24 2.606 -4.064 0.986 1.00 0.00 H new ATOM 0 HD22 LEU A 24 4.274 -3.699 0.483 1.00 0.00 H new ATOM 0 HD23 LEU A 24 3.939 -5.136 1.478 1.00 0.00 H new ATOM 313 N ARG A 25 3.969 -1.943 5.886 1.00 0.00 N ATOM 314 CA ARG A 25 3.071 -2.213 7.004 1.00 0.00 C ATOM 315 C ARG A 25 2.228 -0.986 7.333 1.00 0.00 C ATOM 316 O ARG A 25 2.512 0.119 6.868 1.00 0.00 O ATOM 317 CB ARG A 25 3.870 -2.642 8.235 1.00 0.00 C ATOM 318 CG ARG A 25 4.899 -1.615 8.679 1.00 0.00 C ATOM 319 CD ARG A 25 5.214 -1.744 10.162 1.00 0.00 C ATOM 320 NE ARG A 25 6.527 -2.344 10.392 1.00 0.00 N ATOM 321 CZ ARG A 25 6.762 -3.654 10.359 1.00 0.00 C ATOM 322 NH1 ARG A 25 5.777 -4.507 10.107 1.00 0.00 N ATOM 323 NH2 ARG A 25 7.987 -4.112 10.579 1.00 0.00 N ATOM 0 H ARG A 25 3.932 -0.985 5.537 1.00 0.00 H new ATOM 0 HA ARG A 25 2.403 -3.023 6.713 1.00 0.00 H new ATOM 0 HB2 ARG A 25 3.180 -2.833 9.057 1.00 0.00 H new ATOM 0 HB3 ARG A 25 4.377 -3.583 8.020 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.814 -1.741 8.100 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.526 -0.612 8.471 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.179 -0.759 10.627 1.00 0.00 H new ATOM 0 HD3 ARG A 25 4.448 -2.352 10.644 1.00 0.00 H new ATOM 0 HE ARG A 25 7.310 -1.721 10.590 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.833 -4.160 9.937 1.00 0.00 H new ATOM 0 HH12 ARG A 25 5.964 -5.509 10.083 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.748 -3.461 10.773 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.168 -5.115 10.554 1.00 0.00 H new ATOM 337 N GLU A 26 1.189 -1.186 8.137 1.00 0.00 N ATOM 338 CA GLU A 26 0.302 -0.096 8.530 1.00 0.00 C ATOM 339 C GLU A 26 1.083 1.021 9.218 1.00 0.00 C ATOM 340 O GLU A 26 2.019 0.763 9.974 1.00 0.00 O ATOM 341 CB GLU A 26 -0.796 -0.614 9.461 1.00 0.00 C ATOM 342 CG GLU A 26 -2.037 -1.095 8.727 1.00 0.00 C ATOM 343 CD GLU A 26 -3.195 -1.376 9.664 1.00 0.00 C ATOM 344 OE1 GLU A 26 -3.533 -0.485 10.473 1.00 0.00 O ATOM 345 OE2 GLU A 26 -3.765 -2.484 9.589 1.00 0.00 O ATOM 0 H GLU A 26 0.940 -2.094 8.530 1.00 0.00 H new ATOM 0 HA GLU A 26 -0.157 0.308 7.628 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -0.397 -1.433 10.059 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -1.078 0.179 10.154 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -2.338 -0.343 7.998 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -1.797 -2.001 8.170 1.00 0.00 H new ATOM 352 N GLY A 27 0.689 2.262 8.949 1.00 0.00 N ATOM 353 CA GLY A 27 1.362 3.398 9.549 1.00 0.00 C ATOM 354 C GLY A 27 2.706 3.683 8.906 1.00 0.00 C ATOM 355 O GLY A 27 3.601 4.239 9.543 1.00 0.00 O ATOM 0 H GLY A 27 -0.083 2.500 8.327 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.727 4.280 9.462 1.00 0.00 H new ATOM 0 HA3 GLY A 27 1.504 3.211 10.613 1.00 0.00 H new ATOM 359 N GLU A 28 2.849 3.301 7.641 1.00 0.00 N ATOM 360 CA GLU A 28 4.092 3.519 6.912 1.00 0.00 C ATOM 361 C GLU A 28 3.839 4.292 5.622 1.00 0.00 C ATOM 362 O GLU A 28 3.000 3.905 4.809 1.00 0.00 O ATOM 363 CB GLU A 28 4.763 2.180 6.595 1.00 0.00 C ATOM 364 CG GLU A 28 6.278 2.215 6.709 1.00 0.00 C ATOM 365 CD GLU A 28 6.749 2.458 8.130 1.00 0.00 C ATOM 366 OE1 GLU A 28 6.681 3.618 8.588 1.00 0.00 O ATOM 367 OE2 GLU A 28 7.186 1.488 8.784 1.00 0.00 O ATOM 0 H GLU A 28 2.119 2.839 7.100 1.00 0.00 H new ATOM 0 HA GLU A 28 4.755 4.110 7.544 1.00 0.00 H new ATOM 0 HB2 GLU A 28 4.374 1.419 7.272 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.490 1.877 5.584 1.00 0.00 H new ATOM 0 HG2 GLU A 28 6.688 1.271 6.351 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.670 2.999 6.061 1.00 0.00 H new ATOM 374 N PHE A 29 4.570 5.387 5.442 1.00 0.00 N ATOM 375 CA PHE A 29 4.424 6.215 4.251 1.00 0.00 C ATOM 376 C PHE A 29 5.030 5.527 3.033 1.00 0.00 C ATOM 377 O PHE A 29 6.206 5.161 3.035 1.00 0.00 O ATOM 378 CB PHE A 29 5.091 7.575 4.468 1.00 0.00 C ATOM 379 CG PHE A 29 4.201 8.579 5.144 1.00 0.00 C ATOM 380 CD1 PHE A 29 3.648 8.309 6.385 1.00 0.00 C ATOM 381 CD2 PHE A 29 3.918 9.792 4.536 1.00 0.00 C ATOM 382 CE1 PHE A 29 2.829 9.232 7.009 1.00 0.00 C ATOM 383 CE2 PHE A 29 3.099 10.718 5.156 1.00 0.00 C ATOM 384 CZ PHE A 29 2.555 10.437 6.394 1.00 0.00 C ATOM 0 H PHE A 29 5.269 5.721 6.105 1.00 0.00 H new ATOM 0 HA PHE A 29 3.360 6.364 4.069 1.00 0.00 H new ATOM 0 HB2 PHE A 29 5.991 7.438 5.067 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.408 7.973 3.504 1.00 0.00 H new ATOM 0 HD1 PHE A 29 3.859 7.368 6.870 1.00 0.00 H new ATOM 0 HD2 PHE A 29 4.341 10.016 3.568 1.00 0.00 H new ATOM 0 HE1 PHE A 29 2.404 9.010 7.977 1.00 0.00 H new ATOM 0 HE2 PHE A 29 2.885 11.660 4.673 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.916 11.159 6.880 1.00 0.00 H new ATOM 394 N VAL A 30 4.221 5.354 1.992 1.00 0.00 N ATOM 395 CA VAL A 30 4.678 4.709 0.767 1.00 0.00 C ATOM 396 C VAL A 30 4.295 5.528 -0.461 1.00 0.00 C ATOM 397 O VAL A 30 3.660 6.577 -0.348 1.00 0.00 O ATOM 398 CB VAL A 30 4.096 3.291 0.626 1.00 0.00 C ATOM 399 CG1 VAL A 30 4.763 2.338 1.606 1.00 0.00 C ATOM 400 CG2 VAL A 30 2.589 3.310 0.834 1.00 0.00 C ATOM 0 H VAL A 30 3.246 5.652 1.973 1.00 0.00 H new ATOM 0 HA VAL A 30 5.764 4.642 0.832 1.00 0.00 H new ATOM 0 HB VAL A 30 4.297 2.935 -0.384 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.338 1.341 1.491 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.834 2.301 1.406 1.00 0.00 H new ATOM 0 HG13 VAL A 30 4.596 2.688 2.625 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.195 2.299 0.731 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.364 3.687 1.832 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.127 3.958 0.089 1.00 0.00 H new ATOM 410 N THR A 31 4.684 5.041 -1.635 1.00 0.00 N ATOM 411 CA THR A 31 4.380 5.726 -2.886 1.00 0.00 C ATOM 412 C THR A 31 3.505 4.857 -3.784 1.00 0.00 C ATOM 413 O THR A 31 3.428 3.642 -3.603 1.00 0.00 O ATOM 414 CB THR A 31 5.672 6.095 -3.616 1.00 0.00 C ATOM 415 OG1 THR A 31 5.390 6.836 -4.791 1.00 0.00 O ATOM 416 CG2 THR A 31 6.497 4.893 -4.020 1.00 0.00 C ATOM 0 H THR A 31 5.210 4.174 -1.746 1.00 0.00 H new ATOM 0 HA THR A 31 3.832 6.638 -2.648 1.00 0.00 H new ATOM 0 HB THR A 31 6.247 6.686 -2.903 1.00 0.00 H new ATOM 0 HG1 THR A 31 6.229 7.064 -5.243 1.00 0.00 H new ATOM 0 HG21 THR A 31 7.399 5.227 -4.533 1.00 0.00 H new ATOM 0 HG22 THR A 31 6.774 4.326 -3.131 1.00 0.00 H new ATOM 0 HG23 THR A 31 5.913 4.259 -4.688 1.00 0.00 H new ATOM 424 N VAL A 32 2.849 5.488 -4.752 1.00 0.00 N ATOM 425 CA VAL A 32 1.980 4.771 -5.678 1.00 0.00 C ATOM 426 C VAL A 32 2.193 5.249 -7.111 1.00 0.00 C ATOM 427 O VAL A 32 1.493 6.142 -7.588 1.00 0.00 O ATOM 428 CB VAL A 32 0.496 4.946 -5.306 1.00 0.00 C ATOM 429 CG1 VAL A 32 -0.378 4.038 -6.157 1.00 0.00 C ATOM 430 CG2 VAL A 32 0.281 4.674 -3.826 1.00 0.00 C ATOM 0 H VAL A 32 2.902 6.493 -4.916 1.00 0.00 H new ATOM 0 HA VAL A 32 2.242 3.715 -5.606 1.00 0.00 H new ATOM 0 HB VAL A 32 0.209 5.978 -5.506 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.423 4.175 -5.880 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -0.246 4.288 -7.210 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -0.092 2.999 -5.992 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -0.773 4.803 -3.582 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.585 