USER MOD reduce.3.24.130724 H: found=0, std=0, add=511, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 512 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 28 THR OG1 : rot 34:sc= 0.22 USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 85:sc= 0.0123 USER MOD Single : A 40 THR OG1 : rot -56:sc= 0.1 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= -2.88! USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -125:sc= 0.849 (180deg=-0.0176) USER MOD Single : A 53 GLN : amide:sc= 0.543 K(o=0.54,f=-5.1!) USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-2.3!) USER MOD Single : A 57 ASN : amide:sc= -0.517 X(o=-0.52,f=-0.37) USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 SER OG : rot -57:sc= 0.793! USER MOD Single : A 70 THR OG1 : rot -140:sc= -0.296 USER MOD Single : A 72 LYS NZ :NH3+ -128:sc= -0.131 (180deg=-2.43!) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 SER OG : rot -113:sc= 0.761 USER MOD Single : A 79 ASN : amide:sc= -0.14 K(o=-0.14,f=-1.2!) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 93 TYR OH : rot -77:sc= 0.216! USER MOD ----------------------------------------------------------------- ATOM 324 N THR A 28 7.684 2.899 -0.975 1.00 0.00 N ATOM 325 CA THR A 28 6.966 2.800 -2.239 1.00 0.00 C ATOM 326 C THR A 28 5.466 2.971 -2.034 1.00 0.00 C ATOM 327 O THR A 28 4.879 2.362 -1.140 1.00 0.00 O ATOM 328 CB THR A 28 7.228 1.449 -2.930 1.00 0.00 C ATOM 329 OG1 THR A 28 8.633 1.176 -2.957 1.00 0.00 O ATOM 330 CG2 THR A 28 6.680 1.451 -4.349 1.00 0.00 C ATOM 0 HA THR A 28 7.336 3.603 -2.876 1.00 0.00 H new ATOM 0 HB THR A 28 6.718 0.671 -2.361 1.00 0.00 H new ATOM 0 HG1 THR A 28 9.051 1.533 -2.146 1.00 0.00 H new ATOM 0 HG21 THR A 28 6.877 0.486 -4.817 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.605 1.629 -4.324 1.00 0.00 H new ATOM 0 HG23 THR A 28 7.165 2.239 -4.925 1.00 0.00 H new ATOM 338 N ILE A 29 4.850 3.803 -2.868 1.00 0.00 N ATOM 339 CA ILE A 29 3.417 4.052 -2.778 1.00 0.00 C ATOM 340 C ILE A 29 2.618 2.860 -3.296 1.00 0.00 C ATOM 341 O ILE A 29 2.953 2.276 -4.327 1.00 0.00 O ATOM 342 CB ILE A 29 3.013 5.309 -3.571 1.00 0.00 C ATOM 343 CG1 ILE A 29 3.386 6.572 -2.791 1.00 0.00 C ATOM 344 CG2 ILE A 29 1.522 5.288 -3.874 1.00 0.00 C ATOM 345 CD1 ILE A 29 2.731 6.656 -1.430 1.00 0.00 C ATOM 0 H ILE A 29 5.321 4.316 -3.613 1.00 0.00 H new ATOM 0 HA ILE A 29 3.190 4.209 -1.723 1.00 0.00 H new ATOM 0 HB ILE A 29 3.556 5.314 -4.516 1.00 0.00 H new ATOM 0 HG12 ILE A 29 4.468 6.607 -2.667 1.00 0.00 H new ATOM 0 HG13 ILE A 29 3.104 7.447 -3.376 1.00 0.00 H new ATOM 0 HG21 ILE A 29 1.252 6.183 -4.435 1.00 0.00 H new ATOM 0 HG22 ILE A 29 1.283 4.404 -4.465 1.00 0.00 H new ATOM 0 HG23 ILE A 29 0.961 5.262 -2.940 1.00 0.00 H new ATOM 0 HD11 ILE A 29 3.040 7.576 -0.934 1.00 0.00 H new ATOM 0 HD12 ILE A 29 1.647 6.653 -1.547 1.00 0.00 H new ATOM 0 HD13 ILE A 29 3.033 5.799 -0.827 1.00 0.00 H new ATOM 357 N PHE A 30 1.560 2.506 -2.575 1.00 0.00 N ATOM 358 CA PHE A 30 0.713 1.384 -2.961 1.00 0.00 C ATOM 359 C PHE A 30 -0.762 1.720 -2.757 1.00 0.00 C ATOM 360 O PHE A 30 -1.129 2.390 -1.792 1.00 0.00 O ATOM 361 CB PHE A 30 1.080 0.137 -2.153 1.00 0.00 C ATOM 362 CG PHE A 30 2.181 -0.676 -2.772 1.00 0.00 C ATOM 363 CD1 PHE A 30 3.485 -0.207 -2.781 1.00 0.00 C ATOM 364 CD2 PHE A 30 1.912 -1.908 -3.344 1.00 0.00 C ATOM 365 CE1 