USER MOD reduce.3.24.130724 H: found=0, std=0, add=537, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 538 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 SER OG : rot 178:sc= 0 USER MOD Set 1.2: A 60 GLN : amide:sc= -0.0477 K(o=-0.048,f=-4.4!) USER MOD Set 2.1: A 28 TYR OH : rot 180:sc= 0.388 USER MOD Set 2.2: A 32 LYS NZ :NH3+ -153:sc= 0.692 (180deg=-0.636) USER MOD Single : A 15 LYS NZ :NH3+ 149:sc= -0.141 (180deg=-0.402) USER MOD Single : A 20 SER OG : rot -160:sc= 0.00603 USER MOD Single : A 21 GLN : amide:sc= -0.388 K(o=-0.39,f=-2.2) USER MOD Single : A 22 GLN : amide:sc= 0 K(o=0,f=-2.1!) USER MOD Single : A 26 GLN : amide:sc= 0.806 K(o=0.81,f=-2.1!) USER MOD Single : A 31 GLN : amide:sc= -2.35 K(o=-2.4,f=-0.24) USER MOD Single : A 33 ASN : amide:sc= -0.332 X(o=-0.33,f=0) USER MOD Single : A 35 SER OG : rot 59:sc= 0.288 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 THR OG1 : rot 90:sc= 0.356 USER MOD Single : A 46 CYS SG : rot -92:sc= -1.4! USER MOD Single : A 47 ASN : amide:sc= 0.51 K(o=0.51,f=-0.93) USER MOD Single : A 51 CYS SG : rot 81:sc= 0.0384 USER MOD Single : A 53 GLN : amide:sc= -0.108 K(o=-0.11,f=-0.73) USER MOD Single : A 59 SER OG : rot 180:sc= 0.0894 USER MOD Single : A 62 GLN : amide:sc= 0.329 X(o=0.33,f=-0.0042) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 67 ASN : amide:sc= -0.0579 K(o=-0.058,f=-1.3) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0.00633 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= 0.368 K(o=0.37,f=-2!) USER MOD Single : A 80 ASN : amide:sc= 0.734 K(o=0.73,f=-0.043) USER MOD ----------------------------------------------------------------- ATOM 270 N LYS A 15 -5.047 -1.886 6.640 1.00 0.00 N ATOM 271 CA LYS A 15 -3.694 -2.373 6.772 1.00 0.00 C ATOM 272 C LYS A 15 -3.793 -3.895 6.861 1.00 0.00 C ATOM 273 O LYS A 15 -4.862 -4.407 7.189 1.00 0.00 O ATOM 274 CB LYS A 15 -3.037 -1.740 7.996 1.00 0.00 C ATOM 275 CG LYS A 15 -3.930 -1.728 9.252 1.00 0.00 C ATOM 276 CD LYS A 15 -3.405 -0.734 10.303 1.00 0.00 C ATOM 277 CE LYS A 15 -3.234 0.715 9.798 1.00 0.00 C ATOM 278 NZ LYS A 15 -4.294 1.136 8.854 1.00 0.00 N ATOM 0 HA LYS A 15 -3.064 -2.104 5.924 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -2.117 -2.280 8.222 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -2.754 -0.716 7.754 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -4.949 -1.461 8.973 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.969 -2.729 9.682 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -4.089 -0.729 11.151 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -2.443 -1.091 10.671 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -3.229 1.392 10.652 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -2.264 0.810 9.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -4.460 2.158 8.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -3.996 0.925 7.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -5.172 0.621 9.066 1.00 0.00 H new ATOM 292 N TRP A 16 -2.711 -4.588 6.521 1.00 0.00 N ATOM 293 CA TRP A 16 -2.666 -6.040 6.508 1.00 0.00 C ATOM 294 C TRP A 16 -2.924 -6.608 7.910 1.00 0.00 C ATOM 295 O TRP A 16 -2.666 -5.927 8.904 1.00 0.00 O ATOM 296 CB TRP A 16 -1.311 -6.469 5.939 1.00 0.00 C ATOM 297 CG TRP A 16 -1.142 -6.216 4.471 1.00 0.00 C ATOM 298 CD1 TRP A 16 -0.670 -5.097 3.875 1.00 0.00 C ATOM 299 CD2 TRP A 16 -1.461 -7.135 3.393 1.00 0.00 C ATOM 300 NE1 TRP A 16 -0.696 -5.261 2.502 1.00 0.00 N ATOM 301 CE2 TRP A 16 -1.182 -6.501 2.150 1.00 0.00 C ATOM 302 CE3 TRP A 16 -1.936 -8.457 3.349 1.00 0.00 C ATOM 303 CZ2 TRP A 16 -1.384 -7.141 0.923 1.00 0.00 C ATOM 304 CZ3 TRP A 16 -2.129 -9.122 2.129 1.00 0.00 C ATOM 305 CH2 TRP A 16 -1.851 -8.464 0.923 1.00 0.00 C ATOM 0 H TRP A 16 -1.833 -4.149 6.244 1.00 0.00 H new ATOM 0 HA TRP A 16 -3.456 -6.442 5.874 1.00 0.00 H new ATOM 0 HB2 TRP A 16 -0.523 -5.944 6.478 1.00 0.00 H new ATOM 0 HB3 TRP A 16 -1.172 -7.533 6.129 1.00 0.00 H new ATOM 0 HD1 TRP A 16 -0.326 -4.213 4.391 1.00 0.00 H new ATOM 0 HE1 TRP A 16 -0.393 -4.552 1.834 1.00 0.00 H new ATOM 0 HE3 TRP A 16 -2.157 -8.971 4.273 1.00 0.00 H new ATOM 0 HZ2 TRP A 16 -1.185 -6.627 -0.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 16 -2.491 -10.139 2.119 1.00 0.00 H new ATOM 0 HH2 TRP A 16 -1.998 -8.980 -0.014 1.00 0.00 H new ATOM 316 N GLY A 17 -3.466 -7.826 7.976 1.00 0.00 N ATOM 317 CA GLY A 17 -3.826 -8.512 9.208 1.00 0.00 C ATOM 318 C GLY A 17 -2.964 -9.759 9.416 1.00 0.00 C ATOM 319 O GLY A 17 -2.255 -10.193 8.507 1.00 0.00 O ATOM 0 H GLY A 17 -3.671 -8.376 7.142 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -3.703 -7.836 10.054 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.878 -8.795 9.176 1.00 0.00 H new ATOM 323 N PRO A 18 -3.023 -10.372 10.607 1.00 0.00 N ATOM 324 CA PRO A 18 -2.121 -11.445 11.001 1.00 0.00 C ATOM 325 C PRO A 18 -2.174 -12.649 10.064 1.00 0.00 C ATOM 326 O PRO A 18 -1.146 -13.182 9.658 1.00 0.00 O ATOM 327 CB PRO A 18 -2.500 -11.802 12.443 1.00 0.00 C ATOM 328 CG PRO A 18 -3.930 -11.278 12.597 1.00 0.00 C ATOM 329 CD PRO A 18 -3.948 -10.055 11.681 1.00 0.00 C ATOM 0 HA PRO A 18 -1.083 -11.117 10.936 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -2.450 -12.877 12.613 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -1.825 -11.334 13.160 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -4.667 -12.021 12.293 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.153 -11.012 13.630 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.950 -9.866 11.295 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.638 -9.157 12.216 1.00 0.00 H new ATOM 337 N ALA A 19 -3.386 -13.047 9.696 1.00 0.00 N ATOM 338 CA ALA A 19 -3.632 -14.235 8.883 1.00 0.00 C ATOM 339 C ALA A 19 -3.460 -13.888 7.409 1.00 0.00 C ATOM 340 O ALA A 19 -3.491 -14.749 6.542 1.00 0.00 O ATOM 341 CB ALA A 19 -5.045 -14.760 9.160 1.00 0.00 C ATOM 0 H ALA A 19 -4.237 -12.549 9.956 1.00 0.00 H new ATOM 0 HA ALA A 19 -2.916 -15.016 9.140 1.00 0.00 H new ATOM 0 HB1 ALA A 19 -5.229 -15.647 8.553 1.00 0.00 H new ATOM 0 HB2 ALA A 19 -5.137 -15.017 10.215 1.00 0.00 H new ATOM 0 HB3 ALA A 19 -5.775 -13.990 8.909 1.00 0.00 H new ATOM 347 N SER A 20 -3.289 -12.603 7.122 1.00 0.00 N ATOM 348 CA SER A 20 -2.996 -12.097 5.812 1.00 0.00 C ATOM 349 C SER A 20 -1.479 -12.186 5.585 1.00 0.00 C ATOM 350 O SER A 20 -1.028 -12.524 4.493 1.00 0.00 O ATOM 351 CB SER A 20 -3.514 -10.658 5.790 1.00 0.00 C ATOM 352 OG SER A 20 -4.659 -10.483 6.614 1.00 0.00 O ATOM 0 H SER A 20 -3.355 -11.870 7.828 1.00 0.00 H new ATOM 0 HA SER A 20 -3.470 -12.663 5.010 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.724 -9.985 6.123 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.760 -10.379 4.766 1.00 0.00 H new ATOM 0 HG SER A 20 -5.139 -9.674 6.340 1.00 0.00 H new ATOM 358 N GLN A 21 -0.682 -11.881 6.622 1.00 0.00 N ATOM 359 CA GLN A 21 0.775 -11.878 6.515 1.00 0.00 C ATOM 360 C GLN A 21 1.301 -13.197 5.960 1.00 0.00 C ATOM 361 O GLN A 21 2.178 -13.182 5.103 1.00 0.00 O ATOM 362 CB GLN A 21 1.478 -11.626 7.860 1.00 0.00 C ATOM 363 CG GLN A 21 1.042 -10.389 8.650 1.00 0.00 C ATOM 364 CD GLN A 21 0.990 -9.095 7.847 1.00 0.00 C ATOM 365 OE1 GLN A 21 0.127 -8.254 8.067 1.00 0.00 O ATOM 366 NE2 GLN A 21 1.919 -8.897 6.919 1.00 0.00 N ATOM 0 H GLN A 21 -1.031 -11.633 7.548 1.00 0.00 H new ATOM 0 HA GLN A 21 1.003 -11.058 5.834 1.00 0.00 H new ATOM 0 HB2 GLN A 21 1.327 -12.502 8.491 1.00 0.00 H new ATOM 0 HB3 GLN A 21 2.549 -11.549 7.673 1.00 0.00 H new ATOM 0 HG2 GLN A 21 0.055 -10.576 9.073 1.00 0.00 H new ATOM 0 HG3 GLN A 21 1.726 -10.252 9.487 1.00 0.00 H new ATOM 0 HE21 GLN A 21 2.630 -9.608 6.749 1.00 0.00 H new ATOM 0 HE22 GLN A 21 1.922 -8.034 6.376 1.00 0.00 H new ATOM 375 N GLN A 22 0.796 -14.324 6.467 1.00 0.00 N ATOM 376 CA GLN A 22 1.303 -15.640 6.102 1.00 0.00 C ATOM 377 C GLN A 22 1.346 -15.775 4.577 1.00 0.00 C ATOM 378 O GLN A 22 2.345 -16.213 4.008 1.00 0.00 O ATOM 379 CB GLN A 22 0.495 -16.735 6.817 1.00 0.00 C ATOM 380 CG GLN A 22 -0.951 -16.857 6.338 1.00 0.00 C ATOM 381 CD GLN A 22 -1.748 -17.802 7.228 1.00 0.00 C ATOM 382 OE1 GLN A 22 -2.412 -17.376 8.166 1.00 0.00 O ATOM 383 NE2 GLN A 22 -1.668 -19.100 6.963 1.00 0.00 N ATOM 0 H GLN A 22 0.028 -14.346 7.138 1.00 0.00 H new