3.653 -3.596 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.877 5.371 -3.238 1.00 0.00 H new ATOM 496 N THR A 37 2.109 10.037 -2.646 1.00 0.00 N ATOM 497 CA THR A 37 2.451 9.106 -1.577 1.00 0.00 C ATOM 498 C THR A 37 1.261 8.881 -0.649 1.00 0.00 C ATOM 499 O THR A 37 0.554 9.823 -0.290 1.00 0.00 O ATOM 500 CB THR A 37 3.644 9.632 -0.776 1.00 0.00 C ATOM 501 OG1 THR A 37 3.325 10.862 -0.151 1.00 0.00 O ATOM 502 CG2 THR A 37 4.880 9.852 -1.622 1.00 0.00 C ATOM 0 HA THR A 37 2.719 8.153 -2.032 1.00 0.00 H new ATOM 0 HB THR A 37 3.861 8.860 -0.038 1.00 0.00 H new ATOM 0 HG1 THR A 37 2.628 11.319 -0.666 1.00 0.00 H new ATOM 0 HG21 THR A 37 5.689 10.225 -0.994 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.181 8.909 -2.079 1.00 0.00 H new ATOM 0 HG23 THR A 37 4.661 10.580 -2.403 1.00 0.00 H new ATOM 510 N GLY A 38 1.045 7.627 -0.266 1.00 0.00 N ATOM 511 CA GLY A 38 -0.061 7.300 0.616 1.00 0.00 C ATOM 512 C GLY A 38 0.371 6.462 1.802 1.00 0.00 C ATOM 513 O GLY A 38 1.352 5.721 1.722 1.00 0.00 O ATOM 0 H GLY A 38 1.616 6.831 -0.550 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -0.520 8.221 0.974 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.823 6.761 0.053 1.00 0.00 H new ATOM 517 N VAL A 39 -0.361 6.577 2.905 1.00 0.00 N ATOM 518 CA VAL A 39 -0.047 5.822 4.113 1.00 0.00 C ATOM 519 C VAL A 39 -0.765 4.477 4.123 1.00 0.00 C ATOM 520 O VAL A 39 -1.870 4.348 3.597 1.00 0.00 O ATOM 521 CB VAL A 39 -0.432 6.606 5.381 1.00 0.00 C ATOM 522 CG1 VAL A 39 0.083 5.897 6.625 1.00 0.00 C ATOM 523 CG2 VAL A 39 0.098 8.030 5.312 1.00 0.00 C ATOM 0 H VAL A 39 -1.175 7.185 2.988 1.00 0.00 H new ATOM 0 HA VAL A 39 1.030 5.656 4.111 1.00 0.00 H new ATOM 0 HB VAL A 39 -1.519 6.651 5.441 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.199 6.466 7.511 1.00 0.00 H new ATOM 0 HG12 VAL A 39 -0.352 4.899 6.681 1.00 0.00 H new ATOM 0 HG13 VAL A 39 1.169 5.817 6.575 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -0.184 8.568 6.217 1.00 0.00 H new ATOM 0 HG22 VAL A 39 1.184 8.010 5.226 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.326 8.534 4.443 1.00 0.00 H new ATOM 533 N VAL A 40 -0.130 3.477 4.726 1.00 0.00 N ATOM 534 CA VAL A 40 -0.708 2.142 4.806 1.00 0.00 C ATOM 535 C VAL A 40 -1.776 2.071 5.892 1.00 0.00 C ATOM 536 O VAL A 40 -1.505 2.338 7.063 1.00 0.00 O ATOM 537 CB VAL A 40 0.370 1.080 5.091 1.00 0.00 C ATOM 538 CG1 VAL A 40 -0.217 -0.320 4.991 1.00 0.00 C ATOM 539 CG2 VAL A 40 1.546 1.242 4.139 1.00 0.00 C ATOM 0 H VAL A 40 0.786 3.567 5.166 1.00 0.00 H new ATOM 0 HA VAL A 40 -1.164 1.935 3.838 1.00 0.00 H new ATOM 0 HB VAL A 40 0.733 1.224 6.108 1.00 0.00 H new ATOM 0 HG11 VAL A 40 0.560 -1.056 5.196 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -1.021 -0.430 5.718 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -0.611 -0.478 3.987 1.00 0.00 H new ATOM 0 HG21 VAL A 40 2.297 0.483 4.356 1.00 0.00 H new ATOM 0 HG22 VAL A 40 1.201 1.128 3.111 1.00 0.00 H new ATOM 0 HG23 VAL A 40 1.984 2.232 4.267 1.00 0.00 H new ATOM 549 N ARG A 41 -2.992 1.708 5.495 1.00 0.00 N ATOM 550 CA ARG A 41 -4.102 1.602 6.436 1.00 0.00 C ATOM 551 C ARG A 41 -4.474 0.142 6.678 1.00 0.00 C ATOM 552 O ARG A 41 -4.854 -0.237 7.785 1.00 0.00 O ATOM 553 CB ARG A 41 -5.317 2.368 5.912 1.00 0.00 C ATOM 554 CG ARG A 41 -5.014 3.812 5.543 1.00 0.00 C ATOM 555 CD ARG A 41 -5.184 4.740 6.736 1.00 0.00 C ATOM 556 NE ARG A 41 -6.416 5.522 6.650 1.00 0.00 N ATOM 557 CZ ARG A 41 -6.692 6.558 7.438 1.00 0.00 C ATOM 558 NH1 ARG A 41 -5.829 6.941 8.371 1.00 0.00 N ATOM 559 NH2 ARG A 41 -7.835 7.215 7.293 1.00 0.00 N ATOM 0 H ARG A 41 -3.233 1.483 4.530 1.00 0.00 H new ATOM 0 HA ARG A 41 -3.785 2.039 7.383 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -5.711 1.853 5.036 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -6.100 2.352 6.670 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -3.994 3.886 5.166 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -5.676 4.129 4.737 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.191 4.153 7.654 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -4.330 5.414 6.795 1.00 0.00 H new ATOM 0 HE ARG A 41 -7.104 5.258 5.945 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -4.948 6.440 8.487 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -6.047 7.736 8.972 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -8.502 6.926 6.578 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -8.047 8.009 7.897 1.00 0.00 H new ATOM 573 N TYR A 42 -4.362 -0.673 5.634 1.00 0.00 N ATOM 574 CA TYR A 42 -4.688 -2.090 5.733 1.00 0.00 C ATOM 575 C TYR A 42 -3.580 -2.948 5.130 1.00 0.00 C ATOM 576 O TYR A 42 -2.913 -2.541 4.179 1.00 0.00 O ATOM 577 CB TYR A 42 -6.014 -2.380 5.026 1.00 0.00 C ATOM 578 CG TYR A 42 -6.523 -3.786 5.247 1.00 0.00 C ATOM 579 CD1 TYR A 42 -6.073 -4.840 4.460 1.00 0.00 C ATOM 580 CD2 TYR A 42 -7.454 -4.060 6.240 1.00 0.00 C ATOM 581 CE1 TYR A 42 -6.535 -6.126 4.658 1.00 0.00 C ATOM 582 CE2 TYR A 42 -7.922 -5.345 6.444 1.00 0.00 C ATOM 583 CZ TYR A 42 -7.460 -6.374 5.651 1.00 0.00 C ATOM 584 OH TYR A 42 -7.923 -7.654 5.851 1.00 0.00 O ATOM 0 H TYR A 42 -4.048 -0.376 4.710 1.00 0.00 H new ATOM 0 HA TYR A 42 -4.783 -2.342 6.789 1.00 0.00 H new ATOM 0 HB2 TYR A 42 -6.765 -1.672 5.376 1.00 0.00 H new ATOM 0 HB3 TYR A 42 -5.890 -2.211 3.956 1.00 0.00 H new ATOM 0 HD1 TYR A 42 -5.350 -4.650 3.681 1.00 0.00 H new ATOM 0 HD2 TYR A 42 -7.818 -3.257 6.863 1.00 0.00 H new ATOM 0 HE1 TYR A 42 -6.174 -6.934 4.039 1.00 0.00 H new ATOM 0 HE2 TYR A 42 -8.646 -5.542 7.221 1.00 0.00 H new ATOM 0 HH TYR A 42 -8.568 -7.657 6.589 1.00 0.00 H new ATOM 594 N VAL A 43 -3.389 -4.138 5.693 1.00 0.00 N ATOM 595 CA VAL A 43 -2.362 -5.054 5.211 1.00 0.00 C ATOM 596 C VAL A 43 -2.746 -6.503 5.488 1.00 0.00 C ATOM 597 O VAL A 43 -2.584 -6.996 6.604 1.00 0.00 O ATOM 598 CB VAL A 43 -0.998 -4.763 5.864 1.00 0.00 C ATOM 599 CG1 VAL A 43 0.096 -5.593 5.210 1.00 0.00 C ATOM 600 CG2 VAL A 43 -0.672 -3.280 5.784 1.00 0.00 C ATOM 0 H VAL A 43 -3.931 -4.489 6.482 1.00 0.00 H new ATOM 0 HA VAL A 43 -2.281 -4.901 4.135 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.054 -5.042 6.916 1.00 0.00 H new ATOM 0 HG11 VAL A 43 1.052 -5.374 5.685 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -0.132 -6.652 5.326 1.00 0.00 H new ATOM 0 HG13 VAL A 43 0.153 -5.349 4.149 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.295 -3.094 6.251 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.636 -2.971 4.739 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -1.441 -2.710 6.305 1.00 0.00 H new ATOM 610 N GLY A 44 -3.256 -7.181 4.465 1.00 0.00 N ATOM 611 CA GLY A 44 -3.656 -8.567 4.620 1.00 0.00 C ATOM 612 C GLY A 44 -4.435 -9.085 3.425 1.00 0.00 C ATOM 613 O GLY A 44 -4.990 -8.298 2.657 1.00 0.00 O ATOM 0 H GLY A 44 -3.399 -6.795 3.532 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -2.769 -9.183 4.766 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -4.266 -8.667 5.518 1.00 0.00 H new ATOM 617 N PRO A 45 -4.494 -10.414 3.239 1.00 0.00 N ATOM 618 CA PRO A 45 -5.218 -11.024 2.119 1.00 0.00 C ATOM 619 C PRO A 45 -6.658 -10.530 2.024 1.00 0.00 C ATOM 620 O PRO A 45 -7.216 -10.022 2.996 1.00 0.00 O ATOM 621 CB PRO