PHE A 30 4.499 -0.952 -3.351 1.00 0.00 C ATOM 366 CE2 PHE A 30 2.923 -2.659 -3.915 1.00 0.00 C ATOM 367 CZ PHE A 30 4.218 -2.181 -3.917 1.00 0.00 C ATOM 0 H PHE A 30 1.269 2.980 -1.720 1.00 0.00 H new ATOM 0 HA PHE A 30 0.879 1.184 -4.020 1.00 0.00 H new ATOM 0 HB2 PHE A 30 1.382 0.439 -1.150 1.00 0.00 H new ATOM 0 HB3 PHE A 30 0.194 -0.489 -2.044 1.00 0.00 H new ATOM 0 HD1 PHE A 30 3.711 0.751 -2.338 1.00 0.00 H new ATOM 0 HD2 PHE A 30 0.901 -2.287 -3.344 1.00 0.00 H new ATOM 0 HE1 PHE A 30 5.511 -0.574 -3.354 1.00 0.00 H new ATOM 0 HE2 PHE A 30 2.700 -3.618 -4.359 1.00 0.00 H new ATOM 0 HZ PHE A 30 5.010 -2.766 -4.360 1.00 0.00 H new ATOM 377 N VAL A 31 -1.602 1.250 -3.673 1.00 0.00 N ATOM 378 CA VAL A 31 -3.037 1.500 -3.594 1.00 0.00 C ATOM 379 C VAL A 31 -3.815 0.196 -3.464 1.00 0.00 C ATOM 380 O VAL A 31 -3.445 -0.821 -4.050 1.00 0.00 O ATOM 381 CB VAL A 31 -3.542 2.265 -4.832 1.00 0.00 C ATOM 382 CG1 VAL A 31 -5.025 2.009 -5.049 1.00 0.00 C ATOM 383 CG2 VAL A 31 -3.265 3.754 -4.686 1.00 0.00 C ATOM 0 H VAL A 31 -1.314 0.694 -4.478 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.204 2.110 -2.706 1.00 0.00 H new ATOM 0 HB VAL A 31 -3.004 1.902 -5.708 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -5.364 2.557 -5.928 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -5.192 0.942 -5.200 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -5.584 2.343 -4.175 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -3.628 4.280 -5.569 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -3.776 4.134 -3.802 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -2.192 3.916 -4.583 1.00 0.00 H new ATOM 393 N ALA A 32 -4.897 0.233 -2.692 1.00 0.00 N ATOM 394 CA ALA A 32 -5.730 -0.945 -2.487 1.00 0.00 C ATOM 395 C ALA A 32 -6.833 -1.027 -3.537 1.00 0.00 C ATOM 396 O ALA A 32 -7.715 -0.170 -3.593 1.00 0.00 O ATOM 397 CB ALA A 32 -6.329 -0.931 -1.089 1.00 0.00 C ATOM 0 H ALA A 32 -5.217 1.067 -2.199 1.00 0.00 H new ATOM 0 HA ALA A 32 -5.099 -1.828 -2.591 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -6.949 -1.817 -0.950 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -5.528 -0.929 -0.350 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -6.940 -0.037 -0.964 1.00 0.00 H new ATOM 403 N LEU A 33 -6.777 -2.063 -4.367 1.00 0.00 N ATOM 404 CA LEU A 33 -7.772 -2.257 -5.416 1.00 0.00 C ATOM 405 C LEU A 33 -9.038 -2.895 -4.855 1.00 0.00 C ATOM 406 O LEU A 33 -10.146 -2.596 -5.300 1.00 0.00 O ATOM 407 CB LEU A 33 -7.199 -3.130 -6.534 1.00 0.00 C ATOM 408 CG LEU A 33 -5.773 -2.803 -6.977 1.00 0.00 C ATOM 409 CD1 LEU A 33 -5.289 -3.813 -8.006 1.00 0.00 C ATOM 410 CD2 LEU A 33 -5.699 -1.390 -7.538 1.00 0.00 C ATOM 0 H LEU A 33 -6.053 -2.781 -4.334 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.030 -1.279 -5.823 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -7.227 -4.169 -6.207 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.855 -3.051 -7.401 1.00 0.00 H new ATOM 0 HG LEU A 33 -5.120 -2.861 -6.106 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.272 -3.564 -8.310 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.303 -4.812 -7.570 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -5.944 -3.788 -8.877 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.676 -1.175 -7.848 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -6.364 -1.304 -8.397 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.003 -0.678 -6.771 1.00 0.00 H new ATOM 422 N TYR A 34 -8.866 -3.774 -3.874 1.00 0.00 N ATOM 423 CA TYR A 34 -9.995 -4.456 -3.251 1.00 0.00 C ATOM 424 C TYR A 34 -10.092 -4.107 -1.769 1.00 0.00 C ATOM 425 O TYR A 34 -9.080 -4.016 -1.074 1.00 0.00 O ATOM 426 CB TYR A 34 -9.862 -5.970 -3.423 1.00 0.00 C ATOM 427 CG TYR A 34 -9.220 -6.377 -4.730 1.00 0.00 C ATOM 428 CD1 TYR A 34 -9.971 -6.476 -5.894 1.00 0.00 C ATOM 429 CD2 TYR A 34 -7.862 -6.664 -4.800 1.00 0.00 C ATOM 430 CE1 TYR A 34 -9.389 -6.848 -7.091 1.00 0.00 C ATOM 431 CE2 TYR A 34 -7.272 -7.035 -5.992 1.00 0.00 C ATOM 432 CZ TYR A 34 -8.039 -7.126 -7.135 1.00 0.00 C ATOM 433 OH TYR A 34 -7.455 -7.497 -8.324 1.00 0.00 O ATOM 0 H TYR A 34 -7.956 -4.031 -3.493 1.00 0.00 H new ATOM 0 HA TYR A 34 -10.907 -4.120 -3.745 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -9.273 -6.370 -2.598 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -10.851 -6.423 -3.357 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -11.028 -6.258 -5.863 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.258 -6.596 -3.907 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -9.988 -6.921 -7.987 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -6.215 -7.253 -6.029 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.498 -7.656 -8.183 1.00 0.00 H new ATOM 443 N ASP A 35 -11.316 -3.913 -1.292 1.00 0.00 N ATOM 444 CA ASP A 35 -11.548 -3.576 0.107 1.00 0.00 C ATOM 445 C ASP A 35 -11.291 -4.782 1.006 1.00 0.00 C ATOM 446 O ASP A 35 -11.795 -5.876 0.752 1.00 0.00 O ATOM 447 CB ASP A 35 -12.979 -3.073 0.303 1.00 0.00 C ATOM 448 CG ASP A 35 -13.983 -3.847 -0.528 1.00 0.00 C ATOM 449 OD1 ASP A 35 -13.907 -3.772 -1.772 1.00 0.00 O ATOM 450 OD2 ASP A 35 -14.846 -4.528 0.066 1.00 0.00 O ATOM 0 H ASP A 35 -12.164 -3.983 -1.854 1.00 0.00 H new ATOM 0 HA ASP A 35 -10.853 -2.784 0.384 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -13.247 -3.150 1.357 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.029 -2.017 0.038 1.00 0.00 H new ATOM 455 N TYR A 36 -10.505 -4.574 2.056 1.00 0.00 N ATOM 456 CA TYR A 36 -10.178 -5.644 2.991 1.00 0.00 C ATOM 457 C TYR A 36 -10.423 -5.204 4.430 1.00 0.00 C ATOM 458 O TYR A 36 -10.640 -4.023 4.701 1.00 0.00 O ATOM 459 CB TYR A 36 -8.721 -6.074 2.817 1.00 0.00 C ATOM 460 CG TYR A 36 -8.246 -7.045 3.875 1.00 0.00 C ATOM 461 CD1 TYR A 36 -8.585 -8.391 3.813 1.00 0.00 C ATOM 462 CD2 TYR A 36 -7.459 -6.616 4.937 1.00 0.00 C ATOM 463 CE1 TYR A 36 -8.154 -9.281 4.778 1.00 0.00 C ATOM 464 CE2 TYR A 36 -7.022 -7.499 5.905 1.00 0.00 C ATOM 465 CZ TYR A 36 -7.373 -8.831 5.821 1.00 0.00 C ATOM 466 OH TYR A 36 -6.941 -9.714 6.784 1.00 0.00 O ATOM 0 H TYR A 36 -10.082 -3.674 2.281 1.00 0.00 H new ATOM 0 HA TYR A 36 -10.828 -6.492 2.775 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.601 -6.532 1.835 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -8.085 -5.189 2.836 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -9.196 -8.748 2.997 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -7.184 -5.574 5.007 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.428 -10.324 4.715 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -6.409 -7.149 6.723 1.00 0.00 H new ATOM 0 HH TYR A 36 -6.120 -10.154 6.480 1.00 0.00 H new ATOM 476 N GLU