ATOM 0 HA GLN A 22 2.331 -15.765 6.442 1.00 0.00 H new ATOM 0 HB2 GLN A 22 0.996 -17.693 6.674 1.00 0.00 H new ATOM 0 HB3 GLN A 22 0.496 -16.531 7.888 1.00 0.00 H new ATOM 0 HG2 GLN A 22 -1.420 -15.873 6.335 1.00 0.00 H new ATOM 0 HG3 GLN A 22 -0.967 -17.221 5.311 1.00 0.00 H new ATOM 0 HE21 GLN A 22 -1.108 -19.426 6.176 1.00 0.00 H new ATOM 0 HE22 GLN A 22 -2.167 -19.771 7.547 1.00 0.00 H new ATOM 392 N ILE A 23 0.288 -15.316 3.909 1.00 0.00 N ATOM 393 CA ILE A 23 0.214 -15.402 2.467 1.00 0.00 C ATOM 394 C ILE A 23 1.146 -14.400 1.795 1.00 0.00 C ATOM 395 O ILE A 23 1.612 -14.682 0.697 1.00 0.00 O ATOM 396 CB ILE A 23 -1.238 -15.322 1.975 1.00 0.00 C ATOM 397 CG1 ILE A 23 -2.017 -16.541 2.498 1.00 0.00 C ATOM 398 CG2 ILE A 23 -1.333 -15.332 0.445 1.00 0.00 C ATOM 399 CD1 ILE A 23 -3.046 -16.142 3.537 1.00 0.00 C ATOM 0 H ILE A 23 -0.523 -14.883 4.350 1.00 0.00 H new ATOM 0 HA ILE A 23 0.576 -16.385 2.166 1.00 0.00 H new ATOM 0 HB ILE A 23 -1.653 -14.385 2.347 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -2.514 -17.040 1.666 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -1.321 -17.260 2.931 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -2.379 -15.274 0.145 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -0.792 -14.476 0.041 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -0.896 -16.253 0.059 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -3.576 -17.029 3.883 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -2.546 -15.666 4.380 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -3.757 -15.443 3.096 1.00 0.00 H new ATOM 411 N LEU A 24 1.448 -13.250 2.403 1.00 0.00 N ATOM 412 CA LEU A 24 2.442 -12.367 1.803 1.00 0.00 C ATOM 413 C LEU A 24 3.742 -13.139 1.586 1.00 0.00 C ATOM 414 O LEU A 24 4.268 -13.134 0.476 1.00 0.00 O ATOM 415 CB LEU A 24 2.680 -11.082 2.616 1.00 0.00 C ATOM 416 CG LEU A 24 1.541 -10.055 2.500 1.00 0.00 C ATOM 417 CD1 LEU A 24 1.977 -8.726 3.123 1.00 0.00 C ATOM 418 CD2 LEU A 24 1.219 -9.772 1.035 1.00 0.00 C ATOM 0 H LEU A 24 1.036 -12.920 3.276 1.00 0.00 H new ATOM 0 HA LEU A 24 2.051 -12.034 0.841 1.00 0.00 H new ATOM 0 HB2 LEU A 24 2.813 -11.346 3.665 1.00 0.00 H new ATOM 0 HB3 LEU A 24 3.609 -10.619 2.283 1.00 0.00 H new ATOM 0 HG LEU A 24 0.671 -10.467 3.010 1.00 0.00 H new ATOM 0 HD11 LEU A 24 1.167 -8.001 3.039 1.00 0.00 H new ATOM 0 HD12 LEU A 24 2.219 -8.879 4.175 1.00 0.00 H new ATOM 0 HD13 LEU A 24 2.856 -8.350 2.600 1.00 0.00 H new ATOM 0 HD21 LEU A 24 0.411 -9.043 0.974 1.00 0.00 H new ATOM 0 HD22 LEU A 24 2.104 -9.375 0.538 1.00 0.00 H new ATOM 0 HD23 LEU A 24 0.912 -10.696 0.545 1.00 0.00 H new ATOM 430 N PHE A 25 4.221 -13.831 2.619 1.00 0.00 N ATOM 431 CA PHE A 25 5.368 -14.715 2.473 1.00 0.00 C ATOM 432 C PHE A 25 5.070 -15.770 1.406 1.00 0.00 C ATOM 433 O PHE A 25 5.709 -15.775 0.360 1.00 0.00 O ATOM 434 CB PHE A 25 5.754 -15.336 3.819 1.00 0.00 C ATOM 435 CG PHE A 25 6.012 -14.307 4.907 1.00 0.00 C ATOM 436 CD1 PHE A 25 7.196 -13.547 4.894 1.00 0.00 C ATOM 437 CD2 PHE A 25 5.061 -14.093 5.918 1.00 0.00 C ATOM 438 CE1 PHE A 25 7.432 -12.593 5.899 1.00 0.00 C ATOM 439 CE2 PHE A 25 5.294 -13.140 6.924 1.00 0.00 C ATOM 440 CZ PHE A 25 6.482 -12.389 6.916 1.00 0.00 C ATOM 0 H PHE A 25 3.832 -13.794 3.561 1.00 0.00 H new ATOM 0 HA PHE A 25 6.231 -14.139 2.140 1.00 0.00 H new ATOM 0 HB2 PHE A 25 4.957 -16.005 4.144 1.00 0.00 H new ATOM 0 HB3 PHE A 25 6.648 -15.946 3.686 1.00 0.00 H new ATOM 0 HD1 PHE A 25 7.924 -13.697 4.111 1.00 0.00 H new ATOM 0 HD2 PHE A 25 4.145 -14.665 5.922 1.00 0.00 H new ATOM 0 HE1 PHE A 25 8.345 -12.015 5.890 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.561 -12.985 7.702 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.665 -11.657 7.689 1.00 0.00 H new ATOM 450 N GLN A 26 4.026 -16.584 1.611 1.00 0.00 N ATOM 451 CA GLN A 26 3.824 -17.768 0.776 1.00 0.00 C ATOM 452 C GLN A 26 3.680 -17.360 -0.699 1.00 0.00 C ATOM 453 O GLN A 26 3.935 -18.134 -1.616 1.00 0.00 O ATOM 454 CB GLN A 26 2.640 -18.613 1.301 1.00 0.00 C ATOM 455 CG GLN A 26 1.275 -18.411 0.628 1.00 0.00 C ATOM 456 CD GLN A 26 0.132 -19.024 1.444 1.00 0.00 C ATOM 457 OE1 GLN A 26 0.254 -19.239 2.645 1.00 0.00 O ATOM 458 NE2 GLN A 26 -1.002 -19.321 0.824 1.00 0.00 N ATOM 0 H GLN A 26 3.321 -16.446 2.335 1.00 0.00 H new ATOM 0 HA GLN A 26 4.702 -18.411 0.836 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.909 -19.665 1.207 1.00 0.00 H new ATOM 0 HB3 GLN A 26 2.525 -18.407 2.365 1.00 0.00 H new ATOM 0 HG2 GLN A 26 1.092 -17.345 0.493 1.00 0.00 H new ATOM 0 HG3 GLN A 26 1.291 -18.859 -0.365 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -1.099 -19.141 -0.175 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -1.777 -19.730 1.346 1.00 0.00 H new ATOM 467 N ALA A 27 3.193 -16.149 -0.968 1.00 0.00 N ATOM 468 CA ALA A 27 3.148 -15.566 -2.292 1.00 0.00 C ATOM 469 C ALA A 27 4.541 -15.148 -2.751 1.00 0.00 C ATOM 470 O ALA A 27 4.919 -15.546 -3.845 1.00 0.00 O ATOM 471 CB ALA A 27 2.162 -14.403 -2.299 1.00 0.00 C ATOM 0 H ALA A 27 2.811 -15.537 -0.247 1.00 0.00 H new ATOM 0 HA ALA A 27 2.798 -16.310 -3.007 1.00 0.00 H new ATOM 0 HB1 ALA A 27 2.126 -13.962 -3.295 1.00 0.00 H new ATOM 0 HB2 ALA A 27 1.171 -14.765 -2.027 1.00 0.00 H new ATOM 0 HB3 ALA A 27 2.483 -13.649 -1.580 1.00 0.00 H new ATOM 477 N TYR A 28 5.272 -14.367 -1.947 1.00 0.00 N ATOM 478 CA TYR A 28 6.644 -13.940 -2.221 1.00 0.00 C ATOM 479 C TYR A 28 7.518 -15.102 -2.665 1.00 0.00 C ATOM 480 O TYR A 28 8.313 -14.959 -3.594 1.00 0.00 O ATOM 481 CB TYR A 28 7.256 -13.262 -0.983 1.00 0.00 C ATOM 482 CG TYR A 28 8.465 -12.398 -1.279 1.00 0.00 C ATOM 483 CD1 TYR A 28 8.289 -11.151 -1.902 1.00 0.00 C ATOM 484 CD2 TYR A 28 9.763 -12.854 -0.977 1.00 0.00 C ATOM 485 CE1 TYR A 28 9.404 -10.414 -2.329 1.00 0.00 C ATOM 486 CE2 TYR A 28 10.879 -12.082 -1.352 1.00 0.00 C ATOM 487 CZ TYR A 28 10.697 -10.885 -2.065 1.00 0.00 C ATOM 488 OH TYR A 28 11.714 -10.383 -2.819 1.00 0.00 O ATOM 0 H TYR A 28 4.913 -14.006 -1.063 1.00 0.00 H new ATOM 0 HA TYR A 28 6.603 -13.221 -3.039 1.00 0.00 H new ATOM 0 HB2 TYR A 28 6.493 -12.647 -0.505 1.00 0.00 H new ATOM 0 HB3 TYR A 28 7.541 -14.031 -0.265 1.00 0.00 H new ATOM 0 HD1 TYR A 28 7.294 -10.759 -2.052 1.00 0.00 H new ATOM 0 HD2 TYR A 28 9.902 -13.792 -0.460 1.00 0.00 H new ATOM 0 HE1 TYR A 28 9.266 -9.484 -2.861 1.00 0.00 H new ATOM 0 HE2 TYR A 28 11.875 -12.410 -1.092 1.00 0.00 H new ATOM 0 HH TYR A 28 12.561 -10.788 -2.538 1.00 0.00 H new ATOM 498 N GLU A 29 7.365 -16.234 -1.992 1.00 0.00 N ATOM 499 CA GLU A 29 7.948 -17.480 -2.418 1.00 0.00 C ATOM 500 C GLU A 29 7.594 -17.790 -3.857 1.00 0.00 C ATOM 501 O GLU A 29 8.444 -17.897 -4.737 1.00 0.00 O ATOM 502 CB GLU A 29 7.315 -18.620 -1.612 1.00 0.00 C ATOM 503 CG GLU A 29 8.129 -19.003 -0.410 1.00 0.00 C ATOM 504 CD GLU A 29 8.029 -17.958 0.702 1.00 0.00 C ATOM 505 OE1 GLU A 29 8.768 -16.954 0.611 1.00 0.00 O ATOM 506 OE2 GLU A 29 7.175 -18.151 1.593 1.00 0.00 O ATOM 0 H GLU A 29 6.826 -16.305 -1.129 1.00 0.00 H new ATOM 0 HA GLU A 29 9.027 -17.395 -2.286 1.00 0.00 H new ATOM 0 HB2 GLU A 29 6.318 -18.321 -1.290 1.00 0.00 H new ATOM 0 HB3 GLU A 29 7.194 -19.491 -2.256 1.00 0.00 H new ATOM 0 HG2 GLU A 29 7.789 -19.968 -0.033 1.00 0.00 H new ATOM 0 HG3 GLU A 29 9.172 -19.124 -0.702 1.00 0.00 H new ATOM 513 N ARG A 30 6.294 -18.012 -4.052 1.00 0.00 N ATOM 514 CA ARG A 30 5.876 -18.759 -5.203 1.00 0.00 C ATOM 515 C ARG A 30 6.016 -17.922 -6.483 1.00 0.00 C ATOM 516 O ARG A 30 6.364 -18.450 -7.538 1.00 0.00 O ATOM 517 CB ARG A 30 4.406 -19.185 -5.069 1.00 0.00 C ATOM 518 CG ARG A 30 4.171 -20.306 -4.045 1.00 0.00 C ATOM 519 CD ARG A 30 2.665 -20.489 -3.790 1.00 0.00 C ATOM 520 NE ARG A 30 2.109 -19.264 -3.199 1.00 0.00 N ATOM 521 CZ ARG A 30 0.819 -18.964 -2.998 1.00 0.00 C ATOM 522 NH1 ARG A 30 -0.123 -19.863 -3.274 1.00 0.00 N ATOM 523 NH2 ARG A 30 0.491 -17.769 -2.507 1.00 0.00 N ATOM 0 H ARG A 30 5.544 -17.690 -3.440 1.00 0.00 H new ATOM 0 HA ARG A 30 6.517 -19.639 -5.266 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.811 -18.317 -4.785 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.044 -19.515 -6.043 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.601 -21.238 -4.411 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.679 -20.067 -3.111 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.153 -20.718 -4.725 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.500 -21.334 -3.121 1.00 0.00 H new ATOM 0 HE ARG A 30 2.785 -18.558 -2.907 1.00 0.00 H new ATOM 0 HH11 ARG A 30 0.138 -20.779 -3.638 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.106 -19.635 -3.121 1.00 0.00 H new ATOM 0 HH21 ARG A 30 1.220 -17.090 -2.287 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -0.489 -17.533 -2.351 1.00 0.00 H new ATOM 537 N GLN A 31 5.650 -16.640 -6.418 1.00 0.00 N ATOM 538 CA GLN A 31 5.690 -15.698 -7.527 1.00 0.00 C ATOM 539 C GLN A 31 6.319 -14.410 -6.966 1.00 0.00 C ATOM 540 O GLN A 31 6.244 -14.167 -5.766 1.00 0.00 O ATOM 541 CB GLN A 31 4.290 -15.607 -8.179 1.00 0.00 C ATOM 542 CG GLN A 31 4.380 -15.754 -9.711 1.00 0.00 C ATOM 543 CD GLN A 31 3.069 -16.084 -10.439 1.00 0.00 C ATOM 544 OE1 GLN A 31 3.077 -16.761 -11.461 1.00 0.00 O ATOM 545 NE2 GLN A 31 1.918 -15.568 -10.010 1.00 0.00 N ATOM 0 H GLN A 31 5.305 -16.218 -5.556 1.00 0.00 H new ATOM 0 HA GLN A 31 6.316 -15.995 -8.369 1.00 0.00 H new ATOM 0 HB2 GLN A 31 3.645 -16.386 -7.773 1.00 0.00 H new ATOM 0 HB3 GLN A 31 3.830 -14.651 -7.929 1.00 0.00 H new ATOM 0 HG2 GLN A 31 4.775 -14.825 -10.122 1.00 0.00 H new ATOM 0 HG3 GLN A 31 5.104 -16.536 -9.938 1.00 0.00 H new ATOM 0 HE21 GLN A 31 1.897 -15.003 -9.161 1.00 0.00 H new ATOM 0 HE22 GLN A 31 1.057 -15.738 -10.530 1.00 0.00 H new ATOM 554 N LYS A 32 7.048 -13.646 -7.786 1.00 0.00 N ATOM 555 CA LYS A 32 8.042 -12.700 -7.288 1.00 0.00 C ATOM 556 C LYS A 32 8.064 -11.275 -7.848 1.00 0.00 C ATOM 557 O LYS A 32 8.799 -10.472 -7.262 1.00 0.00 O ATOM 558 CB LYS A 32 9.411 -13.344 -7.574 1.00 0.00 C ATOM 559 CG LYS A 32 9.748 -14.444 -6.562 1.00 0.00 C ATOM 560 CD LYS A 32 10.862 -14.042 -5.587 1.00 0.00 C ATOM 561 CE LYS A 32 10.549 -12.836 -4.683 1.00 0.00 C ATOM 562 NZ LYS A 32 10.642 -11.509 -5.340 1.00 0.00 N ATOM 0 H LYS A 32 6.965 -13.668 -8.802 1.00 0.00 H new ATOM 0 HA LYS A 32 7.781 -12.541 -6.242 1.00 0.00 H new ATOM 0 HB2 LYS A 32 9.412 -13.764 -8.580 1.00 0.00 H new ATOM 0 HB3 LYS A 32 10.185 -12.577 -7.548 1.00 0.00 H new ATOM 0 HG2 LYS A 32 8.851 -14.696 -5.996 1.00 0.00 H new ATOM 0 HG3 LYS A 32 10.050 -15.343 -7.099 1.00 0.00 H new ATOM 0 HD2 LYS A 32 11.093 -14.898 -4.953 1.00 0.00 H new ATOM 0 HD3 LYS A 32 11.761 -13.819 -6.162 1.00 0.00 H new ATOM 0 HE2 LYS A 32 9.542 -12.955 -4.283 1.00 0.00 H new ATOM 0 HE3 LYS A 32 11.233 -12.852 -3.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 10.871 -10.785 -4.629 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 11.388 -11.532 -6.064 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 9.732 -11.279 -5.788 1.00 0.00 H new ATOM 576 N ASN A 33 7.457 -10.974 -8.997 1.00 0.00 N ATOM 577 CA ASN A 33 7.284 -9.621 -9.538 1.00 0.00 C ATOM 578 C ASN A 33 5.812 -9.470 -9.907 1.00 0.00 C ATOM 579 O ASN A 33 5.357 -10.281 -10.708 1.00 0.00 O ATOM 580 CB ASN A 33 8.122 -9.431 -10.809 1.00 0.00 C ATOM 581 CG ASN A 33 9.459 -8.785 -10.507 1.00 0.00 C ATOM 582 OD1 ASN A 33 9.862 -7.836 -11.175 1.00 0.00 O ATOM 583 ND2 ASN A 33 10.125 -9.262 -9.471 1.00 0.00 N ATOM 0 H ASN A 33 7.056 -11.692 -9.601 1.00 0.00 H new ATOM 0 HA ASN A 33 7.601 -8.885 -8.799 1.00 0.00 H new ATOM 0 HB2 ASN A 33 8.284 -10.398 -11.286 1.00 0.00 H new ATOM 0 HB3 ASN A 33 7.572 -8.814 -11.519 1.00 0.00 H new ATOM 0 HD21 ASN A 33 11.012 -8.840 -9.197 1.00 0.00 H new ATOM 0 HD22 ASN A 33 9.752 -10.052 -8.945 1.00 0.00 H new ATOM 590 N PRO A 34 5.083 -8.454 -9.410 1.00 0.00 N ATOM 591 CA PRO A 34 3.622 -8.463 -9.329 1.00 0.00 C ATOM 592 C PRO A 34 2.907 -8.301 -10.677 1.00 0.00 C ATOM 593 O PRO A 34 2.200 -7.312 -10.903 1.00 0.00 O ATOM 594 CB PRO A 34 3.284 -7.351 -8.328 1.00 0.00 C ATOM 595 CG PRO A 34 4.438 -6.361 -8.476 1.00 0.00 C ATOM 596 CD PRO A 34 5.625 -7.292 -8.725 1.00 0.00 C ATOM 0 HA PRO A 34 3.259 -9.437 -9.002 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.326 -6.885 -8.557 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.216 -7.736 -7.311 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.280 -5.671 -9.305 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.575 -5.756 -7.579 1.00 0.00 H new ATOM 0 HD2 PRO A 34 6.386 -6.801 -9.331 1.00 0.00 H new ATOM 0 HD3 PRO A 34 6.101 -7.578 -7.787 1.00 0.00 H new ATOM 604 N SER A 35 3.080 -9.269 -11.576 1.00 0.00 N ATOM 605 CA SER A 35 2.655 -9.187 -12.957 1.00 0.00 C ATOM 606 C SER A 35 1.137 -9.046 -13.029 1.00 0.00 C ATOM 607 O SER A 35 0.638 -7.954 -13.273 1.00 0.00 O ATOM 608 CB SER A 35 3.194 -10.387 -13.748 1.00 0.00 C ATOM 609 OG SER A 35 4.606 -10.484 -13.599 1.00 0.00 O ATOM 0 H SER A 35 3.534 -10.154 -11.349 1.00 0.00 H new ATOM 0 HA SER A 35 3.073 -8.296 -13.425 1.00 0.00 H new ATOM 0 HB2 SER A 35 2.721 -11.304 -13.397 1.00 0.00 H new ATOM 0 HB3 SER A 35 2.939 -10.280 -14.802 1.00 0.00 H new ATOM 0 HG SER A 35 4.829 -10.575 -12.649 1.00 0.00 H new ATOM 615 N LYS A 36 0.398 -10.127 -12.804 1.00 0.00 N ATOM 616 CA LYS A 36 -1.056 -10.161 -12.912 1.00 0.00 C ATOM 617 C LYS A 36 -1.550 -11.195 -11.918 1.00 0.00 C ATOM 618 O LYS A 36 -2.106 -10.876 -10.868 1.00 0.00 O ATOM 619 CB LYS A 36 -1.443 -10.619 -14.326 1.00 0.00 C ATOM 620 CG LYS A 36 -1.557 -9.459 -15.325 1.00 0.00 C ATOM 621 CD LYS A 36 -1.216 -9.885 -16.758 1.00 0.00 C ATOM 622 CE LYS A 36 0.301 -10.093 -16.886 1.00 0.00 C ATOM 623 NZ LYS A 36 0.725 -10.435 -18.254 1.00 0.00 N ATOM 0 H LYS A 36 0.802 -11.024 -12.535 1.00 0.00 H new ATOM 0 HA LYS A 36 -1.487 -9.179 -12.716 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -0.700 -11.330 -14.687 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -2.395 -11.148 -14.282 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.571 -9.059 -15.299 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.889 -8.653 -15.020 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.742 -10.806 -17.009 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -1.550 -9.124 -17.464 1.00 0.00 H new ATOM 0 HE2 LYS A 36 0.814 -9.185 -16.570 1.00 0.00 H new ATOM 0 HE3 LYS A 36 0.611 -10.887 -16.207 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 1.757 -10.563 -18.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.261 -11.317 -18.551 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.457 -9.667 -18.903 1.00 0.00 H new ATOM 637 N GLU A 37 -1.276 -12.449 -12.275 1.00 0.00 N ATOM 638 CA GLU A 37 -1.658 -13.643 -11.591 1.00 0.00 C ATOM 639 C GLU A 37 -1.137 -13.431 -10.171 1.00 0.00 C ATOM 640 O GLU A 37 -1.898 -13.490 -9.219 1.00 0.00 O ATOM 641 CB GLU A 37 -0.900 -14.768 -12.314 1.00 0.00 C ATOM 642 CG GLU A 37 -1.794 -15.736 -13.090 1.00 0.00 C ATOM 643 CD GLU A 37 -1.997 -15.208 -14.496 1.00 0.00 C ATOM 644 OE1 GLU A 37 -1.765 -14.002 -14.732 1.00 0.00 O ATOM 645 OE2 GLU A 37 -2.321 -15.997 -15.403 1.00 0.00 O ATOM 0 H GLU A 37 -0.739 -12.651 -13.118 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.722 -13.878 -11.572 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.184 -14.322 -13.004 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -0.326 -15.333 -11.580 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.337 -16.725 -13.123 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.755 -15.845 -12.587 1.00 0.00 H new ATOM 652 N GLU A 38 0.145 -13.053 -10.060 1.00 0.00 N ATOM 653 CA GLU A 38 0.816 -12.502 -8.899 1.00 0.00 C ATOM 654 C GLU A 38 0.242 -11.116 -8.652 1.00 0.00 C ATOM 655 O GLU A 38 0.837 -10.079 -8.938 1.00 0.00 O ATOM 656 CB GLU A 38 2.328 -12.396 -9.139 1.00 0.00 C ATOM 657 CG GLU A 38 3.086 -12.035 -7.858 1.00 0.00 C ATOM 658 CD GLU A 38 4.550 -11.810 -8.161 1.00 0.00 C ATOM 659 OE1 GLU A 38 5.055 -12.470 -9.102 1.00 0.00 O ATOM 660 OE2 GLU A 38 5.140 -10.921 -7.519 1.00 0.00 O ATOM 0 H GLU A 38 0.782 -13.137 -10.852 1.00 0.00 H new ATOM 0 HA GLU A 38 0.659 -13.152 -8.038 1.00 0.00 H new ATOM 0 HB2 GLU A 38 2.701 -13.344 -9.527 1.00 0.00 H new ATOM 0 HB3 GLU A 38 2.523 -11.641 -9.901 1.00 0.00 H new ATOM 0 HG2 GLU A 38 2.657 -11.136 -7.414 1.00 0.00 H new ATOM 0 HG3 GLU A 38 2.978 -12.835 -7.126 1.00 0.00 H new ATOM 667 N ARG A 39 -0.952 -11.176 -8.116 1.00 0.00 N ATOM 668 CA ARG A 39 -1.696 -10.182 -7.387 1.00 0.00 C ATOM 669 C ARG A 39 -3.089 -10.746 -7.216 1.00 0.00 C ATOM 670 O ARG A 39 -3.570 -10.861 -6.093 1.00 0.00 O ATOM 671 CB ARG A 39 -1.738 -8.817 -8.104 1.00 0.00 C ATOM 672 CG ARG A 39 -0.698 -7.839 -7.546 1.00 0.00 C ATOM 673 CD ARG A 39 -0.689 -6.497 -8.272 1.00 0.00 C ATOM 674 NE ARG A 39 -0.435 -6.637 -9.714 1.00 0.00 N ATOM 675 CZ ARG A 39 -1.188 -6.095 -10.684 1.00 0.00 C ATOM 676 NH1 ARG A 39 -2.319 -5.448 -10.408 1.00 0.00 N ATOM 677 NH2 ARG A 39 -0.789 -6.181 -11.943 1.00 0.00 N ATOM 0 H ARG A 39 -1.493 -12.037 -8.192 1.00 0.00 H new ATOM 0 HA ARG A 39 -1.215 -9.983 -6.430 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -1.562 -8.963 -9.170 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -2.733 -8.385 -8.001 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.897 -7.671 -6.487 1.00 0.00 H new ATOM 0 HG3 ARG A 39 0.292 -8.290 -7.617 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.648 -6.000 -8.122 1.00 0.00 H new ATOM 0 HD3 ARG A 39 0.075 -5.855 -7.833 1.00 0.00 H new ATOM 0 HE ARG A 39 0.375 -7.188 -9.998 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -2.631 -5.356 -9.441 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -2.873 -5.045 -11.163 1.00 0.00 H new ATOM 0 HH21 ARG A 39 0.085 -6.656 -12.170 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -1.355 -5.772 -12.686 1.00 0.00 H new ATOM 691 N GLU A 40 -3.701 -11.131 -8.328 1.00 0.00 N ATOM 692 CA GLU A 40 -5.067 -11.618 -8.344 1.00 0.00 C ATOM 693 C GLU A 40 -5.151 -12.852 -7.432 1.00 0.00 C ATOM 694 O GLU A 40 -6.022 -12.940 -6.569 1.00 0.00 O ATOM 695 CB GLU A 40 -5.466 -11.864 -9.804 1.00 0.00 C ATOM 696 CG GLU A 40 -6.557 -10.842 -10.161 1.00 0.00 C ATOM 697 CD GLU A 40 -6.753 -10.607 -11.637 1.00 0.00 C ATOM 698 OE1 GLU A 40 -5.818 -10.822 -12.434 1.00 0.00 O ATOM 699 OE2 GLU A 40 -7.855 -10.134 -11.980 1.00 0.00 O ATOM 0 H GLU A 40 -3.259 -11.113 -9.247 1.00 0.00 H new ATOM 0 HA GLU A 40 -5.784 -10.900 -7.946 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -4.604 -11.751 -10.462 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -5.835 -12.881 -9.935 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -7.502 -11.178 -9.734 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -6.312 -9.892 -9.687 1.00 0.00 H new ATOM 706 N THR A 41 -4.150 -13.726 -7.554 1.00 0.00 N ATOM 707 CA THR A 41 -3.854 -14.813 -6.638 1.00 0.00 C ATOM 708 C THR A 41 -3.965 -14.339 -5.196 1.00 0.00 C ATOM 709 O THR A 41 -4.757 -14.855 -4.417 1.00 0.00 O ATOM 710 CB THR A 41 -2.425 -15.294 -6.939 1.00 0.00 C ATOM 711 OG1 THR A 41 -2.402 -16.083 -8.113 1.00 0.00 O ATOM 712 CG2 THR A 41 -1.702 -16.021 -5.809 1.00 0.00 C ATOM 0 H THR A 41 -3.495 -13.687 -8.335 1.00 0.00 H new ATOM 0 HA THR A 41 -4.566 -15.628 -6.770 1.00 0.00 H new ATOM 0 HB THR A 41 -1.862 -14.370 -7.075 1.00 0.00 H new ATOM 0 HG1 THR A 41 -2.246 -15.508 -8.891 1.00 0.00 H new ATOM 0 HG21 THR A 41 -0.705 -16.310 -6.142 1.00 0.00 H new ATOM 0 HG22 THR A 41 -1.619 -15.361 -4.946 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.265 -16.912 -5.531 1.00 0.00 H new ATOM 720 N LEU A 42 -3.126 -13.371 -4.841 1.00 0.00 N ATOM 721 CA LEU A 42 -2.897 -13.041 -3.450 1.00 0.00 C ATOM 722 C LEU A 42 -4.180 -12.474 -2.857 1.00 0.00 C ATOM 723 O LEU A 42 -4.541 -12.788 -1.729 1.00 0.00 O ATOM 724 CB LEU A 42 -1.715 -12.069 -3.337 1.00 0.00 C ATOM 725 CG LEU A 42 -0.804 -12.411 -2.152 1.00 0.00 C ATOM 726 CD1 LEU A 42 0.468 -11.568 -2.186 1.00 0.00 C ATOM 727 CD2 LEU A 42 -1.468 -12.164 -0.804 1.00 0.00 C ATOM 0 H LEU A 42 -2.596 -12.804 -5.503 1.00 0.00 H new ATOM 0 HA LEU A 42 -2.633 -13.932 -2.880 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -1.135 -12.094 -4.260 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -2.091 -11.052 -3.224 1.00 0.00 H new ATOM 0 HG LEU A 42 -0.581 -13.473 -2.254 1.00 0.00 H new ATOM 0 HD11 LEU A 42 1.099 -11.827 -1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 42 1.009 -11.762 -3.112 1.00 0.00 H new ATOM 0 HD13 LEU A 42 0.206 -10.511 -2.134 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -0.775 -12.424 -0.004 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -1.741 -11.112 -0.720 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -2.364 -12.779 -0.722 1.00 0.00 H new ATOM 739 N VAL A 43 -4.874 -11.626 -3.615 1.00 0.00 N ATOM 740 CA VAL A 43 -6.128 -11.080 -3.136 1.00 0.00 C ATOM 741 C VAL A 43 -7.152 -12.186 -2.921 1.00 0.00 C ATOM 742 O VAL A 43 -7.791 -12.177 -1.884 1.00 0.00 O ATOM 743 CB VAL A 43 -6.673 -9.971 -4.038 1.00 0.00 C ATOM 744 CG1 VAL A 43 -7.897 -9.328 -3.375 1.00 0.00 C ATOM 745 CG2 VAL A 43 -5.646 -8.862 -4.198 1.00 0.00 C ATOM 0 H VAL A 43 -4.591 -11.312 -4.543 1.00 0.00 H new ATOM 0 HA VAL A 43 -5.926 -10.612 -2.173 1.00 0.00 H new ATOM 0 HB VAL A 43 -6.919 -10.417 -5.002 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -8.286 -8.538 -4.017 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -8.668 -10.084 -3.223 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -7.609 -8.905 -2.413 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -6.051 -8.082 -4.843 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -5.411 -8.440 -3.221 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -4.739 -9.268 -4.645 1.00 0.00 H new ATOM 755 N GLU A 44 -7.327 -13.113 -3.863 1.00 0.00 N ATOM 756 CA GLU A 44 -8.237 -14.244 -3.684 1.00 0.00 C ATOM 757 C GLU A 44 -7.870 -14.983 -2.395 1.00 0.00 C ATOM 758 O GLU A 44 -8.665 -15.022 -1.459 1.00 0.00 O ATOM 759 CB GLU A 44 -8.127 -15.120 -4.950 1.00 0.00 C ATOM 760 CG GLU A 44 -8.457 -16.616 -4.851 1.00 0.00 C ATOM 761 CD GLU A 44 -9.888 -16.928 -4.471 1.00 0.00 C ATOM 762 OE1 GLU A 44 -10.183 -17.026 -3.265 1.00 0.00 O ATOM 763 OE2 GLU A 44 -10.674 -17.292 -5.368 1.00 0.00 O ATOM 0 H GLU A 44 -6.847 -13.102 -4.763 1.00 0.00 H new ATOM 0 HA GLU A 44 -9.276 -13.935 -3.572 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -8.782 -14.688 -5.707 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -7.107 -15.032 -5.323 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -8.240 -17.085 -5.811 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.793 -17.072 -4.116 1.00 0.00 H new ATOM 770 N GLU A 45 -6.645 -15.507 -2.328 1.00 0.00 N ATOM 771 CA GLU A 45 -6.127 -16.263 -1.194 1.00 0.00 C ATOM 772 C GLU A 45 -6.458 -15.507 0.101 1.00 0.00 C ATOM 773 O GLU A 45 -6.996 -16.062 1.060 1.00 0.00 O ATOM 774 CB GLU A 45 -4.612 -16.423 -1.363 1.00 0.00 C ATOM 775 CG GLU A 45 -4.142 -17.863 -1.604 1.00 0.00 C ATOM 776 CD GLU A 45 -2.659 -17.925 -1.930 1.00 0.00 C ATOM 777 OE1 GLU A 45 -2.088 -16.935 -2.434 1.00 0.00 O ATOM 778 OE2 GLU A 45 -2.036 -18.979 -1.689 1.00 0.00 O ATOM 0 H GLU A 45 -5.968 -15.412 -3.085 1.00 0.00 H new ATOM 0 HA GLU A 45 -6.583 -17.252 -1.145 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -4.286 -15.804 -2.199 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -4.118 -16.039 -0.471 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -4.345 -18.465 -0.718 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -4.713 -18.299 -2.424 1.00 0.00 H new ATOM 785 N CYS A 46 -6.116 -14.220 0.110 1.00 0.00 N ATOM 786 CA CYS A 46 -6.269 -13.375 1.283 1.00 0.00 C ATOM 787 C CYS A 46 -7.737 -13.217 1.649 1.00 0.00 C ATOM 788 O CYS A 46 -8.147 -13.543 2.751 1.00 0.00 O ATOM 789 CB CYS A 46 -5.660 -11.993 1.063 1.00 0.00 C ATOM 790 SG CYS A 46 -5.789 -11.158 2.657 1.00 0.00 S ATOM 0 H CYS A 46 -5.725 -13.737 -0.699 1.00 0.00 H new ATOM 0 HA CYS A 46 -5.740 -13.867 2.099 1.00 0.00 H new ATOM 0 HB2 CYS A 46 -4.621 -12.067 0.741 1.00 0.00 H new ATOM 0 HB3 CYS A 46 -6.196 -11.446 0.288 1.00 0.00 H new ATOM 0 HG CYS A 46 -6.898 -10.481 2.704 1.00 0.00 H new ATOM 796 N ASN A 47 -8.526 -12.715 0.710 1.00 0.00 N ATOM 797 CA ASN A 47 -9.955 -12.453 0.818 1.00 0.00 C ATOM 798 C ASN A 47 -10.674 -13.689 1.327 1.00 0.00 C ATOM 799 O ASN A 47 -11.534 -13.601 2.198 1.00 0.00 O ATOM 800 CB ASN A 47 -10.497 -12.030 -0.554 1.00 0.00 C ATOM 801 CG ASN A 47 -10.231 -10.563 -0.908 1.00 0.00 C ATOM 802 OD1 ASN A 47 -10.797 -10.064 -1.877 1.00 0.00 O ATOM 803 ND2 ASN A 47 -9.405 -9.827 -0.164 1.00 0.00 N ATOM 0 H ASN A 47 -8.161 -12.463 -0.209 1.00 0.00 H new ATOM 0 HA ASN A 47 -10.128 -11.645 1.529 1.00 0.00 H new ATOM 0 HB2 ASN A 47 -10.050 -12.664 -1.320 1.00 0.00 H