A 45 -5.186 -12.519 2.444 1.00 0.00 C ATOM 622 CG PRO A 45 -3.985 -12.694 3.307 1.00 0.00 C ATOM 623 CD PRO A 45 -3.861 -11.426 4.105 1.00 0.00 C ATOM 0 HA PRO A 45 -4.767 -10.775 1.159 1.00 0.00 H new ATOM 0 HB2 PRO A 45 -6.094 -12.831 2.961 1.00 0.00 H new ATOM 0 HB3 PRO A 45 -5.113 -13.120 1.537 1.00 0.00 H new ATOM 0 HG2 PRO A 45 -4.098 -13.558 3.962 1.00 0.00 H new ATOM 0 HG3 PRO A 45 -3.093 -12.865 2.704 1.00 0.00 H new ATOM 0 HD2 PRO A 45 -4.368 -11.505 5.067 1.00 0.00 H new ATOM 0 HD3 PRO A 45 -2.819 -11.182 4.313 1.00 0.00 H new ATOM 631 N ALA A 46 -7.254 -10.683 0.846 1.00 0.00 N ATOM 632 CA ALA A 46 -8.629 -10.253 0.624 1.00 0.00 C ATOM 633 C ALA A 46 -9.568 -11.449 0.522 1.00 0.00 C ATOM 634 O ALA A 46 -9.129 -12.599 0.539 1.00 0.00 O ATOM 635 CB ALA A 46 -8.718 -9.401 -0.634 1.00 0.00 C ATOM 0 H ALA A 46 -6.806 -11.102 0.031 1.00 0.00 H new ATOM 0 HA ALA A 46 -8.939 -9.653 1.479 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -9.750 -9.087 -0.788 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -8.083 -8.522 -0.524 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -8.384 -9.984 -1.493 1.00 0.00 H new ATOM 641 N ASP A 47 -10.864 -11.171 0.416 1.00 0.00 N ATOM 642 CA ASP A 47 -11.866 -12.226 0.312 1.00 0.00 C ATOM 643 C ASP A 47 -12.358 -12.369 -1.125 1.00 0.00 C ATOM 644 O ASP A 47 -12.710 -13.462 -1.565 1.00 0.00 O ATOM 645 CB ASP A 47 -13.045 -11.931 1.240 1.00 0.00 C ATOM 646 CG ASP A 47 -13.632 -13.190 1.848 1.00 0.00 C ATOM 647 OD1 ASP A 47 -12.928 -14.221 1.872 1.00 0.00 O ATOM 648 OD2 ASP A 47 -14.796 -13.144 2.299 1.00 0.00 O ATOM 0 H ASP A 47 -11.244 -10.225 0.400 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.402 -13.165 0.613 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.718 -11.264 2.038 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -13.820 -11.405 0.682 1.00 0.00 H new ATOM 653 N PHE A 48 -12.378 -11.255 -1.851 1.00 0.00 N ATOM 654 CA PHE A 48 -12.827 -11.256 -3.238 1.00 0.00 C ATOM 655 C PHE A 48 -11.725 -11.759 -4.166 1.00 0.00 C ATOM 656 O PHE A 48 -12.001 -12.375 -5.195 1.00 0.00 O ATOM 657 CB PHE A 48 -13.260 -9.850 -3.657 1.00 0.00 C ATOM 658 CG PHE A 48 -12.160 -8.831 -3.565 1.00 0.00 C ATOM 659 CD1 PHE A 48 -11.306 -8.616 -4.635 1.00 0.00 C ATOM 660 CD2 PHE A 48 -11.980 -8.090 -2.408 1.00 0.00 C ATOM 661 CE1 PHE A 48 -10.293 -7.679 -4.554 1.00 0.00 C ATOM 662 CE2 PHE A 48 -10.968 -7.152 -2.321 1.00 0.00 C ATOM 663 CZ PHE A 48 -10.124 -6.946 -3.394 1.00 0.00 C ATOM 0 H PHE A 48 -12.089 -10.341 -1.502 1.00 0.00 H new ATOM 0 HA PHE A 48 -13.680 -11.930 -3.317 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -13.629 -9.883 -4.682 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -14.092 -9.532 -3.029 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -11.433 -9.187 -5.543 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -12.637 -8.247 -1.565 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -9.635 -7.520 -5.395 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -10.838 -6.581 -1.414 1.00 0.00 H new ATOM 0 HZ PHE A 48 -9.333 -6.214 -3.327 1.00 0.00 H new ATOM 673 N GLN A 49 -10.477 -11.490 -3.795 1.00 0.00 N ATOM 674 CA GLN A 49 -9.335 -11.915 -4.595 1.00 0.00 C ATOM 675 C GLN A 49 -8.201 -12.412 -3.703 1.00 0.00 C ATOM 676 O GLN A 49 -8.029 -11.939 -2.579 1.00 0.00 O ATOM 677 CB GLN A 49 -8.842 -10.761 -5.472 1.00 0.00 C ATOM 678 CG GLN A 49 -9.474 -10.735 -6.853 1.00 0.00 C ATOM 679 CD GLN A 49 -9.020 -11.890 -7.724 1.00 0.00 C ATOM 680 OE1 GLN A 49 -9.435 -13.033 -7.524 1.00 0.00 O ATOM 681 NE2 GLN A 49 -8.163 -11.599 -8.695 1.00 0.00 N ATOM 0 H GLN A 49 -10.232 -10.980 -2.946 1.00 0.00 H new ATOM 0 HA GLN A 49 -9.657 -12.737 -5.235 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -9.051 -9.817 -4.968 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -7.760 -10.833 -5.578 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -10.559 -10.765 -6.753 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -9.225 -9.794 -7.345 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -7.846 -10.638 -8.824 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -7.822 -12.336 -9.312 1.00 0.00 H new ATOM 690 N GLU A 50 -7.431 -13.367 -4.212 1.00 0.00 N ATOM 691 CA GLU A 50 -6.313 -13.928 -3.462 1.00 0.00 C ATOM 692 C GLU A 50 -5.114 -12.986 -3.488 1.00 0.00 C ATOM 693 O GLU A 50 -4.922 -12.235 -4.444 1.00 0.00 O ATOM 694 CB GLU A 50 -5.919 -15.291 -4.036 1.00 0.00 C ATOM 695 CG GLU A 50 -5.600 -15.255 -5.521 1.00 0.00 C ATOM 696 CD GLU A 50 -6.773 -15.689 -6.379 1.00 0.00 C ATOM 697 OE1 GLU A 50 -7.448 -16.671 -6.009 1.00 0.00 O ATOM 698 OE2 GLU A 50 -7.015 -15.044 -7.422 1.00 0.00 O ATOM 0 H GLU A 50 -7.560 -13.769 -5.141 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.630 -14.056 -2.427 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -5.050 -15.667 -3.495 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.731 -15.997 -3.864 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.304 -14.244 -5.801 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -4.748 -15.904 -5.722 1.00 0.00 H new ATOM 705 N GLY A 51 -4.309 -13.031 -2.431 1.00 0.00 N ATOM 706 CA GLY A 51 -3.139 -12.177 -2.353 1.00 0.00 C ATOM 707 C GLY A 51 -3.277 -11.099 -1.296 1.00 0.00 C ATOM 708 O GLY A 51 -4.381 -10.625 -1.025 1.00 0.00 O ATOM 0 H GLY A 51 -4.447 -13.644 -1.627 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -2.262 -12.786 -2.134 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.968 -11.710 -3.323 1.00 0.00 H new ATOM 712 N THR A 52 -2.157 -10.710 -0.698 1.00 0.00 N ATOM 713 CA THR A 52 -2.159 -9.681 0.336 1.00 0.00 C ATOM 714 C THR A 52 -2.402 -8.302 -0.270 1.00 0.00 C ATOM 715 O THR A 52 -1.617 -7.825 -1.090 1.00 0.00 O ATOM 716 CB THR A 52 -0.831 -9.690 1.096 1.00 0.00 C ATOM 717 OG1 THR A 52 -0.508 -11.001 1.524 1.00 0.00 O ATOM 718 CG2 THR A 52 -0.837 -8.797 2.317 1.00 0.00 C ATOM 0 H THR A 52 -1.235 -11.092 -0.911 1.00 0.00 H new ATOM 0 HA THR A 52 -2.969 -9.901 1.031 1.00 0.00 H new ATOM 0 HB THR A 52 -0.091 -9.311 0.391 1.00 0.00 H new ATOM 0 HG1 THR A 52 0.345 -10.987 2.006 1.00 0.00 H new ATOM 0 HG21 THR A 52 0.134 -8.849 2.810 1.00 0.00 H new ATOM 0 HG22 THR A 52 -1.036 -7.769 2.015 1.00 0.00 H new ATOM 0 HG23 THR A 52 -1.613 -9.129 3.007 1.00 0.00 H new ATOM 726 N TRP A 53 -3.495 -7.667 0.139 1.00 0.00 N ATOM 727 CA TRP A 53 -3.842 -6.343 -0.362 1.00 0.00 C ATOM 728 C TRP A 53 -3.459 -5.261 0.643 1.00 0.00 C ATOM 729 O TRP A 53 -3.733 -5.385 1.837 1.00 0.00 O ATOM 730 CB TRP A 53 -5.339 -6.265 -0.667 1.00 0.00 C ATOM 731 CG TRP A 53 -5.752 -7.112 -1.833 1.00 0.00 C ATOM 732 CD1 TRP A 53 -6.055 -8.442 -1.812 1.00 0.00 C ATOM 733 CD2 TRP A 53 -5.905 -6.684 -3.191 1.00 0.00 C ATOM 734 NE1 TRP A 53 -6.388 -8.869 -3.075 1.00 0.00 N ATOM 735 CE2 TRP A 53 -6.304 -7.809 -3.939 1.00 0.00 C ATOM 736 CE3 TRP A 53 -5.745 -5.461 -3.847 1.00 0.00 C ATOM 737 CZ2 TRP A 53 -6.544 -7.744 -5.309 1.00 0.00 C ATOM 738 CZ3 TRP A 53 -5.983 -5.398 -5.207 1.00 0.00 C ATOM 739 CH2 TRP A 53 -6.380 -6.534 -5.925 1.00 0.00 C ATOM 0 H TRP A 53 -4.156 -8.048 0.816 1.00 0.00 H new ATOM 0 HA TRP A 53 -3.282 -6.173 -1.281 1.00 0.00 H new ATOM 0 HB2 TRP A 53 -5.899 -6.576 0.215 1.00 0.00 H new ATOM 0 HB3 