A 37 -10.384 -6.163 5.351 1.00 0.00 N ATOM 477 CA GLU A 37 -10.602 -5.874 6.763 1.00 0.00 C ATOM 478 C GLU A 37 -9.587 -6.613 7.632 1.00 0.00 C ATOM 479 O GLU A 37 -9.518 -7.841 7.616 1.00 0.00 O ATOM 480 CB GLU A 37 -12.022 -6.266 7.174 1.00 0.00 C ATOM 481 CG GLU A 37 -12.406 -5.795 8.567 1.00 0.00 C ATOM 482 CD GLU A 37 -11.672 -6.547 9.660 1.00 0.00 C ATOM 483 OE1 GLU A 37 -11.274 -7.706 9.418 1.00 0.00 O ATOM 484 OE2 GLU A 37 -11.495 -5.977 10.757 1.00 0.00 O ATOM 0 H GLU A 37 -10.204 -7.145 5.144 1.00 0.00 H new ATOM 0 HA GLU A 37 -10.472 -4.802 6.912 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -12.727 -5.852 6.453 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.118 -7.351 7.127 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.193 -4.730 8.658 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.480 -5.918 8.705 1.00 0.00 H new ATOM 491 N ALA A 38 -8.801 -5.854 8.388 1.00 0.00 N ATOM 492 CA ALA A 38 -7.792 -6.435 9.264 1.00 0.00 C ATOM 493 C ALA A 38 -8.396 -7.510 10.161 1.00 0.00 C ATOM 494 O ALA A 38 -9.128 -7.207 11.103 1.00 0.00 O ATOM 495 CB ALA A 38 -7.136 -5.350 10.107 1.00 0.00 C ATOM 0 H ALA A 38 -8.844 -4.835 8.411 1.00 0.00 H new ATOM 0 HA ALA A 38 -7.032 -6.904 8.639 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.384 -5.799 10.757 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.661 -4.619 9.453 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -7.893 -4.855 10.716 1.00 0.00 H new ATOM 501 N ARG A 39 -8.085 -8.767 9.861 1.00 0.00 N ATOM 502 CA ARG A 39 -8.600 -9.888 10.638 1.00 0.00 C ATOM 503 C ARG A 39 -8.161 -9.785 12.096 1.00 0.00 C ATOM 504 O ARG A 39 -8.970 -9.935 13.012 1.00 0.00 O ATOM 505 CB ARG A 39 -8.120 -11.213 10.043 1.00 0.00 C ATOM 506 CG ARG A 39 -8.912 -11.654 8.823 1.00 0.00 C ATOM 507 CD ARG A 39 -8.088 -12.560 7.921 1.00 0.00 C ATOM 508 NE ARG A 39 -8.187 -13.962 8.316 1.00 0.00 N ATOM 509 CZ ARG A 39 -7.818 -14.973 7.537 1.00 0.00 C ATOM 510 NH1 ARG A 39 -7.328 -14.738 6.328 1.00 0.00 N ATOM 511 NH2 ARG A 39 -7.939 -16.223 7.968 1.00 0.00 N ATOM 0 H ARG A 39 -7.479 -9.035 9.085 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.689 -9.854 10.600 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -7.069 -11.119 9.769 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.183 -11.988 10.806 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -9.812 -12.179 9.143 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -9.236 -10.777 8.262 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -8.425 -12.449 6.890 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -7.044 -12.248 7.950 1.00 0.00 H new ATOM 0 HE ARG A 39 -8.560 -14.177 9.241 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -7.233 -13.779 5.994 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -7.045 -15.516 5.732 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -8.316 -16.408 8.898 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -7.655 -16.999 7.369 1.00 0.00 H new ATOM 525 N THR A 40 -6.873 -9.528 12.304 1.00 0.00 N ATOM 526 CA THR A 40 -6.326 -9.407 13.650 1.00 0.00 C ATOM 527 C THR A 40 -5.552 -8.103 13.813 1.00 0.00 C ATOM 528 O THR A 40 -5.049 -7.541 12.840 1.00 0.00 O ATOM 529 CB THR A 40 -5.396 -10.588 13.987 1.00 0.00 C ATOM 530 OG1 THR A 40 -4.160 -10.456 13.277 1.00 0.00 O ATOM 531 CG2 THR A 40 -6.053 -11.912 13.630 1.00 0.00 C ATOM 0 H THR A 40 -6.190 -9.400 11.558 1.00 0.00 H new ATOM 0 HA THR A 40 -7.172 -9.413 14.337 1.00 0.00 H new ATOM 0 HB THR A 40 -5.201 -10.575 15.059 1.00 0.00 H new ATOM 0 HG1 THR A 40 -4.340 -10.395 12.316 1.00 0.00 H new ATOM 0 HG21 THR A 40 -5.378 -12.731 13.877 1.00 0.00 H new ATOM 0 HG22 THR A 40 -6.979 -12.022 14.194 1.00 0.00 H new ATOM 0 HG23 THR A 40 -6.274 -11.933 12.563 1.00 0.00 H new ATOM 539 N THR A 41 -5.460 -7.626 15.051 1.00 0.00 N ATOM 540 CA THR A 41 -4.748 -6.389 15.342 1.00 0.00 C ATOM 541 C THR A 41 -3.415 -6.334 14.603 1.00 0.00 C ATOM 542 O THR A 41 -2.878 -5.256 14.354 1.00 0.00 O ATOM 543 CB THR A 41 -4.492 -6.230 16.852 1.00 0.00 C ATOM 544 OG1 THR A 41 -3.846 -4.978 17.111 1.00 0.00 O ATOM 545 CG2 THR A 41 -3.630 -7.368 17.378 1.00 0.00 C ATOM 0 H THR A 41 -5.870 -8.079 15.868 1.00 0.00 H new ATOM 0 HA THR A 41 -5.383 -5.571 15.001 1.00 0.00 H new ATOM 0 HB THR A 41 -5.453 -6.256 17.365 1.00 0.00 H new ATOM 0 HG1 THR A 41 -3.688 -4.884 18.074 1.00 0.00 H new ATOM 0 HG21 THR A 41 -3.463 -7.234 18.447 1.00 0.00 H new ATOM 0 HG22 THR A 41 -4.137 -8.318 17.206 1.00 0.00 H new ATOM 0 HG23 THR A 41 -2.672 -7.369 16.858 1.00 0.00 H new ATOM 553 N GLU A 42 -2.889 -7.504 14.255 1.00 0.00 N ATOM 554 CA GLU A 42 -1.618 -7.588 13.545 1.00 0.00 C ATOM 555 C GLU A 42 -1.768 -7.111 12.103 1.00 0.00 C ATOM 556 O GLU A 42 -0.896 -6.424 11.571 1.00 0.00 O ATOM 557 CB GLU A 42 -1.090 -9.024 13.566 1.00 0.00 C ATOM 558 CG GLU A 42 -1.091 -9.653 14.950 1.00 0.00 C ATOM 559 CD GLU A 42 -0.021 -10.715 15.108 1.00 0.00 C ATOM 560 OE1 GLU A 42 1.133 -10.353 15.418 1.00 0.00 O ATOM 561 OE2 GLU A 42 -0.338 -11.909 14.922 1.00 0.00 O ATOM 0 H GLU A 42 -3.323 -8.406 14.453 1.00 0.00 H new ATOM 0 HA GLU A 42 -0.904 -6.939 14.052 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -1.697 -9.635 12.898 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.074 -9.034 13.172 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -0.939 -8.875 15.699 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -2.068 -10.095 15.143 1.00 0.00 H new ATOM 568 N ASP A 43 -2.880 -7.481 11.477 1.00 0.00 N ATOM 569 CA ASP A 43 -3.146 -7.091 10.097 1.00 0.00 C ATOM 570 C ASP A 43 -3.542 -5.620 10.015 1.00 0.00 C ATOM 571 O ASP A 43 -3.974 -5.026 11.004 1.00 0.00 O ATOM 572 CB ASP A 43 -4.251 -7.964 9.502 1.00 0.00 C ATOM 573 CG ASP A 43 -3.819 -9.407 9.328 1.00 0.00 C ATOM 574 OD1 ASP A 43 -2.988 -9.674 8.435 1.00 0.00 O ATOM 575 OD2 ASP A 43 -4.312 -10.269 10.086 1.00 0.00 O ATOM 0 H ASP A 43 -3.611 -8.050 11.903 1.00 0.00 H new ATOM 0 HA ASP A 43 -2.231 -7.235 9.522 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.128 -7.926 10.148 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -4.550 -7.558 8.535 1.00 0.00 H new ATOM 580 N LEU A 44 -3.392 -5.038 8.830 1.00 0.00 N ATOM 581 CA LEU A 44 -3.734 -3.635 8.619 1.00 0.00 C ATOM 582 C LEU A 44 -5.078 -3.503 7.910 1.00 0.00 C ATOM 583 O LEU A 44 -5.323 -4.156 6.896 1.00 0.00 O ATOM 584 CB LEU A 44 -2.643 -2.942 7.800 1.00 0.00 C ATOM 585 CG LEU A 44 -2.444 -1.451 8.073 1.00 0.00 C ATOM 586 CD1 LEU A 44 -1.806 -0.769 6.873 1.00 0.00 C ATOM 587 CD2 LEU A 44 -3.771 -0.791 8.420 1.00 0.00 C ATOM 0 H LEU A 44 -3.036 -5.515 8.001 1.00 0.00 H new ATOM 0 HA LEU A 44 -3.809 -3.154 9.594 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -1.698 -3.454 7.984 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.874 -3.070 6.742 1.00 0.00 H new ATOM 0 HG LEU A 44 -1.773 -1.344 8.925 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.672 0.292 7.086 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.836 -1.223 6.669 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -2.451 -0.886 6.002 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -3.611 0.270 8.611 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -4.465 -0.909 7.587 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -4.189 -1.261 9.310 1.00 0.00 H new ATOM 599 N SER A 45 -5.945 -2.652 8.450 1.00 0.00 N ATOM 600 CA SER A 45 -7.265 -2.435 7.871 1.00 0.00 C ATOM 601 C SER A 45 -7.204 -1.399 6.753 1.00 0.00 C ATOM 602 O SER A 45 -6.851 -0.242 6.982 1.00 0.00 O ATOM 603 CB SER A 45 -8.251 -1.982 8.949 1.00 0.00 C ATOM 604 OG SER A 45 -8.374 -2.957 9.970 1.00 0.00 O ATOM 0 H SER A 45 -5.756 -2.102 9.288 1.00 0.00 H new ATOM 0 HA SER A 45 -7.609 -3.379 7.449 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.915 -1.039 9.381 1.00 0.00 H new ATOM 0 HB3 SER A 45 -9.226 -1.797 8.499 1.00 0.00 H new ATOM 0 HG SER A 45 -9.008 -2.643 10.648 1.00 0.00 H new ATOM 610 N PHE A 46 -7.551 -1.823 5.542 1.00 0.00 N ATOM 611 CA PHE A 46 -7.535 -0.933 4.387 1.00 0.00 C ATOM 612 C PHE A 46 -8.779 -1.137 3.526 1.00 0.00 C ATOM 613 O PHE A 46 -9.464 -2.154 3.635 1.00 0.00 O ATOM 614 CB PHE A 46 -6.277 -1.172 3.550 1.00 0.00 C ATOM 615 CG PHE A 46 -6.108 -2.600 3.115 1.00 0.00 C ATOM 616 CD1 PHE A 46 -5.499 -3.524 3.949 1.00 0.00 C ATOM 617 CD2 PHE A 46 -6.560 -3.018 1.874 1.00 0.00 C ATOM 618 CE1 PHE A 46 -5.341 -4.838 3.551 1.00 0.00 C ATOM 619 CE2 PHE A 46 -6.406 -4.332 1.471 1.00 0.00 C ATOM 620 CZ PHE A 46 -5.796 -5.243 2.311 1.00 0.00 C ATOM 0 H PHE A 46 -7.847 -2.777 5.335 1.00 0.00 H new ATOM 0 HA PHE A 46 -7.531 0.094 4.751 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -6.311 -0.533 2.667 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -5.403 -0.871 4.128 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -5.144 -3.214 4.921 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -7.038 -2.310 1.214 1.00 0.00 H new ATOM 0 HE1 PHE A 46 -4.862 -5.548 4.209 1.00 0.00 H new ATOM 0 HE2 PHE A 46 -6.762 -4.645 0.501 1.00 0.00 H new ATOM 0 HZ PHE A 46 -5.675 -6.270 1.999 1.00 0.00 H new ATOM 630 N LYS A 47 -9.066 -0.161 2.671 1.00 0.00 N ATOM 631 CA LYS A 47 -10.225 -0.231 1.790 1.00 0.00 C ATOM 632 C LYS A 47 -9.836 0.090 0.351 1.00 0.00 C ATOM 633 O LYS A 47 -8.728 0.558 0.086 1.00 0.00 O ATOM 634 CB LYS A 47 -11.311 0.738 2.264 1.00 0.00 C ATOM 635 CG LYS A 47 -11.787 0.473 3.682 1.00 0.00 C ATOM 636 CD LYS A 47 -12.883 -0.580 3.714 1.00 0.00 C ATOM 637 CE LYS A 47 -13.528 -0.671 5.088 1.00 0.00 C ATOM 638 NZ LYS A 47 -14.560 0.384 5.287 1.00 0.00 N ATOM 0 H LYS A 47 -8.511 0.689 2.570 1.00 0.00 H new ATOM 0 HA LYS A 47 -10.614 -1.249 1.824 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -10.929 1.757 2.203 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -12.163 0.676 1.586 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -10.947 0.144 4.293 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -12.158 1.399 4.122 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -13.642 -0.339 2.970 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -12.466 -1.549 3.442 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -13.984 -1.653 5.211 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -12.761 -0.578 5.