new ATOM 0 HB3 ASN A 47 -11.572 -12.209 -0.579 1.00 0.00 H new ATOM 0 HD21 ASN A 47 -9.242 -8.848 -0.399 1.00 0.00 H new ATOM 0 HD22 ASN A 47 -8.936 -10.243 0.640 1.00 0.00 H new ATOM 810 N ARG A 48 -10.315 -14.853 0.800 1.00 0.00 N ATOM 811 CA ARG A 48 -10.815 -16.126 1.273 1.00 0.00 C ATOM 812 C ARG A 48 -10.482 -16.267 2.760 1.00 0.00 C ATOM 813 O ARG A 48 -11.371 -16.461 3.584 1.00 0.00 O ATOM 814 CB ARG A 48 -10.215 -17.238 0.405 1.00 0.00 C ATOM 815 CG ARG A 48 -10.977 -18.559 0.550 1.00 0.00 C ATOM 816 CD ARG A 48 -10.450 -19.612 -0.434 1.00 0.00 C ATOM 817 NE ARG A 48 -10.687 -19.214 -1.837 1.00 0.00 N ATOM 818 CZ ARG A 48 -10.866 -20.043 -2.875 1.00 0.00 C ATOM 819 NH1 ARG A 48 -10.677 -21.356 -2.702 1.00 0.00 N ATOM 820 NH2 ARG A 48 -11.240 -19.577 -4.064 1.00 0.00 N ATOM 0 H ARG A 48 -9.660 -14.934 0.022 1.00 0.00 H new ATOM 0 HA ARG A 48 -11.899 -16.197 1.184 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.226 -16.927 -0.640 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -9.172 -17.390 0.682 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -10.879 -18.929 1.571 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -12.039 -18.391 0.373 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -9.382 -19.759 -0.273 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -10.936 -20.568 -0.239 1.00 0.00 H new ATOM 0 HE ARG A 48 -10.717 -18.214 -2.034 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -10.400 -21.715 -1.788 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -10.810 -21.998 -3.484 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -11.394 -18.577 -4.194 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -11.372 -20.220 -4.845 1.00 0.00 H new ATOM 834 N ALA A 49 -9.208 -16.129 3.125 1.00 0.00 N ATOM 835 CA ALA A 49 -8.810 -16.160 4.527 1.00 0.00 C ATOM 836 C ALA A 49 -9.581 -15.144 5.372 1.00 0.00 C ATOM 837 O ALA A 49 -9.987 -15.454 6.492 1.00 0.00 O ATOM 838 CB ALA A 49 -7.293 -16.000 4.671 1.00 0.00 C ATOM 0 H ALA A 49 -8.438 -15.995 2.470 1.00 0.00 H new ATOM 0 HA ALA A 49 -9.075 -17.142 4.919 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -7.023 -16.027 5.727 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -6.790 -16.813 4.147 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -6.985 -15.047 4.242 1.00 0.00 H new ATOM 844 N GLU A 50 -9.807 -13.942 4.849 1.00 0.00 N ATOM 845 CA GLU A 50 -10.501 -12.894 5.563 1.00 0.00 C ATOM 846 C GLU A 50 -11.948 -13.332 5.808 1.00 0.00 C ATOM 847 O GLU A 50 -12.464 -13.179 6.913 1.00 0.00 O ATOM 848 CB GLU A 50 -10.420 -11.591 4.767 1.00 0.00 C ATOM 849 CG GLU A 50 -9.035 -10.924 4.703 1.00 0.00 C ATOM 850 CD GLU A 50 -9.008 -9.765 3.707 1.00 0.00 C ATOM 851 OE1 GLU A 50 -9.366 -8.638 4.110 1.00 0.00 O ATOM 852 OE2 GLU A 50 -8.616 -10.005 2.544 1.00 0.00 O ATOM 0 H GLU A 50 -9.509 -13.674 3.911 1.00 0.00 H new ATOM 0 HA GLU A 50 -10.034 -12.714 6.531 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.753 -11.790 3.748 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -11.124 -10.880 5.199 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -8.761 -10.559 5.693 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -8.288 -11.665 4.419 1.00 0.00 H new ATOM 859 N CYS A 51 -12.604 -13.898 4.795 1.00 0.00 N ATOM 860 CA CYS A 51 -13.947 -14.446 4.945 1.00 0.00 C ATOM 861 C CYS A 51 -13.952 -15.566 5.982 1.00 0.00 C ATOM 862 O CYS A 51 -14.829 -15.590 6.842 1.00 0.00 O ATOM 863 CB CYS A 51 -14.573 -14.856 3.600 1.00 0.00 C ATOM 864 SG CYS A 51 -14.576 -16.644 3.302 1.00 0.00 S ATOM 0 H CYS A 51 -12.220 -13.988 3.854 1.00 0.00 H new ATOM 0 HA CYS A 51 -14.595 -13.655 5.322 1.00 0.00 H new ATOM 0 HB2 CYS A 51 -15.599 -14.490 3.562 1.00 0.00 H new ATOM 0 HB3 CYS A 51 -14.029 -14.365 2.793 1.00 0.00 H new ATOM 0 HG CYS A 51 -15.581 -17.186 3.924 1.00 0.00 H new ATOM 870 N ILE A 52 -12.948 -16.445 5.988 1.00 0.00 N ATOM 871 CA ILE A 52 -12.939 -17.627 6.836 1.00 0.00 C ATOM 872 C ILE A 52 -12.916 -17.190 8.297 1.00 0.00 C ATOM 873 O ILE A 52 -13.504 -17.864 9.140 1.00 0.00 O ATOM 874 CB ILE A 52 -11.767 -18.557 6.454 1.00 0.00 C ATOM 875 CG1 ILE A 52 -12.110 -19.264 5.130 1.00 0.00 C ATOM 876 CG2 ILE A 52 -11.482 -19.602 7.545 1.00 0.00 C ATOM 877 CD1 ILE A 52 -10.914 -19.974 4.487 1.00 0.00 C ATOM 0 H ILE A 52 -12.119 -16.352 5.402 1.00 0.00 H new ATOM 0 HA ILE A 52 -13.845 -18.213 6.685 1.00 0.00 H new ATOM 0 HB ILE A 52 -10.868 -17.951 6.344 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -12.900 -19.993 5.311 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -12.507 -18.531 4.428 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -10.650 -20.235 7.235 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -11.225 -19.096 8.476 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -12.368 -20.218 7.700 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -11.229 -20.450 3.558 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -10.131 -19.247 4.274 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -10.530 -20.731 5.170 1.00 0.00 H new ATOM 889 N GLN A 53 -12.312 -16.033 8.587 1.00 0.00 N ATOM 890 CA GLN A 53 -12.364 -15.458 9.933 1.00 0.00 C ATOM 891 C GLN A 53 -13.786 -15.482 10.500 1.00 0.00 C ATOM 892 O GLN A 53 -13.969 -15.664 11.703 1.00 0.00 O ATOM 893 CB GLN A 53 -11.876 -14.001 9.974 1.00 0.00 C ATOM 894 CG GLN A 53 -10.411 -13.846 9.551 1.00 0.00 C ATOM 895 CD GLN A 53 -9.947 -12.394 9.610 1.00 0.00 C ATOM 896 OE1 GLN A 53 -10.472 -11.585 10.371 1.00 0.00 O ATOM 897 NE2 GLN A 53 -8.947 -12.038 8.812 1.00 0.00 N ATOM 0 H GLN A 53 -11.785 -15.480 7.911 1.00 0.00 H new ATOM 0 HA GLN A 53 -11.701 -16.080 10.534 1.00 0.00 H new ATOM 0 HB2 GLN A 53 -12.503 -13.395 9.320 1.00 0.00 H new ATOM 0 HB3 GLN A 53 -12.000 -13.611 10.984 1.00 0.00 H new ATOM 0 HG2 GLN A 53 -9.781 -14.454 10.200 1.00 0.00 H new ATOM 0 HG3 GLN A 53 -10.285 -14.225 8.537 1.00 0.00 H new ATOM 0 HE21 GLN A 53 -8.524 -12.724 8.187 1.00 0.00 H new ATOM 0 HE22 GLN A 53 -8.602 -11.078 8.824 1.00 0.00 H new ATOM 906 N ARG A 54 -14.785 -15.172 9.667 1.00 0.00 N ATOM 907 CA ARG A 54 -16.137 -14.903 10.108 1.00 0.00 C ATOM 908 C ARG A 54 -17.173 -15.453 9.123 1.00 0.00 C ATOM 909 O ARG A 54 -18.273 -14.907 9.023 1.00 0.00 O ATOM 910 CB ARG A 54 -16.268 -13.387 10.281 1.00 0.00 C ATOM 911 CG ARG A 54 -15.243 -12.854 11.300 1.00 0.00 C ATOM 912 CD ARG A 54 -15.566 -11.445 11.796 1.00 0.00 C ATOM 913 NE ARG A 54 -16.937 -11.372 12.311 1.00 0.00 N ATOM 914 CZ ARG A 54 -17.374 -11.917 13.460 1.00 0.00 C ATOM 915 NH1 ARG A 54 -16.504 -12.516 14.279 1.00 0.00 N ATOM 916 NH2 ARG A 54 -18.672 -11.865 13.772 1.00 0.00 N ATOM 0 H ARG A 54 -14.665 -15.103 8.656 1.00 0.00 H new ATOM 0 HA ARG A 54 -16.332 -15.407 11.054 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -16.120 -12.894 9.320 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -17.277 -13.142 10.613 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -15.201 -13.532 12.153 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -14.253 -12.854 10.844 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -14.864 -11.161 12.580 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -15.441 -10.731 10.982 1.00 0.00 H new ATOM 0 HE ARG A 54 -17.619 -10.863 11.748 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -15.516 -12.558 14.031 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -16.829 -12.931 15.152 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -19.331 -11.412 13.139 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -19.004 -12.278 14.643 1.00 0.00 H new ATOM 930 N GLY A 55 -16.837 -16.525 8.411 1.00 0.00 N ATOM 931 CA GLY A 55 -17.656 -17.082 7.348 1.00 0.00 C ATOM 932 C GLY A 55 -17.804 -16.101 6.181 1.00 0.00 C ATOM 933 O GLY A 55 -17.119 -16.234 5.170 1.00 0.00 O ATOM 0 H GLY A 55 -15.969 -17.039 8.563 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -17.209 -18.009 6.991 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -18.641 -17.334 7.740 1.00 0.00 H new ATOM 937 N VAL A 56 -18.709 -15.129 6.318 1.00 0.00 N ATOM 938 CA VAL A 56 -19.205 -14.283 5.236 1.00 0.00 C ATOM 939 C VAL A 56 -19.773 -15.149 4.092 1.00 0.00 C ATOM 940 O VAL A 56 -19.658 -16.372 4.082 1.00 0.00 O ATOM 941 CB VAL A 56 -18.126 -13.236 4.857 