TRP A 53 -5.608 -5.228 -0.867 1.00 0.00 H new ATOM 0 HD1 TRP A 53 -6.036 -9.068 -0.932 1.00 0.00 H new ATOM 0 HE1 TRP A 53 -6.654 -9.820 -3.328 1.00 0.00 H new ATOM 0 HE3 TRP A 53 -5.441 -4.580 -3.301 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 -6.849 -8.618 -5.865 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 -5.861 -4.458 -5.725 1.00 0.00 H new ATOM 0 HH2 TRP A 53 -6.560 -6.452 -6.987 1.00 0.00 H new ATOM 750 N VAL A 54 -2.824 -4.202 0.152 1.00 0.00 N ATOM 751 CA VAL A 54 -2.403 -3.099 1.008 1.00 0.00 C ATOM 752 C VAL A 54 -3.246 -1.855 0.753 1.00 0.00 C ATOM 753 O VAL A 54 -3.368 -1.397 -0.383 1.00 0.00 O ATOM 754 CB VAL A 54 -0.917 -2.753 0.789 1.00 0.00 C ATOM 755 CG1 VAL A 54 -0.454 -1.709 1.793 1.00 0.00 C ATOM 756 CG2 VAL A 54 -0.056 -4.006 0.877 1.00 0.00 C ATOM 0 H VAL A 54 -2.590 -4.084 -0.834 1.00 0.00 H new ATOM 0 HA VAL A 54 -2.544 -3.426 2.038 1.00 0.00 H new ATOM 0 HB VAL A 54 -0.807 -2.334 -0.211 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.598 -1.479 1.621 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -1.047 -0.802 1.675 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.580 -2.096 2.804 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.989 -3.741 0.720 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.171 -4.458 1.862 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.369 -4.717 0.112 1.00 0.00 H new ATOM 766 N GLY A 55 -3.828 -1.313 1.817 1.00 0.00 N ATOM 767 CA GLY A 55 -4.652 -0.125 1.688 1.00 0.00 C ATOM 768 C GLY A 55 -3.836 1.153 1.707 1.00 0.00 C ATOM 769 O GLY A 55 -3.071 1.394 2.640 1.00 0.00 O ATOM 0 H GLY A 55 -3.744 -1.675 2.767 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -5.217 -0.178 0.757 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -5.378 -0.101 2.500 1.00 0.00 H new ATOM 773 N VAL A 56 -4.001 1.973 0.674 1.00 0.00 N ATOM 774 CA VAL A 56 -3.274 3.233 0.575 1.00 0.00 C ATOM 775 C VAL A 56 -4.218 4.422 0.718 1.00 0.00 C ATOM 776 O VAL A 56 -5.108 4.625 -0.108 1.00 0.00 O ATOM 777 CB VAL A 56 -2.525 3.346 -0.766 1.00 0.00 C ATOM 778 CG1 VAL A 56 -1.567 4.527 -0.745 1.00 0.00 C ATOM 779 CG2 VAL A 56 -1.782 2.055 -1.077 1.00 0.00 C ATOM 0 H VAL A 56 -4.632 1.787 -0.106 1.00 0.00 H new ATOM 0 HA VAL A 56 -2.549 3.246 1.389 1.00 0.00 H new ATOM 0 HB VAL A 56 -3.258 3.514 -1.555 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -1.047 4.591 -1.701 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -2.127 5.447 -0.574 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -0.840 4.391 0.055 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -1.260 2.156 -2.028 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -1.060 1.851 -0.286 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -2.494 1.232 -1.139 1.00 0.00 H new ATOM 789 N GLU A 57 -4.016 5.208 1.771 1.00 0.00 N ATOM 790 CA GLU A 57 -4.850 6.378 2.022 1.00 0.00 C ATOM 791 C GLU A 57 -4.398 7.560 1.170 1.00 0.00 C ATOM 792 O GLU A 57 -3.307 8.096 1.364 1.00 0.00 O ATOM 793 CB GLU A 57 -4.805 6.755 3.504 1.00 0.00 C ATOM 794 CG GLU A 57 -5.779 7.860 3.880 1.00 0.00 C ATOM 795 CD GLU A 57 -5.181 9.243 3.718 1.00 0.00 C ATOM 796 OE1 GLU A 57 -4.527 9.722 4.668 1.00 0.00 O ATOM 797 OE2 GLU A 57 -5.367 9.848 2.642 1.00 0.00 O ATOM 0 H GLU A 57 -3.283 5.056 2.464 1.00 0.00 H new ATOM 0 HA GLU A 57 -5.875 6.128 1.750 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -5.023 5.870 4.102 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -3.794 7.071 3.760 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -6.672 7.779 3.260 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -6.096 7.724 4.914 1.00 0.00 H new ATOM 804 N LEU A 58 -5.245 7.962 0.228 1.00 0.00 N ATOM 805 CA LEU A 58 -4.933 9.081 -0.653 1.00 0.00 C ATOM 806 C LEU A 58 -5.410 10.398 -0.050 1.00 0.00 C ATOM 807 O LEU A 58 -6.604 10.589 0.184 1.00 0.00 O ATOM 808 CB LEU A 58 -5.577 8.873 -2.025 1.00 0.00 C ATOM 809 CG LEU A 58 -5.170 7.584 -2.742 1.00 0.00 C ATOM 810 CD1 LEU A 58 -6.019 7.374 -3.985 1.00 0.00 C ATOM 811 CD2 LEU A 58 -3.692 7.620 -3.101 1.00 0.00 C ATOM 0 H LEU A 58 -6.152 7.529 0.055 1.00 0.00 H new ATOM 0 HA LEU A 58 -3.850 9.127 -0.770 1.00 0.00 H new ATOM 0 HB2 LEU A 58 -6.660 8.878 -1.906 1.00 0.00 H new ATOM 0 HB3 LEU A 58 -5.323 9.721 -2.661 1.00 0.00 H new ATOM 0 HG LEU A 58 -5.339 6.745 -2.067 1.00 0.00 H new ATOM 0 HD11 LEU A 58 -5.715 6.453 -4.482 1.00 0.00 H new ATOM 0 HD12 LEU A 58 -7.069 7.304 -3.701 1.00 0.00 H new ATOM 0 HD13 LEU A 58 -5.883 8.215 -4.665 1.00 0.00 H new ATOM 0 HD21 LEU A 58 -3.419 6.696 -3.610 1.00 0.00 H new ATOM 0 HD22 LEU A 58 -3.498 8.468 -3.758 1.00 0.00 H new ATOM 0 HD23 LEU A 58 -3.099 7.722 -2.192 1.00 0.00 H new ATOM 823 N ASP A 59 -4.470 11.302 0.202 1.00 0.00 N ATOM 824 CA ASP A 59 -4.794 12.602 0.780 1.00 0.00 C ATOM 825 C ASP A 59 -5.622 13.439 -0.191 1.00 0.00 C ATOM 826 O ASP A 59 -6.438 14.261 0.224 1.00 0.00 O ATOM 827 CB ASP A 59 -3.514 13.351 1.153 1.00 0.00 C ATOM 828 CG ASP A 59 -2.618 13.600 -0.045 1.00 0.00 C ATOM 829 OD1 ASP A 59 -1.980 12.637 -0.520 1.00 0.00 O ATOM 830 OD2 ASP A 59 -2.557 14.758 -0.510 1.00 0.00 O ATOM 0 H ASP A 59 -3.477 11.159 0.015 1.00 0.00 H new ATOM 0 HA ASP A 59 -5.384 12.434 1.681 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -3.775 14.305 1.612 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -2.966 12.777 1.900 1.00 0.00 H new ATOM 835 N LEU A 60 -5.405 13.225 -1.486 1.00 0.00 N ATOM 836 CA LEU A 60 -6.131 13.963 -2.513 1.00 0.00 C ATOM 837 C LEU A 60 -7.149 13.063 -3.212 1.00 0.00 C ATOM 838 O LEU A 60 -6.864 11.901 -3.503 1.00 0.00 O ATOM 839 CB LEU A 60 -5.156 14.538 -3.541 1.00 0.00 C ATOM 840 CG LEU A 60 -4.360 15.757 -3.069 1.00 0.00 C ATOM 841 CD1 LEU A 60 -3.186 16.020 -3.997 1.00 0.00 C ATOM 842 CD2 LEU A 60 -5.261 16.980 -2.986 1.00 0.00 C ATOM 0 H LEU A 60 -4.733 12.548 -1.848 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.665 14.781 -2.029 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.455 13.756 -3.831 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.715 14.813 -4.435 1.00 0.00 H new ATOM 0 HG LEU A 60 -3.969 15.549 -2.073 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -2.632 16.890 -3.645 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -2.528 15.151 -4.007 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -3.554 16.208 -5.006 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -4.680 17.838 -2.649 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -5.681 17.190 -3.970 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.069 16.789 -2.280 1.00 0.00 H new ATOM 854 N PRO A 61 -8.356 13.587 -3.494 1.00 0.00 N ATOM 855 CA PRO A 61 -9.412 12.820 -4.164 1.00 0.00 C ATOM 856 C PRO A 61 -8.946 12.233 -5.493 1.00 0.00 C ATOM 857 O PRO A 61 -8.933 12.919 -6.515 1.00 0.00 O ATOM 858 CB PRO A 61 -10.519 13.852 -4.399 1.00 0.00 C ATOM 859 CG PRO A 61 -10.275 14.911 -3.380 1.00 0.00 C ATOM 860 CD PRO A 61 -8.787 14.964 -3.187 1.00 0.00 C ATOM 0 HA PRO A 61 -9.730 11.966 -3.567 1.00 0.00 H new ATOM 0 HB2 PRO A 61 -10.473 14.258 -5.410 1.00 0.00 H new ATOM 0 HB3 PRO A 61 -11.507 13.407 -4.278 1.00 0.00 H new ATOM 0 HG2 PRO A 61 -10.659 15.873 -3.718 1.00 0.00 H new ATOM 0 HG3 PRO A 61 -10.782 14.676 -2.444 1.00 0.00 H new ATOM 0 HD2 PRO A 61 -8.320 15.690 -3.853 1.00 0.00 H new ATOM 0 HD3 PRO A 61 -8.523 15.251 -2.169 1.00 0.00 H new ATOM 868 N SER A 62 -8.562 10.961 -5.471 1.00 0.00 N ATOM 869 CA SER A 62 -8.096 10.283 -6.675 1.00 0.00 C ATOM 870 C SER A 62 -8.024 8.776 -6.458 1.00 0.00 C ATOM 871 O SER A 62 -7.113 8.109 -6.951 1.00 0.00 O ATOM 872 CB SER A 62 -6.722 10.820 -7.087 1.00 0.00 C ATOM 873 OG SER A 62 -6.676 11.089 -8.478 1.00 0.00 O ATOM 0 H SER A 62 -8.564 10.379 -4.633 1.00 0.00 H new ATOM 0 HA SER A 62 -8.810 10.481 -7.474 1.00 0.00 H new ATOM 0 HB2 SER A 62 -6.502 11.731 -6.530 1.00 0.00 H new ATOM 0 HB3 SER A 62 -5.952 10.094 -6.828 1.00 0.00 H new ATOM 0 HG SER A 62 -5.789 11.432 -8.716 1.00 0.00 H new ATOM 879 N GLY A 63 -8.990 8.243 -5.717 1.00 0.00 N ATOM 880 CA GLY A 63 -9.018 6.816 -5.448 1.00 0.00 C ATOM 881 C GLY A 63 -10.257 6.146 -6.009 1.00 0.00 C ATOM 882 O GLY A 63 -10.864 6.640 -6.958 1.00 0.00 O ATOM 0 H GLY A 63 -9.754 8.773 -5.298 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.131 6.351 -5.877 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -8.975 6.651 -4.371 1.00 0.00 H new ATOM 886 N LYS A 64 -10.633 5.015 -5.418 1.00 0.00 N ATOM 887 CA LYS A 64 -11.807 4.274 -5.864 1.00 0.00 C ATOM 888 C LYS A 64 -12.654 3.831 -4.676 1.00 0.00 C ATOM 889 O LYS A 64 -13.813 4.226 -4.545 1.00 0.00 O ATOM 890 CB LYS A 64 -11.385 3.055 -6.687 1.00 0.00 C ATOM 891 CG LYS A 64 -12.505 2.478 -7.539 1.00 0.00 C ATOM 892 CD LYS A 64 -12.364 2.884 -8.997 1.00 0.00 C ATOM 893 CE LYS A 64 -11.129 2.268 -9.634 1.00 0.00 C ATOM 894 NZ LYS A 64 -10.145 3.304 -10.055 1.00 0.00 N ATOM 0 H LYS A 64 -10.142 4.593 -4.630 1.00 0.00 H new ATOM 0 HA LYS A 64 -12.407 4.935 -6.489 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -10.554 3.334 -7.335 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -11.017 2.281 -6.013 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -12.499 1.391 -7.461 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -13.467 2.820 -7.157 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -13.251 2.574 -9.549 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -12.307 3.970 -9.069 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -10.658 1.586 -8.926 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -11.425 1.675 -10.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -9.211 2.865 -10.180 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -10.451 3.729 -10.954 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -10.085 4.043 -9.326 1.00 0.00 H new ATOM 908 N ASN A 65 -12.068 3.009 -3.811 1.00 0.00 N ATOM 909 CA ASN A 65 -12.768 2.513 -2.633 1.00 0.00 C ATOM 910 C ASN A 65 -13.031 3.641 -1.641 1.00 0.00 C ATOM 911 O ASN A 65 -12.146 4.449 -1.355 1.00 0.00 O ATOM 912 CB ASN A 65 -11.957 1.406 -1.959 1.00 0.00 C ATOM 913 CG ASN A 65 -11.469 0.364 -2.947 1.00 0.00 C ATOM 914 OD1 ASN A 65 -10.310 -0.048 -2.911 1.00 0.00 O ATOM 915 ND2 ASN A 65 -12.355 -0.068 -3.837 1.00 0.00 N ATOM 0 H ASN A 65 -11.110 2.673 -3.905 1.00 0.00 H new ATOM 0 HA ASN A 65 -13.726 2.106 -2.956 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -11.101 1.846 -1.447 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -12.569 0.923 -1.198 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -12.085 -0.769 -4.527 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -13.306 0.301 -3.831 1.00 0.00 H new ATOM 922 N ASP A 66 -14.252 3.691 -1.117 1.00 0.00 N ATOM 923 CA ASP A 66 -14.630 4.720 -0.157 1.00 0.00 C ATOM 924 C ASP A 66 -14.497 4.207 1.274 1.00 0.00 C ATOM 925 O ASP A 66 -15.342 4.482 2.125 1.00 0.00 O ATOM 926 CB ASP A 66 -16.066 5.183 -0.413 1.00 0.00 C ATOM 927 CG ASP A 66 -16.316 5.511 -1.872 1.00 0.00 C ATOM 928 OD1 ASP A 66 -15.540 6.306 -2.444 1.00 0.00 O ATOM 929 OD2 ASP A 66 -17.288 4.974 -2.443 1.00 0.00 O ATOM 0 H ASP A 66 -14.996 3.030 -1.342 1.00 0.00 H new ATOM 0 HA ASP A 66 -13.954 5.565 -0.285 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -16.758 4.404 -0.095 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -16.275 6.063 0.195 1.00 0.00 H new ATOM 934 N GLY A 67 -13.427 3.461 1.531 1.00 0.00 N ATOM 935 CA GLY A 67 -13.203 2.922 2.860 1.00 0.00 C ATOM 936 C GLY A 67 -13.499 1.437 2.941 1.00 0.00 C ATOM 937 O GLY A 67 -12.916 0.725 3.759 1.00 0.00 O ATOM 0 H GLY A 67 -12.712 3.221 0.844 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -12.168 3.099 3.151 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -13.831 3.454 3.575 1.00 0.00 H new ATOM 941 N SER A 68 -14.406 0.969 2.091 1.00 0.00 N ATOM 942 CA SER A 68 -14.779 -0.441 2.070 1.00 0.00 C ATOM 943 C SER A 68 -15.097 -0.901 0.651 1.00 0.00 C ATOM 944 O SER A 68 -15.608 -0.129 -0.161 1.00 0.00 O ATOM 945 CB SER A 68 -15.985 -0.684 2.980 1.00 0.00 C ATOM 946 OG SER A 68 -17.129 0.001 2.502 1.00 0.00 O ATOM 0 H SER A 68 -14.897 1.545 1.407 1.00 0.00 H new ATOM 0 HA SER A 68 -13.932 -1.020 2.437 1.00 0.00 H new ATOM 0 HB2 SER A 68 -16.194 -1.752 3.036 1.00 0.00 H new ATOM 0 HB3 SER A 68 -15.754 -0.351 3.992 1.00 0.00 H new ATOM 0 HG SER A 68 -17.887 -0.171 3.099 1.00 0.00 H new ATOM 952 N ILE A 69 -14.791 -2.161 0.361 1.00 0.00 N ATOM 953 CA ILE A 69 -15.044 -2.723 -0.961 1.00 0.00 C ATOM 954 C ILE A 69 -16.171 -3.749 -0.914 1.00 0.00 C ATOM 955 O ILE A 69 -16.126 -4.699 -0.131 1.00 0.00 O ATOM 956 CB ILE A 69 -13.782 -3.389 -1.539 1.00 0.00 C ATOM 957 CG1 ILE A 69 -12.579 -2.453 -1.412 1.00 0.00 C ATOM 958 CG2 ILE A 69 -14.007 -3.777 -2.993 1.00 0.00 C ATOM 959 CD1 ILE A 69 -11.276 -3.080 -1.858 1.00 0.00 C ATOM 0 H ILE A 69 -14.368 -2.812 1.023 1.00 0.00 H new ATOM 0 HA ILE A 69 -15.336 -1.895 -1.607 1.00 0.00 H new ATOM 0 HB ILE A 69 -13.574 -4.295 -0.969 1.00 0.00 H new ATOM 0 HG12 ILE A 69 -12.763 -1.556 -2.004 1.00 0.00 H new ATOM 0 HG13 ILE A 69 -12.484 -2.136 -0.374 1.00 0.00 H new ATOM 0 HG21 ILE A 69 -13.106 -4.247 -3.388 1.00 0.00 H new ATOM 0 HG22 ILE A 69 -14.840 -4.477 -3.058 1.00 0.00 H new ATOM 0 HG23 ILE A 69 -14.237 -2.885 -3.576 1.00 0.00 H new ATOM 0 HD11 ILE A 69 -10.467 -2.360 -1.740 1.00 0.00 H new ATOM 0 HD12 ILE A 69 -11.069 -3.961 -1.250 1.00 0.00 H new ATOM 0 HD13 ILE A 69 -11.352 -3.372 -2.905 1.00 0.00 H new ATOM 971 N GLY A 70 -17.180 -3.552 -1.755 1.00 0.00 N ATOM 972 CA GLY A 70 -18.304 -4.469 -1.792 1.00 0.00 C ATOM 973 C GLY A 70 -19.076 -4.494 -0.489 1.00 0.00 C ATOM 974 O GLY A 70 -20.100 -3.823 -0.353 1.00 0.00 O ATOM 0 H GLY A 70 -17.240 -2.774 -2.412 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -18.975 -4.184 -2.602 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -17.943 -5.473 -2.016 1.00 0.00 H new ATOM 978 N GLY A 71 -18.583 -5.266 0.475 1.00 0.00 N ATOM 979 CA GLY A 71 -19.245 -5.360 1.762 1.00 0.00 C ATOM 980 C GLY A 71 -18.286 -5.712 2.881 1.00 0.00 C ATOM 981 O GLY A 71 -18.677 -6.332 3.871 1.00 0.00 O ATOM 0 H GLY A 71 -17.736 -5.828 0.387 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -19.730 -4.410 1.988 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -20.030 -6.114 1.709 1.00 0.00 H new ATOM 985 N LYS A 72 -17.027 -5.316 2.726 1.00 0.00 N ATOM 986 CA LYS A 72 -16.008 -5.592 3.733 1.00 0.00 C ATOM 987 C LYS A 72 -15.184 -4.343 4.031 1.00 0.00 C ATOM 988 O LYS A 72 -14.359 -3.924 3.218 1.00 0.00 O ATOM 989 CB LYS A 72 -15.091 -6.722 3.263 1.00 0.00 C ATOM 990 CG LYS A 72 -14.220 -7.299 4.368 1.00 0.00 C ATOM 991 CD LYS A 72 -14.815 -8.577 4.940 1.00 0.00 C ATOM 992 CE LYS A 72 -15.309 -8.374 6.364 1.00 0.00 C ATOM 993 NZ LYS A 72 -16.070 -9.553 6.863 1.00 0.00 N ATOM 0 H LYS A 72 -16.687 -4.803 1.913 1.00 0.00 H new ATOM 0 HA LYS A 72 -16.512 -5.899 4.649 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -15.700 -7.520 2.838 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.450 -6.350 2.464 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -13.223 -7.504 3.977 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -14.105 -6.563 5.163 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -15.641 -8.908 4.311 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -14.065 -9.368 4.923 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -14.459 -8.187 7.020 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -15.944 -7.489 6.