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -14.976 0.288 6.235 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -14.120 1.322 5.195 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -15.306 0.280 4.570 1.00 0.00 H new ATOM 652 N LYS A 48 -10.753 -0.164 -0.576 1.00 0.00 N ATOM 653 CA LYS A 48 -10.508 0.100 -1.989 1.00 0.00 C ATOM 654 C LYS A 48 -10.336 1.594 -2.241 1.00 0.00 C ATOM 655 O LYS A 48 -11.256 2.380 -2.023 1.00 0.00 O ATOM 656 CB LYS A 48 -11.660 -0.443 -2.838 1.00 0.00 C ATOM 657 CG LYS A 48 -11.597 -0.013 -4.293 1.00 0.00 C ATOM 658 CD LYS A 48 -12.547 -0.826 -5.156 1.00 0.00 C ATOM 659 CE LYS A 48 -12.521 -0.362 -6.604 1.00 0.00 C ATOM 660 NZ LYS A 48 -11.467 -1.061 -7.392 1.00 0.00 N ATOM 0 H LYS A 48 -11.674 -0.553 -0.374 1.00 0.00 H new ATOM 0 HA LYS A 48 -9.586 -0.407 -2.273 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -11.655 -1.532 -2.789 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -12.605 -0.109 -2.410 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -11.847 1.045 -4.372 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -10.578 -0.128 -4.664 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -12.274 -1.880 -5.106 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -13.560 -0.740 -4.764 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.494 -0.541 -7.060 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -12.346 0.713 -6.638 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.845 -0.358 -7.839 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.906 -1.668 -6.760 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -11.914 -1.646 -8.127 1.00 0.00 H new ATOM 674 N GLY A 49 -9.150 1.979 -2.704 1.00 0.00 N ATOM 675 CA GLY A 49 -8.880 3.378 -2.980 1.00 0.00 C ATOM 676 C GLY A 49 -8.129 4.057 -1.852 1.00 0.00 C ATOM 677 O GLY A 49 -8.192 5.277 -1.702 1.00 0.00 O ATOM 0 H GLY A 49 -8.372 1.347 -2.893 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -8.299 3.458 -3.899 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -9.822 3.900 -3.151 1.00 0.00 H new ATOM 681 N GLU A 50 -7.418 3.265 -1.056 1.00 0.00 N ATOM 682 CA GLU A 50 -6.654 3.798 0.066 1.00 0.00 C ATOM 683 C GLU A 50 -5.161 3.542 -0.122 1.00 0.00 C ATOM 684 O GLU A 50 -4.753 2.453 -0.527 1.00 0.00 O ATOM 685 CB GLU A 50 -7.128 3.171 1.379 1.00 0.00 C ATOM 686 CG GLU A 50 -6.975 4.088 2.581 1.00 0.00 C ATOM 687 CD GLU A 50 -7.511 3.469 3.858 1.00 0.00 C ATOM 688 OE1 GLU A 50 -8.573 2.816 3.801 1.00 0.00 O ATOM 689 OE2 GLU A 50 -6.867 3.639 4.914 1.00 0.00 O ATOM 0 H GLU A 50 -7.355 2.253 -1.167 1.00 0.00 H new ATOM 0 HA GLU A 50 -6.819 4.875 0.105 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -8.176 2.888 1.279 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -6.566 2.254 1.558 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -5.921 4.333 2.715 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -7.498 5.025 2.388 1.00 0.00 H new ATOM 696 N ARG A 51 -4.352 4.554 0.175 1.00 0.00 N ATOM 697 CA ARG A 51 -2.905 4.440 0.037 1.00 0.00 C ATOM 698 C ARG A 51 -2.265 4.010 1.354 1.00 0.00 C ATOM 699 O ARG A 51 -2.884 4.100 2.415 1.00 0.00 O ATOM 