1.00 0.00 C ATOM 942 CG1 VAL A 56 -18.250 -12.578 3.478 1.00 0.00 C ATOM 943 CG2 VAL A 56 -18.134 -12.106 5.891 1.00 0.00 C ATOM 0 H VAL A 56 -19.130 -14.903 7.219 1.00 0.00 H new ATOM 0 HA VAL A 56 -20.061 -13.686 5.550 1.00 0.00 H new ATOM 0 HB VAL A 56 -17.203 -13.816 4.833 1.00 0.00 H new ATOM 0 HG11 VAL A 56 -17.435 -11.868 3.339 1.00 0.00 H new ATOM 0 HG12 VAL A 56 -18.200 -13.344 2.704 1.00 0.00 H new ATOM 0 HG13 VAL A 56 -19.203 -12.054 3.409 1.00 0.00 H new ATOM 0 HG21 VAL A 56 -17.377 -11.367 5.629 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -19.115 -11.631 5.904 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -17.916 -12.514 6.878 1.00 0.00 H new ATOM 953 N SER A 57 -20.482 -14.534 3.148 1.00 0.00 N ATOM 954 CA SER A 57 -20.925 -15.241 1.959 1.00 0.00 C ATOM 955 C SER A 57 -19.651 -15.515 1.157 1.00 0.00 C ATOM 956 O SER A 57 -19.012 -14.539 0.770 1.00 0.00 O ATOM 957 CB SER A 57 -21.876 -14.344 1.164 1.00 0.00 C ATOM 958 OG SER A 57 -23.190 -14.861 1.146 1.00 0.00 O ATOM 0 H SER A 57 -20.759 -13.553 3.187 1.00 0.00 H new ATOM 0 HA SER A 57 -21.457 -16.163 2.191 1.00 0.00 H new ATOM 0 HB2 SER A 57 -21.884 -13.345 1.600 1.00 0.00 H new ATOM 0 HB3 SER A 57 -21.511 -14.242 0.142 1.00 0.00 H new ATOM 0 HG SER A 57 -23.776 -14.249 0.654 1.00 0.00 H new ATOM 964 N PRO A 58 -19.251 -16.765 0.884 1.00 0.00 N ATOM 965 CA PRO A 58 -17.979 -17.042 0.230 1.00 0.00 C ATOM 966 C PRO A 58 -17.898 -16.340 -1.129 1.00 0.00 C ATOM 967 O PRO A 58 -16.896 -15.721 -1.477 1.00 0.00 O ATOM 968 CB PRO A 58 -17.894 -18.569 0.121 1.00 0.00 C ATOM 969 CG PRO A 58 -19.348 -19.039 0.230 1.00 0.00 C ATOM 970 CD PRO A 58 -19.989 -17.990 1.140 1.00 0.00 C ATOM 0 HA PRO A 58 -17.130 -16.656 0.795 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -17.447 -18.876 -0.825 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -17.279 -18.991 0.916 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -19.833 -19.076 -0.745 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -19.417 -20.039 0.658 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -21.048 -17.867 0.914 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -19.918 -18.281 2.188 1.00 0.00 H new ATOM 978 N SER A 59 -18.995 -16.379 -1.879 1.00 0.00 N ATOM 979 CA SER A 59 -19.140 -15.704 -3.158 1.00 0.00 C ATOM 980 C SER A 59 -18.902 -14.193 -3.047 1.00 0.00 C ATOM 981 O SER A 59 -18.589 -13.533 -4.037 1.00 0.00 O ATOM 982 CB SER A 59 -20.552 -16.009 -3.670 1.00 0.00 C ATOM 983 OG SER A 59 -21.455 -16.061 -2.571 1.00 0.00 O ATOM 0 H SER A 59 -19.830 -16.897 -1.603 1.00 0.00 H new ATOM 0 HA SER A 59 -18.387 -16.068 -3.857 1.00 0.00 H new ATOM 0 HB2 SER A 59 -20.867 -15.242 -4.377 1.00 0.00 H new ATOM 0 HB3 SER A 59 -20.559 -16.958 -4.205 1.00 0.00 H new ATOM 0 HG SER A 59 -22.358 -16.254 -2.899 1.00 0.00 H new ATOM 989 N GLN A 60 -19.095 -13.632 -1.855 1.00 0.00 N ATOM 990 CA GLN A 60 -18.913 -12.229 -1.548 1.00 0.00 C ATOM 991 C GLN A 60 -17.789 -12.076 -0.523 1.00 0.00 C ATOM 992 O GLN A 60 -17.864 -11.186 0.324 1.00 0.00 O ATOM 993 CB GLN A 60 -20.234 -11.657 -1.007 1.00 0.00 C ATOM 994 CG GLN A 60 -21.407 -11.853 -1.980 1.00 0.00 C ATOM 995 CD GLN A 60 -22.724 -11.449 -1.328 1.00 0.00 C ATOM 996 OE1 GLN A 60 -23.209 -12.134 -0.432 1.00 0.00 O ATOM 997 NE2 GLN A 60 -23.321 -10.341 -1.748 1.00 0.00 N ATOM 0 H GLN A 60 -19.396 -14.174 -1.045 1.00 0.00 H new ATOM 0 HA GLN A 60 -18.636 -11.678 -2.447 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -20.471 -12.136 -0.057 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -20.109 -10.593 -0.805 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -21.243 -11.258 -2.879 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -21.456 -12.896 -2.293 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -22.901 -9.787 -2.494 1.00 0.00 H new ATOM 0 HE22 GLN A 60 -24.200 -10.044 -1.325 1.00 0.00 H new ATOM 1006 N ALA A 61 -16.732 -12.897 -0.608 1.00 0.00 N ATOM 1007 CA ALA A 61 -15.643 -12.799 0.361 1.00 0.00 C ATOM 1008 C ALA A 61 -15.054 -11.398 0.377 1.00 0.00 C ATOM 1009 O ALA A 61 -14.607 -10.924 1.409 1.00 0.00 O ATOM 1010 CB ALA A 61 -14.502 -13.769 0.026 1.00 0.00 C ATOM 0 H ALA A 61 -16.613 -13.617 -1.320 1.00 0.00 H new ATOM 0 HA ALA A 61 -16.073 -13.047 1.332 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -13.710 -13.669 0.768 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -14.879 -14.792 0.034 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -14.105 -13.537 -0.962 1.00 0.00 H new ATOM 1016 N GLN A 62 -15.158 -10.677 -0.734 1.00 0.00 N ATOM 1017 CA GLN A 62 -14.527 -9.378 -0.862 1.00 0.00 C ATOM 1018 C GLN A 62 -15.370 -8.304 -0.143 1.00 0.00 C ATOM 1019 O GLN A 62 -14.994 -7.133 -0.104 1.00 0.00 O ATOM 1020 CB GLN A 62 -14.215 -9.137 -2.353 1.00 0.00 C ATOM 1021 CG GLN A 62 -14.057 -7.699 -2.868 1.00 0.00 C ATOM 1022 CD GLN A 62 -15.350 -7.088 -3.396 1.00 0.00 C ATOM 1023 OE1 GLN A 62 -15.612 -7.141 -4.591 1.00 0.00 O ATOM 1024 NE2 GLN A 62 -16.150 -6.469 -2.542 1.00 0.00 N ATOM 0 H GLN A 62 -15.677 -10.976 -1.560 1.00 0.00 H new ATOM 0 HA GLN A 62 -13.565 -9.324 -0.353 1.00 0.00 H new ATOM 0 HB2 GLN A 62 -13.293 -9.670 -2.584 1.00 0.00 H new ATOM 0 HB3 GLN A 62 -15.009 -9.607 -2.933 1.00 0.00 H new ATOM 0 HG2 GLN A 62 -13.674 -7.074 -2.061 1.00 0.00 H new ATOM 0 HG3 GLN A 62 -13.310 -7.687 -3.662 1.00 0.00 H new ATOM 0 HE21 GLN A 62 -15.911 -6.438 -1.551 1.00 0.00 H new ATOM 0 HE22 GLN A 62 -17.005 -6.024 -2.875 1.00 0.00 H new ATOM 1033 N GLY A 63 -16.506 -8.648 0.465 1.00 0.00 N ATOM 1034 CA GLY A 63 -17.376 -7.680 1.122 1.00 0.00 C ATOM 1035 C GLY A 63 -16.824 -7.123 2.442 1.00 0.00 C ATOM 1036 O GLY A 63 -17.567 -6.494 3.193 1.00 0.00 O ATOM 0 H GLY A 63 -16.847 -9.608 0.514 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -17.556 -6.850 0.439 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -18.341 -8.149 1.315 1.00 0.00 H new ATOM 1040 N LEU A 64 -15.536 -7.299 2.747 1.00 0.00 N ATOM 1041 CA LEU A 64 -14.940 -6.996 4.049 1.00 0.00 C ATOM 1042 C LEU A 64 -14.604 -5.509 4.189 1.00 0.00 C ATOM 1043 O LEU A 64 -13.554 -5.157 4.727 1.00 0.00 O ATOM 1044 CB LEU A 64 -13.660 -7.823 4.196 1.00 0.00 C ATOM 1045 CG LEU A 64 -13.877 -9.328 3.992 1.00 0.00 C ATOM 1046 CD1 LEU A 64 -12.688 -9.862 3.191 1.00 0.00 C ATOM 1047 CD2 LEU A 64 -14.006 -10.036 5.337 1.00 0.00 C ATOM 0 H LEU A 64 -14.861 -7.666 2.076 1.00 0.00 H new ATOM 0 HA LEU A 64 -15.660 -7.245 4.829 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -12.923 -7.469 3.475 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -13.241 -7.656 5.188 1.00 0.00 H new ATOM 0 HG LEU A 64 -14.802 -9.514 3.447 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -12.811 -10.933 3.028 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -12.639 -9.352 2.229 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -11.766 -9.683 3.745 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -14.159 -11.103 5.173 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -13.095 -9.885 5.916 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -14.856 -9.627 5.884 1.00 0.00 H new ATOM 1059 N GLY A 65 -15.490 -4.645 3.693 1.00 0.00 N ATOM 1060 CA GLY A 65 -15.321 -3.216 3.458 1.00 0.00 C ATOM 1061 C GLY A 65 -13.984 -2.646 3.932 1.00 0.00 C ATOM 1062 O GLY A 65 -13.016 -2.595 3.170 1.00 0.00 O ATOM 0 H GLY A 65 -16.423 -4.957 3.423 1.00 0.00 H new ATOM 0 HA2 GLY A 65 -15.426 -3.022 2.391 1.00 0.00 H new ATOM 0 HA3 GLY A 65 -16.127 -2.681 3.960 1.00 0.00 H new ATOM 1066 N SER A 66 -13.925 -2.228 5.196 1.00 0.00 N ATOM 1067 CA SER A 66 -12.821 -1.503 5.786 1.00 0.00 C ATOM 1068 C SER A 66 -11.508 -2.286 5.687 1.00 0.00 C ATOM 1069 O SER A 66 -10.454 -1.701 5.435 1.00 0.00 O ATOM 1070 CB SER A 66 -13.179 -1.267 7.261 1.00 0.00 C ATOM 1071 OG SER A 66 -13.586 0.074 7.456 1.00 0.00 O ATOM 0 H SER A 66 -14.682 -2.397 5.858 1.00 0.00 H new ATOM 0 HA SER A 66 -12.669 -0.565 5.253 1.00 0.00 H new ATOM 0 HB2 SER A 66 -13.978 -1.945 7.562 1.00 0.00 H new ATOM 0 HB3 SER A 66 -12.318 -1.489 7.892 1.00 0.00 H new ATOM 0 HG SER A 66 -13.813 0.213 8.399 1.00 0.00 H new ATOM 1077 N ASN A 67 -11.571 -3.589 5.941 1.00 0.00 N ATOM 1078 CA ASN A 67 -10.411 -4.441 6.169 1.00 0.00 C ATOM 1079 C ASN A 67 -9.894 -4.987 4.849 