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -16.389 -9.374 7.837 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -16.896 -9.717 6.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -15.457 -10.393 6.849 1.00 0.00 H new ATOM 1007 N GLN A 73 -15.414 -3.752 5.198 1.00 0.00 N ATOM 1008 CA GLN A 73 -14.692 -2.552 5.603 1.00 0.00 C ATOM 1009 C GLN A 73 -13.245 -2.879 5.953 1.00 0.00 C ATOM 1010 O GLN A 73 -12.971 -3.844 6.666 1.00 0.00 O ATOM 1011 CB GLN A 73 -15.383 -1.894 6.799 1.00 0.00 C ATOM 1012 CG GLN A 73 -15.323 -0.376 6.777 1.00 0.00 C ATOM 1013 CD GLN A 73 -15.855 0.248 8.052 1.00 0.00 C ATOM 1014 OE1 GLN A 73 -16.146 -0.451 9.023 1.00 0.00 O ATOM 1015 NE2 GLN A 73 -15.988 1.569 8.055 1.00 0.00 N ATOM 0 H GLN A 73 -16.095 -4.085 5.880 1.00 0.00 H new ATOM 0 HA GLN A 73 -14.695 -1.857 4.764 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -16.427 -2.208 6.823 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -14.921 -2.254 7.718 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -14.291 -0.059 6.625 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -15.898 -0.006 5.928 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -15.734 2.109 7.228 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -16.344 2.044 8.885 1.00 0.00 H new ATOM 1024 N TYR A 74 -12.321 -2.069 5.448 1.00 0.00 N ATOM 1025 CA TYR A 74 -10.900 -2.272 5.709 1.00 0.00 C ATOM 1026 C TYR A 74 -10.369 -1.221 6.678 1.00 0.00 C ATOM 1027 O TYR A 74 -9.875 -1.550 7.756 1.00 0.00 O ATOM 1028 CB TYR A 74 -10.108 -2.223 4.401 1.00 0.00 C ATOM 1029 CG TYR A 74 -10.473 -3.324 3.430 1.00 0.00 C ATOM 1030 CD1 TYR A 74 -9.967 -4.609 3.585 1.00 0.00 C ATOM 1031 CD2 TYR A 74 -11.322 -3.078 2.358 1.00 0.00 C ATOM 1032 CE1 TYR A 74 -10.298 -5.617 2.701 1.00 0.00 C ATOM 1033 CE2 TYR A 74 -11.658 -4.083 1.469 1.00 0.00 C ATOM 1034 CZ TYR A 74 -11.142 -5.350 1.645 1.00 0.00 C ATOM 1035 OH TYR A 74 -11.473 -6.352 0.761 1.00 0.00 O ATOM 0 H TYR A 74 -12.530 -1.266 4.855 1.00 0.00 H new ATOM 0 HA TYR A 74 -10.777 -3.255 6.164 1.00 0.00 H new ATOM 0 HB2 TYR A 74 -10.273 -1.258 3.922 1.00 0.00 H new ATOM 0 HB3 TYR A 74 -9.044 -2.288 4.628 1.00 0.00 H new ATOM 0 HD1 TYR A 74 -9.304 -4.823 4.410 1.00 0.00 H new ATOM 0 HD2 TYR A 74 -11.726 -2.086 2.217 1.00 0.00 H new ATOM 0 HE1 TYR A 74 -9.897 -6.611 2.837 1.00 0.00 H new ATOM 0 HE2 TYR A 74 -12.321 -3.877 0.642 1.00 0.00 H new ATOM 0 HH TYR A 74 -12.077 -5.997 0.076 1.00 0.00 H new ATOM 1045 N PHE A 75 -10.474 0.044 6.285 1.00 0.00 N ATOM 1046 CA PHE A 75 -10.004 1.144 7.120 1.00 0.00 C ATOM 1047 C PHE A 75 -11.022 2.279 7.146 1.00 0.00 C ATOM 1048 O PHE A 75 -11.889 2.370 6.277 1.00 0.00 O ATOM 1049 CB PHE A 75 -8.659 1.662 6.605 1.00 0.00 C ATOM 1050 CG PHE A 75 -8.657 1.971 5.136 1.00 0.00 C ATOM 1051 CD1 PHE A 75 -9.210 3.150 4.660 1.00 0.00 C ATOM 1052 CD2 PHE A 75 -8.103 1.082 4.229 1.00 0.00 C ATOM 1053 CE1 PHE A 75 -9.210 3.436 3.308 1.00 0.00 C ATOM 1054 CE2 PHE A 75 -8.099 1.363 2.876 1.00 0.00 C ATOM 1055 CZ PHE A 75 -8.653 2.541 2.415 1.00 0.00 C ATOM 0 H PHE A 75 -10.880 0.333 5.395 1.00 0.00 H new ATOM 0 HA PHE A 75 -9.878 0.770 8.136 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -8.390 2.562 7.158 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -7.889 0.919 6.813 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -9.646 3.853 5.354 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -7.669 0.159 4.584 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -9.645 4.358 2.950 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -7.663 0.662 2.180 1.00 0.00 H new ATOM 0 HZ PHE A 75 -8.651 2.762 1.358 1.00 0.00 H new ATOM 1065 N ARG A 76 -10.912 3.143 8.151 1.00 0.00 N ATOM 1066 CA ARG A 76 -11.823 4.273 8.290 1.00 0.00 C ATOM 1067 C ARG A 76 -11.315 5.483 7.513 1.00 0.00 C ATOM 1068 O ARG A 76 -10.256 6.030 7.821 1.00 0.00 O ATOM 1069 CB ARG A 76 -11.996 4.637 9.766 1.00 0.00 C ATOM 1070 CG ARG A 76 -12.939 3.710 10.514 1.00 0.00 C ATOM 1071 CD ARG A 76 -12.237 2.432 10.947 1.00 0.00 C ATOM 1072 NE ARG A 76 -13.184 1.363 11.250 1.00 0.00 N ATOM 1073 CZ ARG A 76 -12.854 0.075 11.306 1.00 0.00 C ATOM 1074 NH1 ARG A 76 -11.603 -0.308 11.080 1.00 0.00 N ATOM 1075 NH2 ARG A 76 -13.778 -0.835 11.588 1.00 0.00 N ATOM 0 H ARG A 76 -10.201 3.082 8.880 1.00 0.00 H new ATOM 0 HA ARG A 76 -12.789 3.980 7.879 1.00 0.00 H new ATOM 0 HB2 ARG A 76 -11.021 4.620 10.253 1.00 0.00 H new ATOM 0 HB3 ARG A 76 -12.370 5.658 9.838 1.00 0.00 H new ATOM 0 HG2 ARG A 76 -13.336 4.223 11.390 1.00 0.00 H new ATOM 0 HG3 ARG A 76 -13.788 3.462 9.877 1.00 0.00 H new ATOM 0 HD2 ARG A 76 -11.561 2.104 10.157 1.00 0.00 H new ATOM 0 HD3 ARG A 76 -11.625 2.634 11.826 1.00 0.00 H new ATOM 0 HE ARG A 76 -14.155 1.618 11.429 1.00 0.00 H new ATOM 0 HH11 ARG A 76 -10.888 0.387 10.862 1.00 0.00 H new ATOM 0 HH12 ARG A 76 -11.356 -1.297 11.124 1.00 0.00 H new ATOM 0 HH21 ARG A 76 -14.741 -0.547 11.762 1.00 0.00 H new ATOM 0 HH22 ARG A 76 -13.525 -1.822 11.631 1.00 0.00 H new ATOM 1089 N CYS A 77 -12.076 5.895 6.505 1.00 0.00 N ATOM 1090 CA CYS A 77 -11.702 7.039 5.683 1.00 0.00 C ATOM 1091 C CYS A 77 -12.882 7.512 4.840 1.00 0.00 C ATOM 1092 O CYS A 77 -13.857 6.784 4.656 1.00 0.00 O ATOM 1093 CB CYS A 77 -10.523 6.682 4.776 1.00 0.00 C ATOM 1094 SG CYS A 77 -9.529 8.103 4.263 1.00 0.00 S ATOM 0 H CYS A 77 -12.956 5.453 6.238 1.00 0.00 H new ATOM 0 HA CYS A 77 -11.405 7.849 6.349 1.00 0.00 H new ATOM 0 HB2 CYS A 77 -9.880 5.972 5.296 1.00 0.00 H new ATOM 0 HB3 CYS A 77 -10.902 6.177 3.887 1.00 0.00 H new ATOM 0 HG CYS A 77 -8.841 7.792 3.205 1.00 0.00 H new ATOM 1100 N ASN A 78 -12.786 8.737 4.331 1.00 0.00 N ATOM 1101 CA ASN A 78 -13.847 9.306 3.508 1.00 0.00 C ATOM 1102 C ASN A 78 -13.785 8.756 2.084 1.00 0.00 C ATOM 1103 O ASN A 78 -12.795 8.139 1.691 1.00 0.00 O ATOM 1104 CB ASN A 78 -13.738 10.833 3.485 1.00 0.00 C ATOM 1105 CG ASN A 78 -14.718 11.495 4.433 1.00 0.00 C ATOM 1106 OD1 ASN A 78 -15.220 10.866 5.364 1.00 0.00 O ATOM 1107 ND2 ASN A 78 -14.996 12.773 4.199 1.00 0.00 N ATOM 0 H ASN A 78 -11.986 9.353 4.474 1.00 0.00 H new ATOM 0 HA ASN A 78 -14.805 9.024 3.945 1.00 0.00 H new ATOM 0 HB2 ASN A 78 -12.723 11.126 3.752 1.00 0.00 H new ATOM 0 HB3 ASN A 78 -13.917 11.192 2.472 1.00 