1.00 0.00 C ATOM 1080 O ASN A 67 -8.692 -5.158 4.719 1.00 0.00 O ATOM 1081 CB ASN A 67 -10.776 -5.603 7.097 1.00 0.00 C ATOM 1082 CG ASN A 67 -11.052 -5.124 8.517 1.00 0.00 C ATOM 1083 OD1 ASN A 67 -11.841 -4.206 8.733 1.00 0.00 O ATOM 1084 ND2 ASN A 67 -10.400 -5.715 9.509 1.00 0.00 N ATOM 0 H ASN A 67 -12.455 -4.095 5.995 1.00 0.00 H new ATOM 0 HA ASN A 67 -9.632 -3.842 6.640 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -11.655 -6.117 6.709 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -9.963 -6.329 7.109 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -10.549 -5.410 10.471 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -9.749 -6.475 9.310 1.00 0.00 H new ATOM 1091 N LEU A 68 -10.798 -5.206 3.889 1.00 0.00 N ATOM 1092 CA LEU A 68 -10.538 -5.872 2.618 1.00 0.00 C ATOM 1093 C LEU A 68 -9.140 -5.595 2.076 1.00 0.00 C ATOM 1094 O LEU A 68 -8.806 -4.436 1.792 1.00 0.00 O ATOM 1095 CB LEU A 68 -11.599 -5.427 1.600 1.00 0.00 C ATOM 1096 CG LEU A 68 -11.337 -5.857 0.150 1.00 0.00 C ATOM 1097 CD1 LEU A 68 -11.570 -7.362 0.022 1.00 0.00 C ATOM 1098 CD2 LEU A 68 -12.245 -5.058 -0.789 1.00 0.00 C ATOM 0 H LEU A 68 -11.769 -4.910 3.985 1.00 0.00 H new ATOM 0 HA LEU A 68 -10.594 -6.947 2.788 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -12.566 -5.824 1.910 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -11.676 -4.340 1.631 1.00 0.00 H new ATOM 0 HG LEU A 68 -10.304 -5.651 -0.129 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -11.385 -7.673 -1.006 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -10.891 -7.893 0.689 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -12.600 -7.595 0.292 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -12.060 -5.362 -1.819 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -13.288 -5.248 -0.536 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -12.034 -3.994 -0.681 1.00 0.00 H new ATOM 1110 N VAL A 69 -8.375 -6.658 1.864 1.00 0.00 N ATOM 1111 CA VAL A 69 -7.170 -6.597 1.060 1.00 0.00 C ATOM 1112 C VAL A 69 -7.570 -6.361 -0.396 1.00 0.00 C ATOM 1113 O VAL A 69 -8.370 -7.102 -0.961 1.00 0.00 O ATOM 1114 CB VAL A 69 -6.309 -7.853 1.264 1.00 0.00 C ATOM 1115 CG1 VAL A 69 -5.106 -7.889 0.313 1.00 0.00 C ATOM 1116 CG2 VAL A 69 -5.808 -7.885 2.716 1.00 0.00 C ATOM 0 H VAL A 69 -8.575 -7.583 2.245 1.00 0.00 H new ATOM 0 HA VAL A 69 -6.541 -5.764 1.374 1.00 0.00 H new ATOM 0 HB VAL A 69 -6.928 -8.724 1.047 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.526 -8.794 0.493 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.458 -7.883 -0.719 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -4.478 -7.015 0.488 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -5.196 -8.774 2.870 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -5.212 -6.994 2.915 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -6.661 -7.910 3.395 1.00 0.00 H new ATOM 1126 N THR A 70 -7.031 -5.297 -0.994 1.00 0.00 N ATOM 1127 CA THR A 70 -7.272 -4.908 -2.373 1.00 0.00 C ATOM 1128 C THR A 70 -6.019 -5.185 -3.213 1.00 0.00 C ATOM 1129 O THR A 70 -4.912 -5.091 -2.678 1.00 0.00 O ATOM 1130 CB THR A 70 -7.604 -3.412 -2.380 1.00 0.00 C ATOM 1131 OG1 THR A 70 -6.599 -2.664 -1.696 1.00 0.00 O ATOM 1132 CG2 THR A 70 -8.950 -3.127 -1.708 1.00 0.00 C ATOM 0 H THR A 70 -6.394 -4.665 -0.510 1.00 0.00 H new ATOM 0 HA THR A 70 -8.098 -5.477 -2.801 1.00 0.00 H new ATOM 0 HB THR A 70 -7.651 -3.110 -3.426 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.831 -1.712 -1.714 1.00 0.00 H new ATOM 0 HG21 THR A 70 -9.150 -2.056 -1.733 1.00 0.00 H new ATOM 0 HG22 THR A 70 -9.741 -3.656 -2.239 1.00 0.00 H new ATOM 0 HG23 THR A 70 -8.919 -3.466 -0.673 1.00 0.00 H new ATOM 1140 N GLU A 71 -6.152 -5.431 -4.521 1.00 0.00 N ATOM 1141 CA GLU A 71 -5.015 -5.797 -5.364 1.00 0.00 C ATOM 1142 C GLU A 71 -3.950 -4.704 -5.381 1.00 0.00 C ATOM 1143 O GLU A 71 -2.769 -4.991 -5.218 1.00 0.00 O ATOM 1144 CB GLU A 71 -5.469 -6.297 -6.741 1.00 0.00 C ATOM 1145 CG GLU A 71 -6.028 -5.199 -7.638 1.00 0.00 C ATOM 1146 CD GLU A 71 -5.003 -4.748 -8.655 1.00 0.00 C ATOM 1147 OE1 GLU A 71 -3.806 -4.669 -8.309 1.00 0.00 O ATOM 1148 OE2 GLU A 71 -5.415 -4.487 -9.801 1.00 0.00 O ATOM 0 H GLU A 71 -7.041 -5.382 -5.018 1.00 0.00 H new ATOM 0 HA GLU A 71 -4.511 -6.655 -4.919 1.00 0.00 H new ATOM 0 HB2 GLU A 71 -4.624 -6.769 -7.243 1.00 0.00 H new ATOM 0 HB3 GLU A 71 -6.230 -7.066 -6.606 1.00 0.00 H new ATOM 0 HG2 GLU A 71 -6.918 -5.563 -8.152 1.00 0.00 H new ATOM 0 HG3 GLU A 71 -6.337 -4.350 -7.028 1.00 0.00 H new ATOM 1155 N VAL A 72 -4.366 -3.438 -5.433 1.00 0.00 N ATOM 1156 CA VAL A 72 -3.460 -2.304 -5.322 1.00 0.00 C ATOM 1157 C VAL A 72 -2.563 -2.414 -4.083 1.00 0.00 C ATOM 1158 O VAL A 72 -1.441 -1.910 -4.074 1.00 0.00 O ATOM 1159 CB VAL A 72 -4.264 -0.990 -5.326 1.00 0.00 C ATOM 1160 CG1 VAL A 72 -5.253 -0.887 -4.156 1.00 0.00 C ATOM 1161 CG2 VAL A 72 -3.333 0.226 -5.290 1.00 0.00 C ATOM 0 H VAL A 72 -5.344 -3.174 -5.554 1.00 0.00 H new ATOM 0 HA VAL A 72 -2.796 -2.307 -6.187 1.00 0.00 H new ATOM 0 HB VAL A 72 -4.836 -0.999 -6.254 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -5.789 0.061 -4.215 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -5.965 -1.710 -4.208 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -4.708 -0.938 -3.213 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -3.927 1.140 -5.294 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -2.725 0.192 -4.386 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -2.683 0.213 -6.165 1.00 0.00 H new ATOM 1171 N ARG A 73 -3.037 -3.043 -3.005 1.00 0.00 N ATOM 1172 CA ARG A 73 -2.216 -3.219 -1.822 1.00 0.00 C ATOM 1173 C ARG A 73 -1.145 -4.262 -2.069 1.00 0.00 C ATOM 1174 O ARG A 73 -0.010 -4.089 -1.634 1.00 0.00 O ATOM 1175 CB ARG A 73 -3.036 -3.627 -0.603 1.00 0.00 C ATOM 1176 CG ARG A 73 -2.469 -2.919 0.637 1.00 0.00 C ATOM 1177 CD ARG A 73 -2.939 -1.458 0.680 1.00 0.00 C ATOM 1178 NE ARG A 73 -1.959 -0.482 0.167 1.00 0.00 N ATOM 1179 CZ ARG A 73 -2.182 0.840 0.254 1.00 0.00 C ATOM 1180 NH1 ARG A 73 -3.431 1.259 0.468 1.00 0.00 N ATOM 1181 NH2 ARG A 73 -1.169 1.705 0.156 1.00 0.00 N ATOM 0 H ARG A 73 -3.977 -3.433 -2.934 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.756 -2.253 -1.615 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -4.083 -3.358 -0.745 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.000 -4.708 -0.469 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -2.791 -3.438 1.539 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -1.380 -2.957 0.619 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.858 -1.369 0.101 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.185 -1.199 1.710 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.096 -0.817 -0.262 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.187 0.581 0.561 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -3.629 2.257 0.538 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -0.218 1.363 0.014 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -1.346 2.707 0.223 1.00 0.00 H new ATOM 1195 N VAL A 74 -1.519 -5.351 -2.729 1.00 0.00 N ATOM 1196 CA VAL A 74 -0.573 -6.384 -3.079 1.00 0.00 C ATOM 1197 C VAL A 74 0.480 -5.755 -4.000 1.00 0.00 C ATOM 1198 O VAL A 74 1.679 -5.866 -3.749 1.00 0.00 O ATOM 1199 CB VAL A 74 -1.303 -7.567 -3.726 1.00 0.00 C ATOM 1200 CG1 VAL A 74 -0.271 -8.629 -4.104 1.00 0.00 C ATOM 1201 CG2 VAL A 74 -2.314 -8.208 -2.777 1.00 0.00 C ATOM 0 H VAL A 74 -2.476 -5.535 -3.030 1.00 0.00 H new ATOM 0 HA VAL A 74 -0.071 -6.784 -2.198 1.00 0.00 H new ATOM 0 HB VAL A 74 -1.839 -7.191 -4.598 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -0.775 -9.478 -4.566 1.00 0.00 H new ATOM 0 HG12 VAL A 74 0.446 -8.206 -4.808 1.00 0.00 H new ATOM 0 HG13 VAL A 74 0.253 -8.962 -3.208 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -2.806 -9.041 -3.279 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -1.799 -8.573 -1.889 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -3.060 -7.468 -2.486 1.00 0.00 H new ATOM 1211 N TYR A 75 0.026 -5.020 -5.023 1.00 0.00 N ATOM 1212 CA TYR A 75 0.882 -4.195 -5.861 1.00 0.00 C ATOM 1213 C TYR A 75 1.806 -3.382 -4.965 1.00 0.00 C ATOM 1214 O TYR A 75 3.015 -3.438 -5.122 1.00 0.00 O ATOM 1215 CB TYR A 75 0.059 -3.278 -6.791 1.00 0.00 C ATOM 1216 CG TYR A 75 0.852 -2.713 -7.961 1.00 0.00 C ATOM 1217 CD1 TYR A 75 1.933 -1.846 -7.720 1.00 0.00 C ATOM 1218 CD2 TYR A 75 0.518 -3.043 -9.290 1.00 0.00 C ATOM 1219 CE1 TYR A 75 2.739 -1.408 -8.780 1.00 0.00 C ATOM 1220 CE2 TYR A 75 1.293 -2.555 -10.360 1.00 0.00 C ATOM 1221 CZ TYR A 75 2.413 -1.748 -10.102 1.00 0.00 C ATOM 1222 OH TYR A 75 3.148 -1.196 -11.109 1.00 0.00 O ATOM 0 H TYR A 75 -0.958 -4.986 -5.289 1.00 0.00 H new ATOM 0 HA TYR A 75 1.475 -4.841 -6.509 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.791 -3.839 -7.179 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -0.345 -2.452 -6.206 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.143 -1.516 -6.713 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -0.336 -3.673 -9.489 1.00 0.00 H new ATOM 0 HE1 TYR A 75 3.614 -0.807 -8.579 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.026 -2.801 -11.377 1.00 0.00 H new ATOM 0 HH TYR A 75 2.815 -1.519 -11.972 1.00 0.00 H new ATOM 1232 N ASN A 76 1.250 -2.628 -4.019 1.00 0.00 N ATOM 1233 CA ASN A 76 2.040 -1.766 -3.151 1.00 0.00 C ATOM 1234 C ASN A 76 3.127 -2.563 -2.441 1.00 0.00 C ATOM 1235 O ASN A 76 4.275 -2.131 -2.445 1.00 0.00 O ATOM 1236 CB ASN A 76 1.178 -1.036 -2.108 1.00 0.00 C ATOM 1237 CG ASN A 76 0.679 0.328 -2.562 1.00 0.00 C ATOM 1238 OD1 ASN A 76 0.793 1.304 -1.823 1.00 0.00 O ATOM 1239 ND2 ASN A 76 0.076 0.427 -3.735 1.00 0.00 N ATOM 0 H ASN A 76 0.247 -2.599 -3.836 1.00 0.00 H new ATOM 0 HA ASN A 76 2.497 -1.015 -3.795 1.00 0.00 H new ATOM 0 HB2 ASN A 76 0.320 -1.661 -1.859 1.00 0.00 H new ATOM 0 HB3 ASN A 76 1.759 -0.913 -1.194 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -0.303 1.324 -4.039 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -0.010 -0.393 -4.335 1.00 0.00 H new ATOM 1246 N TRP A 77 2.784 -3.667 -1.777 1.00 0.00 N ATOM 1247 CA TRP A 77 3.755 -4.407 -0.981 1.00 0.00 C ATOM 1248 C TRP A 77 4.851 -4.963 -1.897 1.00 0.00 C ATOM 1249 O TRP A 77 6.031 -4.707 -1.670 1.00 0.00 O ATOM 1250 CB TRP A 77 3.076 -5.470 -0.091 1.00 0.00 C ATOM 1251 CG TRP A 77 3.397 -6.896 -0.410 1.00 0.00 C ATOM 1252 CD1 TRP A 77 2.710 -7.651 -1.290 1.00 0.00 C ATOM 1253 CD2 TRP A 77 4.465 -7.757 0.096 1.00 0.00 C ATOM 1254 NE1 TRP A 77 3.317 -8.872 -1.438 1.00 0.00 N ATOM 1255 CE2 TRP A 77 4.366 -9.017 -0.564 1.00 0.00 C ATOM 1256 CE3 TRP A 77 5.498 -7.620 1.050 1.00 0.00 C ATOM 1257 CZ2 TRP A 77 5.214 -10.088 -0.275 1.00 0.00 C ATOM 1258 CZ3 TRP A 77 6.269 -8.732 1.434 1.00 0.00 C ATOM 1259 CH2 TRP A 77 6.154 -9.956 0.755 1.00 0.00 C ATOM 0 H TRP A 77 1.845 -4.065 -1.776 1.00 0.00 H new ATOM 0 HA TRP A 77 4.241 -3.732 -0.276 1.00 0.00 H new ATOM 0 HB2 TRP A 77 3.355 -5.279 0.945 1.00 0.00 H new ATOM 0 HB3 TRP A 77 1.996 -5.337 -0.161 1.00 0.00 H new ATOM 0 HD1 TRP A 77 1.812 -7.340 -1.804 1.00 0.00 H new ATOM 0 HE1 TRP A 77 3.026 -9.581 -2.111 1.00 0.00 H new ATOM 0 HE3 TRP A 77 5.697 -6.653 1.488 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 5.146 -11.007 -0.839 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 6.958 -8.643 2.261 1.00 0.00 H new ATOM 0 HH2 TRP A 77 6.786 -10.789 1.025 1.00 0.00 H new ATOM 1270 N PHE A 78 4.471 -5.694 -2.946 1.00 0.00 N ATOM 1271 CA PHE A 78 5.440 -6.328 -3.824 1.00 0.00 C ATOM 1272 C PHE A 78 6.283 -5.275 -4.522 1.00 0.00 C ATOM 1273 O PHE A 78 7.502 -5.394 -4.586 1.00 0.00 O ATOM 1274 CB PHE A 78 4.753 -7.188 -4.883 1.00 0.00 C ATOM 1275 CG PHE A 78 4.255 -8.535 -4.419 1.00 0.00 C ATOM 1276 CD1 PHE A 78 5.164 -9.454 -3.865 1.00 0.00 C ATOM 1277 CD2 PHE A 78 2.989 -8.980 -4.832 1.00 0.00 C ATOM 1278 CE1 PHE A 78 4.777 -10.786 -3.664 1.00 0.00 C ATOM 1279 CE2 PHE A 78 2.629 -10.329 -4.688 1.00 0.00 C ATOM 1280 CZ PHE A 78 3.517 -11.230 -4.081 1.00 0.00 C ATOM 0 H PHE A 78 3.498 -5.858 -3.203 1.00 0.00 H new ATOM 0 HA PHE A 78 6.072 -6.966 -3.206 1.00 0.00 H new ATOM 0 HB2 PHE A 78 3.908 -6.629 -5.285 1.00 0.00 H new ATOM 0 HB3 PHE A 78 5.452 -7.344 -5.705 1.00 0.00 H new ATOM 0 HD1 PHE A 78 6.159 -9.134 -3.595 1.00 0.00 H new ATOM 0 HD2 PHE A 78 2.288 -8.280 -5.263 1.00 0.00 H new ATOM 0 HE1 PHE A 78 5.456 -11.475 -3.184 1.00 0.00 H new ATOM 0 HE2 PHE A 78 1.669 -10.673 -5.044 1.00 0.00 H new ATOM 0 HZ PHE A 78 3.230 -12.261 -3.936 1.00 0.00 H new ATOM 1290 N ALA A 79 5.633 -4.245 -5.059 1.00 0.00 N ATOM 1291 CA ALA A 79 6.324 -3.140 -5.687 1.00 0.00 C ATOM 1292 C ALA A 79 7.309 -2.555 -4.692 1.00 0.00 C ATOM 1293 O ALA A 79 8.453 -2.343 -5.055 1.00 0.00 O ATOM 1294 CB ALA A 79 5.355 -2.073 -6.197 1.00 0.00 C ATOM 0 H ALA A 79 4.617 -4.160 -5.067 1.00 0.00 H new ATOM 0 HA ALA A 79 6.859 -3.510 -6.562 1.00 0.00 H new ATOM 0 HB1 ALA A 79 5.917 -1.263 -6.661 1.00 0.00 H new ATOM 0 HB2 ALA A 79 4.682 -2.514 -6.932 1.00 0.00 H new ATOM 0 HB3 ALA A 79 4.774 -1.680 -5.362 1.00 0.00 H new ATOM 1300 N ASN A 80 6.896 -2.310 -3.446 1.00 0.00 N ATOM 1301 CA ASN A 80 7.822 -1.821 -2.431 1.00 0.00 C ATOM 1302 C ASN A 80 8.999 -2.777 -2.281 1.00 0.00 C ATOM 1303 O ASN A 80 10.133 -2.324 -2.300 1.00 0.00 O ATOM 1304 CB ASN A 80 7.154 -1.530 -1.081 1.00 0.00 C ATOM 1305 CG ASN A 80 6.593 -0.112 -1.035 1.00 0.00 C ATOM 1306 OD1 ASN A 80 7.323 0.871 -0.973 1.00 0.00 O ATOM 1307 ND2 ASN A 80 5.278 0.037 -1.111 1.00 0.00 N ATOM 0 H ASN A 80 5.938 -2.441 -3.122 1.00 0.00 H new ATOM 0 HA ASN A 80 8.193 -0.858 -2.783 1.00 0.00 H new ATOM 0 HB2 ASN A 80 6.351 -2.247 -0.908 1.00 0.00 H new ATOM 0 HB3 ASN A 80 7.879 -1.663 -0.278 1.00 0.00 H new ATOM 0 HD21 ASN A 80 4.870 0.972 -1.118 1.00 0.00 H new ATOM 0 HD22 ASN A 80 4.674 -0.783 -1.162 1.00 0.00 H new ATOM 1314 N ARG A 81 8.763 -4.085 -2.175 1.00 0.00 N ATOM 1315 CA ARG A 81 9.852 -5.050 -2.055 1.00 0.00 C ATOM 1316 C ARG A 81 10.811 -4.962 -3.249 1.00 0.00 C ATOM 1317 O ARG A 81 11.995 -4.693 -3.083 1.00 0.00 O ATOM 1318 CB ARG A 81 9.304 -6.475 -1.844 1.00 0.00 C ATOM 1319 CG ARG A 81 8.709 -6.686 -0.440 1.00 0.00 C ATOM 1320 CD ARG A 81 9.835 -6.902 0.584 1.00 0.00 C ATOM 1321 NE ARG A 81 9.395 -6.755 1.982 1.00 0.00 N ATOM 1322 CZ ARG A 81 10.168 -6.263 2.972 1.00 0.00 C ATOM 1323 NH1 ARG A 81 11.449 -5.980 2.768 1.00 0.00 N ATOM 1324 NH2 ARG A 81 9.652 -6.059 4.187 1.00 0.00 N ATOM 0 H ARG A 81 7.830 -4.498 -2.170 1.00 0.00 H new ATOM 0 HA ARG A 81 10.435 -4.798 -1.169 1.00 0.00 H new ATOM 0 HB2 ARG A 81 8.538 -6.679 -2.592 1.00 0.00 H new ATOM 0 HB3 ARG A 81 10.106 -7.195 -2.005 1.00 0.00 H new ATOM 0 HG2 ARG A 81 8.110 -5.820 -0.156 1.00 0.00 H new ATOM 0 HG3 ARG A 81 8.041 -7.548 -0.445 1.00 0.00 H new ATOM 0 HD2 ARG A 81 10.254 -7.899 0.446 1.00 0.00 H new ATOM 0 HD3 ARG A 81 10.636 -6.190 0.387 1.00 0.00 H new ATOM 0 HE ARG A 81 8.445 -7.044 2.216 1.00 0.00 H new ATOM 0 HH11 ARG A 81 11.865 -6.134 1.850 1.00 0.00 H new ATOM 0 HH12 ARG A 81 12.017 -5.609 3.530 1.00 0.00 H new ATOM 0 HH21 ARG A 81 8.672 -6.275 4.368 1.00 0.00 H new ATOM 0 HH22 ARG A 81 10.238 -5.687 4.934 1.00 0.00 H new ATOM 1338 N ARG A 82 10.332 -5.137 -4.480 1.00 0.00 N ATOM 1339 CA ARG A 82 11.247 -5.034 -5.613 1.00 0.00 C ATOM 1340 C ARG A 82 11.737 -3.591 -5.825 1.00 0.00 C ATOM 1341 O ARG A 82 12.656 -3.346 -6.602 1.00 0.00 O ATOM 1342 CB ARG A 82 10.665 -5.658 -6.883 1.00 0.00 C ATOM 1343 CG ARG A 82 9.410 -4.941 -7.383 1.00 0.00 C ATOM 1344 CD ARG A 82 9.298 -5.106 -8.902 1.00 0.00 C ATOM 1345 NE ARG A 82 8.343 -4.153 -9.483 1.00 0.00 N ATOM 1346 CZ ARG A 82 8.588 -2.853 -9.699 1.00 0.00 C ATOM 1347 NH1 ARG A 82 9.724 -2.308 -9.258 1.00 0.00 N ATOM 1348 NH2 ARG A 82 7.675 -2.126 -10.338 1.00 0.00 N ATOM 0 H ARG A 82 9.360 -5.342 -4.712 1.00 0.00 H new ATOM 0 HA ARG A 82 12.130 -5.623 -5.367 1.00 0.00 H new ATOM 0 HB2 ARG A 82 11.422 -5.643 -7.668 1.00 0.00 H new ATOM 0 HB3 ARG A 82 10.426 -6.704 -6.690 1.00 0.00 H new ATOM 0 HG2 ARG A 82 8.525 -5.351 -6.896 1.00 0.00 H new ATOM 0 HG3 ARG A 82 9.455 -3.883 -7.124 1.00 0.00 H new ATOM 0 HD2 ARG A 82 10.278 -4.962 -9.357 1.00 0.00 H new ATOM 0 HD3 ARG A 82 8.984 -6.123 -9.135 1.00 0.00 H new ATOM 0 HE ARG A 82 7.422 -4.508 -9.742 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.404 -2.881 -8.758 1.00 0.00 H new ATOM 0 HH12 ARG A 82 9.912 -1.319 -9.421 1.00 0.00 H new ATOM 0 HH21 ARG A 82 6.807 -2.560 -10.654 1.00 0.00 H new ATOM 0 HH22 ARG A 82 7.843 -1.135 -10.512 1.00 0.00 H new