0.00 H new ATOM 0 HD21 ASN A 78 -15.649 13.272 4.803 1.00 0.00 H new ATOM 0 HD22 ASN A 78 -14.556 13.255 3.415 1.00 0.00 H new ATOM 1114 N PRO A 79 -14.847 8.976 1.290 1.00 0.00 N ATOM 1115 CA PRO A 79 -14.909 8.498 -0.095 1.00 0.00 C ATOM 1116 C PRO A 79 -13.948 9.251 -1.010 1.00 0.00 C ATOM 1117 O PRO A 79 -13.962 10.481 -1.064 1.00 0.00 O ATOM 1118 CB PRO A 79 -16.358 8.772 -0.502 1.00 0.00 C ATOM 1119 CG PRO A 79 -16.791 9.896 0.374 1.00 0.00 C ATOM 1120 CD PRO A 79 -16.069 9.704 1.679 1.00 0.00 C ATOM 0 HA PRO A 79 -14.620 7.450 -0.178 1.00 0.00 H new ATOM 0 HB2 PRO A 79 -16.429 9.041 -1.556 1.00 0.00 H new ATOM 0 HB3 PRO A 79 -16.984 7.892 -0.355 1.00 0.00 H new ATOM 0 HG2 PRO A 79 -16.541 10.858 -0.073 1.00 0.00 H new ATOM 0 HG3 PRO A 79 -17.871 9.884 0.520 1.00 0.00 H new ATOM 0 HD2 PRO A 79 -15.835 10.657 2.153 1.00 0.00 H new ATOM 0 HD3 PRO A 79 -16.668 9.134 2.389 1.00 0.00 H new ATOM 1128 N GLY A 80 -13.114 8.504 -1.725 1.00 0.00 N ATOM 1129 CA GLY A 80 -12.157 9.119 -2.626 1.00 0.00 C ATOM 1130 C GLY A 80 -10.771 9.224 -2.019 1.00 0.00 C ATOM 1131 O GLY A 80 -9.772 9.259 -2.738 1.00 0.00 O ATOM 0 H GLY A 80 -13.083 7.485 -1.697 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -12.104 8.537 -3.546 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -12.507 10.115 -2.898 1.00 0.00 H new ATOM 1135 N TYR A 81 -10.710 9.274 -0.692 1.00 0.00 N ATOM 1136 CA TYR A 81 -9.437 9.376 0.010 1.00 0.00 C ATOM 1137 C TYR A 81 -8.974 8.007 0.499 1.00 0.00 C ATOM 1138 O TYR A 81 -8.324 7.895 1.539 1.00 0.00 O ATOM 1139 CB TYR A 81 -9.559 10.337 1.194 1.00 0.00 C ATOM 1140 CG TYR A 81 -9.961 11.740 0.796 1.00 0.00 C ATOM 1141 CD1 TYR A 81 -9.008 12.674 0.413 1.00 0.00 C ATOM 1142 CD2 TYR A 81 -11.295 12.129 0.804 1.00 0.00 C ATOM 1143 CE1 TYR A 81 -9.370 13.956 0.048 1.00 0.00 C ATOM 1144 CE2 TYR A 81 -11.666 13.411 0.441 1.00 0.00 C ATOM 1145 CZ TYR A 81 -10.701 14.320 0.064 1.00 0.00 C ATOM 1146 OH TYR A 81 -11.066 15.596 -0.298 1.00 0.00 O ATOM 0 H TYR A 81 -11.527 9.246 -0.082 1.00 0.00 H new ATOM 0 HA TYR A 81 -8.696 9.763 -0.689 1.00 0.00 H new ATOM 0 HB2 TYR A 81 -10.293 9.943 1.897 1.00 0.00 H new ATOM 0 HB3 TYR A 81 -8.605 10.377 1.719 1.00 0.00 H new ATOM 0 HD1 TYR A 81 -7.965 12.393 0.400 1.00 0.00 H new ATOM 0 HD2 TYR A 81 -12.054 11.419 1.098 1.00 0.00 H new ATOM 0 HE1 TYR A 81 -8.615 14.670 -0.248 1.00 0.00 H new ATOM 0 HE2 TYR A 81 -12.707 13.698 0.453 1.00 0.00 H new ATOM 0 HH TYR A 81 -12.039 15.689 -0.233 1.00 0.00 H new ATOM 1156 N GLY A 82 -9.311 6.969 -0.258 1.00 0.00 N ATOM 1157 CA GLY A 82 -8.921 5.621 0.113 1.00 0.00 C ATOM 1158 C GLY A 82 -8.759 4.713 -1.090 1.00 0.00 C ATOM 1159 O GLY A 82 -9.540 4.784 -2.039 1.00 0.00 O ATOM 0 H GLY A 82 -9.848 7.037 -1.123 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -7.983 5.657 0.666 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -9.671 5.201 0.783 1.00 0.00 H new ATOM 1163 N LEU A 83 -7.742 3.859 -1.051 1.00 0.00 N ATOM 1164 CA LEU A 83 -7.480 2.933 -2.148 1.00 0.00 C ATOM 1165 C LEU A 83 -6.815 1.658 -1.638 1.00 0.00 C ATOM 1166 O LEU A 83 -6.273 1.629 -0.534 1.00 0.00 O ATOM 1167 CB LEU A 83 -6.594 3.598 -3.202 1.00 0.00 C ATOM 1168 CG LEU A 83 -6.546 2.883 -4.553 1.00 0.00 C ATOM 1169 CD1 LEU A 83 -7.946 2.732 -5.126 1.00 0.00 C ATOM 1170 CD2 LEU A 83 -5.650 3.638 -5.524 1.00 0.00 C ATOM 0 H LEU A 83 -7.086 3.788 -0.273 1.00 0.00 H new ATOM 0 HA LEU A 83 -8.435 2.666 -2.601 1.00 0.00 H new ATOM 0 HB2 LEU A 83 -6.946 4.617 -3.360 1.00 0.00 H new ATOM 0 HB3 LEU A 83 -5.580 3.669 -2.809 1.00 0.00 H new ATOM 0 HG LEU A 83 -6.128 1.888 -4.402 1.00 0.00 H new ATOM 0 HD11 LEU A 83 -7.893 2.221 -6.087 1.00 0.00 H new ATOM 0 HD12 LEU A 83 -8.559 2.149 -4.439 1.00 0.00 H new ATOM 0 HD13 LEU A 83 -8.391 3.717 -5.263 1.00 0.00 H new ATOM 0 HD21 LEU A 83 -5.628 3.115 -6.480 1.00 0.00 H new ATOM 0 HD22 LEU A 83 -6.040 4.645 -5.670 1.00 0.00 H new ATOM 0 HD23 LEU A 83 -4.640 3.695 -5.118 1.00 0.00 H new ATOM 1182 N LEU A 84 -6.860 0.609 -2.451 1.00 0.00 N ATOM 1183 CA LEU A 84 -6.261 -0.669 -2.084 1.00 0.00 C ATOM 1184 C LEU A 84 -5.505 -1.273 -3.263 1.00 0.00 C ATOM 1185 O LEU A 84 -6.098 -1.606 -4.289 1.00 0.00 O ATOM 1186 CB LEU A 84 -7.340 -1.642 -1.601 1.00 0.00 C ATOM 1187 CG LEU A 84 -7.520 -1.706 -0.083 1.00 0.00 C ATOM 1188 CD1 LEU A 84 -8.972 -1.982 0.271 1.00 0.00 C ATOM 1189 CD2 LEU A 84 -6.612 -2.769 0.516 1.00 0.00 C ATOM 0 H LEU A 84 -7.305 0.618 -3.369 1.00 0.00 H new ATOM 0 HA LEU A 84 -5.553 -0.492 -1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -8.291 -1.360 -2.053 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -7.097 -2.640 -1.965 1.00 0.00 H new ATOM 0 HG LEU A 84 -7.243 -0.740 0.338 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -9.081 -2.024 1.355 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -9.601 -1.185 -0.126 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -9.277 -2.935 -0.161 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -6.753 -2.801 1.596 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -6.859 -3.741 0.089 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -5.573 -2.528 0.293 1.00 0.00 H new ATOM 1201 N VAL A 85 -4.192 -1.411 -3.109 1.00 0.00 N ATOM 1202 CA VAL A 85 -3.354 -1.974 -4.162 1.00 0.00 C ATOM 1203 C VAL A 85 -2.495 -3.115 -3.629 1.00 0.00 C ATOM 1204 O VAL A 85 -2.528 -3.428 -2.440 1.00 0.00 O ATOM 1205 CB VAL A 85 -2.437 -0.903 -4.783 1.00 0.00 C ATOM 1206 CG1 VAL A 85 -3.234 0.027 -5.684 1.00 0.00 C ATOM 1207 CG2 VAL A 85 -1.719 -0.119 -3.695 1.00 0.00 C ATOM 0 H VAL A 85 -3.686 -1.141 -2.266 1.00 0.00 H new ATOM 0 HA VAL A 85 -4.026 -2.356 -4.931 1.00 0.00 H new ATOM 0 HB VAL A 85 -1.686 -1.404 -5.393 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -2.569 0.776 -6.113 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -3.696 -0.550 -6.485 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -4.010 0.522 -5.100 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -1.076 0.633 -4.152 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -2.453 0.372 -3.056 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -1.113 -0.799 -3.096 1.00 0.00 H new ATOM 1217 N ARG A 86 -1.726 -3.734 -4.520 1.00 0.00 N ATOM 1218 CA ARG A 86 -0.857 -4.842 -4.141 1.00 0.00 C ATOM 1219 C ARG A 86 0.530 -4.337 -3.751 1.00 0.00 C ATOM 1220 O ARG A 86 0.963 -3.278 -4.205 1.00 0.00 O ATOM 1221 CB ARG A 86 -0.742 -5.843 -5.292 1.00 0.00 C ATOM 1222 CG ARG A 86 -2.079 -6.217 -5.910 1.00 0.00 C ATOM 1223 CD ARG A 86 -2.909 -7.076 -4.970 1.00 0.00 C ATOM 1224 NE ARG A 86 -2.672 -8.503 -5.180 1.00 0.00 N ATOM 1225 CZ ARG A 86 -1.755 -9.213 -4.524 1.00 0.00 C ATOM 1226 NH1 ARG A 86 -0.985 -8.639 -3.608 1.00 0.00 N ATOM 1227 NH2 ARG A 86 -1.610 -10.505 -4.785 1.00 0.00 N ATOM 0 H ARG A 86 -1.687 -3.487 -5.509 1.00 0.00 H new ATOM 0 HA ARG A 86 -1.299 -5.339 -3.278 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -0.099 -5.422 -6.065 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -0.254 -6.747 -4.928 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -2.631 -5.311 -6.159 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -1.911 -6.755 -6.843 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -2.672 -6.817 -3.938 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -3.967 -6.858 -5.119 1.00 0.00 H new ATOM 0 HE ARG A 86 -3.245 -8.986 -5.872 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -1.092 -7.646 -3.401 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -0.286 -9.191 -3.111 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -2.200 -10.953 -5.486 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -0.909 -11.051 -4.284 1.00 0.00 H new ATOM 1241 N PRO A 87 1.247 -5.093 -2.902 1.00 0.00 N ATOM 1242 CA PRO A 87 2.593 -4.716 -2.455 1.00 0.00 C ATOM 1243 C PRO A 87 3.521 -4.404 -3.622 1.00 0.00 C ATOM 1244 O PRO A 87 4.432 -3.583 -3.505 1.00 0.00 O ATOM 1245 CB PRO A 87 3.079 -5.955 -1.701 1.00 0.00 C ATOM 1246 CG PRO A 87 1.834 -6.638 -1.251 1.00 0.00 C ATOM 1247 CD PRO A 87 0.807 -6.372 -2.315 1.00 0.00 C ATOM 0 HA PRO A 87 2.583 -3.811 -1.848 1.00 0.00 H new ATOM 0 HB2 PRO A 87 3.675 -6.602 -2.345 1.00 0.00 H new ATOM 0 HB3 PRO A 87 3.708 -5.681 -0.854 1.00 0.00 H new ATOM 0 HG2 PRO A 87 1.999 -7.708 -1.127 1.00 0.00 H new ATOM 0 HG3 PRO A 87 1.505 -6.253 -0.286 1.00 0.00 H new ATOM 0 HD2 PRO A 87 0.783 -7.168 -3.059 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -0.196 -6.298 -1.896 1.00 0.00 H new ATOM 1255 N SER A 88 3.285 -5.065 -4.750 1.00 0.00 N ATOM 1256 CA SER A 88 4.097 -4.861 -5.943 1.00 0.00 C ATOM 1257 C SER A 88 4.023 -3.412 -6.412 1.00 0.00 C ATOM 1258 O SER A 88 4.960 -2.898 -7.023 1.00 0.00 O ATOM 1259 CB SER A 88 3.638 -5.796 -7.064 1.00 0.00 C ATOM 1260 OG SER A 88 3.510 -7.127 -6.596 1.00 0.00 O ATOM 0 H SER A 88 2.536 -5.748 -4.863 1.00 0.00 H new ATOM 0 HA SER A 88 5.132 -5.089 -5.690 1.00 0.00 H new ATOM 0 HB2 SER A 88 2.682 -5.453 -7.460 1.00 0.00 H new ATOM 0 HB3 SER A 88 4.354 -5.763 -7.885 1.00 0.00 H new ATOM 0 HG SER A 88 3.214 -7.705 -7.330 1.00 0.00 H new ATOM 1266 N ARG A 89 2.903 -2.756 -6.123 1.00 0.00 N ATOM 1267 CA ARG A 89 2.708 -1.365 -6.517 1.00 0.00 C ATOM 1268 C ARG A 89 3.033 -0.419 -5.364 1.00 0.00 C ATOM 1269 O ARG A 89 2.452 0.660 -5.252 1.00 0.00 O ATOM 1270 CB ARG A 89 1.268 -1.142 -6.983 1.00 0.00 C ATOM 1271 CG ARG A 89 1.013 -1.602 -8.410 1.00 0.00 C ATOM 1272 CD ARG A 89 1.123 -0.449 -9.394 1.00 0.00 C ATOM 1273 NE ARG A 89 0.343 -0.687 -10.606 1.00 0.00 N ATOM 1274 CZ ARG A 89 -0.023 0.273 -11.453 1.00 0.00 C ATOM 1275 NH1 ARG A 89 0.318 1.535 -11.225 1.00 0.00 N ATOM 1276 NH2 ARG A 89 -0.733 -0.031 -12.531 1.00 0.00 N ATOM 0 H ARG A 89 2.117 -3.165 -5.618 1.00 0.00 H new ATOM 0 HA ARG A 89 3.388 -1.150 -7.341 1.00 0.00 H new ATOM 0 HB2 ARG A 89 0.592 -1.672 -6.313 1.00 0.00 H new ATOM 0 HB3 ARG A 89 1.029 -0.081 -6.904 1.00 0.00 H new ATOM 0 HG2 ARG A 89 1.729 -2.379 -8.677 1.00 0.00 H new ATOM 0 HG3 ARG A 89 0.020 -2.047 -8.478 1.00 0.00 H new ATOM 0 HD2 ARG A 89 0.780 0.469 -8.917 1.00 0.00 H new ATOM 0 HD3 ARG A 89 2.169 -0.298 -9.660 1.00 0.00 H new ATOM 0 HE ARG A 89 0.062 -1.645 -10.816 1.00 0.00 H new ATOM 0 HH11 ARG A 89 0.864 1.774 -10.397 1.00 0.00 H new ATOM 0 HH12 ARG A 89 0.035 2.266 -11.878 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -0.998 -0.999 -12.711 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -1.014 0.704 -13.181 1.00 0.00 H new ATOM 1290 N VAL A 90 3.964 -0.832 -4.510 1.00 0.00 N ATOM 1291 CA VAL A 90 4.365 -0.020 -3.367 1.00 0.00 C ATOM 1292 C VAL A 90 5.882 0.034 -3.238 1.00 0.00 C ATOM 1293 O VAL A 90 6.568 -0.972 -3.421 1.00 0.00 O ATOM 1294 CB VAL A 90 3.769 -0.563 -2.055 1.00 0.00 C ATOM 1295 CG1 VAL A 90 4.024 0.406 -0.911 1.00 0.00 C ATOM 1296 CG2 VAL A 90 2.280 -0.831 -2.214 1.00 0.00 C ATOM 0 H VAL A 90 4.454 -1.723 -4.588 1.00 0.00 H new ATOM 0 HA VAL A 90 3.981 0.985 -3.543 1.00 0.00 H new ATOM 0 HB VAL A 90 4.261 -1.506 -1.818 1.00 0.00 H new ATOM 0 HG11 VAL A 90 3.596 0.005 0.008 1.00 0.00 H new ATOM 0 HG12 VAL A 90 5.098 0.542 -0.782 1.00 0.00 H new ATOM 0 HG13 VAL A 90 3.562 1.367 -1.138 1.00 0.00 H new ATOM 0 HG21 VAL A 90 1.877 -1.214 -1.276 1.00 0.00 H new ATOM 0 HG22 VAL A 90 1.770 0.096 -2.477 1.00 0.00 H new ATOM 0 HG23 VAL A 90 2.125 -1.567 -3.003 1.00 0.00 H new ATOM 1306 N ARG A 91 6.403 1.216 -2.922 1.00 0.00 N ATOM 1307 CA ARG A 91 7.841 1.401 -2.768 1.00 0.00 C ATOM 1308 C ARG A 91 8.149 2.335 -1.603 1.00 0.00 C ATOM 1309 O ARG A 91 7.375 3.244 -1.303 1.00 0.00 O ATOM 1310 CB ARG A 91 8.445 1.958 -4.059 1.00 0.00 C ATOM 1311 CG ARG A 91 8.610 0.915 -5.153 1.00 0.00 C ATOM 1312 CD ARG A 91 10.009 0.943 -5.751 1.00 0.00 C ATOM 1313 NE ARG A 91 10.556 -0.401 -5.925 1.00 0.00 N ATOM 1314 CZ ARG A 91 11.028 -1.144 -4.926 1.00 0.00 C ATOM 1315 NH1 ARG A 91 11.023 -0.679 -3.683 1.00 0.00 N ATOM 1316 NH2 ARG A 91 11.506 -2.357 -5.172 1.00 0.00 N ATOM 0 H ARG A 91 5.850 2.059 -2.768 1.00 0.00 H new ATOM 0 HA ARG A 91 8.287 0.429 -2.556 1.00 0.00 H new ATOM 0 HB2 ARG A 91 7.811 2.763 -4.429 1.00 0.00 H new ATOM 0 HB3 ARG A 91 9.418 2.396 -3.836 1.00 0.00 H new ATOM 0 HG2 ARG A 91 8.408 -0.075 -4.745 1.00 0.00 H new ATOM 0 HG3 ARG A 91 7.875 1.092 -5.938 1.00 0.00 H new ATOM 0 HD2 ARG A 91 9.981 1.451 -6.715 1.00 0.00 H new ATOM 0 HD3 ARG A 91 10.668 1.522 -5.104 1.00 0.00 H new ATOM 0 HE ARG A 91 10.577 -0.793 -6.867 1.00 0.00 H new ATOM 0 HH11 ARG A 91 10.656 0.253 -3.488 1.00 0.00 H new ATOM 0 HH12 ARG A 91 11.386 -1.253 -2.922 1.00 0.00 H new ATOM 0 HH21 ARG A 91 11.512 -2.719 -6.125 1.00 0.00 H new ATOM 0 HH22 ARG A 91 11.868 -2.927 -4.408 1.00 0.00 H new ATOM 1330 N ARG A 92 9.284 2.106 -0.953 1.00 0.00 N ATOM 1331 CA ARG A 92 9.696 2.928 0.180 1.00 0.00 C ATOM 1332 C ARG A 92 9.913 4.376 -0.248 1.00 0.00 C ATOM 1333 O ARG A 92 10.517 4.642 -1.287 1.00 0.00 O ATOM 1334 CB ARG A 92 10.976 2.367 0.804 1.00 0.00 C ATOM 1335 CG ARG A 92 10.783 1.836 2.216 1.00 0.00 C ATOM 1336 CD ARG A 92 12.098 1.783 2.975 1.00 0.00 C ATOM 1337 NE ARG A 92 12.310 2.979 3.787 1.00 0.00 N ATOM 1338 CZ ARG A 92 11.733 3.184 4.969 1.00 0.00 C ATOM 1339 NH1 ARG A 92 10.908 2.278 5.479 1.00 0.00 N ATOM 1340 NH2 ARG A 92 11.982 4.299 5.643 1.00 0.00 N ATOM 0 H ARG A 92 9.936 1.358 -1.191 1.00 0.00 H new ATOM 0 HA ARG A 92 8.899 2.906 0.923 1.00 0.00 H new ATOM 0 HB2 ARG A 92 11.357 1.565 0.172 1.00 0.00 H new ATOM 0 HB3 ARG A 92 11.736 3.149 0.819 1.00 0.00 H new ATOM 0 HG2 ARG A 92 10.078 2.471 2.752 1.00 0.00 H new ATOM 0 HG3 ARG A 92 10.345 0.839 2.174 1.00 0.00 H new ATOM 0 HD2 ARG A 92 12.111 0.902 3.617 1.00 0.00 H new ATOM 0 HD3 ARG A 92 12.920 1.674 2.268 1.00 0.00 H new ATOM 0 HE ARG A 92 12.937 3.699 3.427 1.00 0.00 H new ATOM 0 HH11 ARG A 92 10.713 1.419 4.965 1.00 0.00 H new ATOM 0 HH12 ARG A 92 10.469 2.441 6.385 1.00 0.00 H new ATOM 0 HH21 ARG A 92 12.615 4.999 5.256 1.00 0.00 H new ATOM 0 HH22 ARG A 92 11.540 4.457 6.549 1.00 0.00 H new ATOM 1354 N ALA A 93 9.416 5.307 0.558 1.00 0.00 N ATOM 1355 CA ALA A 93 9.555 6.728 0.265 1.00 0.00 C ATOM 1356 C ALA A 93 10.638 7.365 1.130 1.00 0.00 C ATOM 1357 O ALA A 93 11.676 7.792 0.627 1.00 0.00 O ATOM 1358 CB ALA A 93 8.227 7.442 0.468 1.00 0.00 C ATOM 0 H ALA A 93 8.912 5.103 1.421 1.00 0.00 H new ATOM 0 HA ALA A 93 9.854 6.830 -0.778 1.00 0.00 H new ATOM 0 HB1 ALA A 93 8.346 8.502 0.245 1.00 0.00 H new ATOM 0 HB2 ALA A 93 7.478 7.013 -0.198 1.00 0.00 H new ATOM 0 HB3 ALA A 93 7.904 7.322 1.502 1.00 0.00 H new