700 CB ARG A 51 -2.308 5.772 -0.422 1.00 0.00 C ATOM 701 CG ARG A 51 -2.836 6.244 -1.766 1.00 0.00 C ATOM 702 CD ARG A 51 -1.866 7.203 -2.440 1.00 0.00 C ATOM 703 NE ARG A 51 -2.554 8.166 -3.296 1.00 0.00 N ATOM 704 CZ ARG A 51 -2.949 7.896 -4.535 1.00 0.00 C ATOM 705 NH1 ARG A 51 -2.727 6.698 -5.060 1.00 0.00 N ATOM 706 NH2 ARG A 51 -3.570 8.824 -5.252 1.00 0.00 N ATOM 0 H ARG A 51 -4.674 5.461 0.512 1.00 0.00 H new ATOM 0 HA ARG A 51 -2.696 3.678 -0.714 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -2.519 6.533 0.329 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -1.224 5.674 -0.481 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -3.008 5.384 -2.413 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -3.799 6.736 -1.628 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -1.296 7.737 -1.679 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -1.150 6.636 -3.035 1.00 0.00 H new ATOM 0 HE ARG A 51 -2.741 9.096 -2.922 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -2.252 5.981 -4.512 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.032 6.494 -6.012 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -3.744 9.746 -4.852 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -3.873 8.615 -6.203 1.00 0.00 H new ATOM 720 N PHE A 52 -1.023 3.544 1.279 1.00 0.00 N ATOM 721 CA PHE A 52 -0.300 3.099 2.465 1.00 0.00 C ATOM 722 C PHE A 52 1.204 3.076 2.208 1.00 0.00 C ATOM 723 O PHE A 52 1.656 2.639 1.149 1.00 0.00 O ATOM 724 CB PHE A 52 -0.778 1.709 2.888 1.00 0.00 C ATOM 725 CG PHE A 52 -2.272 1.599 3.006 1.00 0.00 C ATOM 726 CD1 PHE A 52 -3.049 1.312 1.896 1.00 0.00 C ATOM 727 CD2 PHE A 52 -2.898 1.783 4.229 1.00 0.00 C ATOM 728 CE1 PHE A 52 -4.423 1.209 2.002 1.00 0.00 C ATOM 729 CE2 PHE A 52 -4.272 1.682 4.340 1.00 0.00 C ATOM 730 CZ PHE A 52 -5.035 1.396 3.225 1.00 0.00 C ATOM 0 H PHE A 52 -0.496 3.465 0.409 1.00 0.00 H new ATOM 0 HA PHE A 52 -0.503 3.805 3.270 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.424 0.976 2.164 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -0.326 1.454 3.847 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -2.575 1.167 0.936 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -2.306 2.008 5.104 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -5.017 0.982 1.129 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -4.749 1.827 5.298 1.00 0.00 H new ATOM 0 HZ PHE A 52 -6.109 1.319 3.310 1.00 0.00 H new ATOM 740 N GLN A 53 1.972 3.549 3.183 1.00 0.00 N ATOM 741 CA GLN A 53 3.425 3.584 3.062 1.00 0.00 C ATOM 742 C GLN A 53 4.033 2.229 3.411 1.00 0.00 C ATOM 743 O GLN A 53 3.986 1.795 4.562 1.00 0.00 O ATOM 744 CB GLN A 53 4.008 4.667 3.972 1.00 0.00 C ATOM 745 CG GLN A 53 3.893 6.070 3.399 1.00 0.00 C ATOM 746 CD GLN A 53 3.950 7.144 4.467 1.00 0.00 C ATOM 747 OE1 GLN A 53 3.358 7.003 5.537 1.00 0.00 O ATOM 748 NE2 GLN A 53 4.667 8.225 4.183 1.00 0.00 N ATOM 0 H GLN A 53 1.613 3.913 4.066 1.00 0.00 H new ATOM 0 HA GLN A 53 3.673 3.817 2.026 1.00 0.00 H new ATOM 0 HB2 GLN A 53 3.498 4.634 4.935 1.00 0.00 H new ATOM 0 HB3 GLN A 53 5.059 4.445 4.160 1.00 0.00 H new ATOM 0 HG2 GLN A 53 4.698 6.233 2.683 1.00 0.00 H new ATOM 0 HG3 GLN A 53 2.955 6.158 2.850 1.00 0.00 H new ATOM 0 HE21 GLN A 53 5.142 8.300 3.283 1.00 0.00 H new ATOM 0 HE22 GLN A 53 4.743 8.980 4.865 1.00 0.00 H new ATOM 757 N ILE A 54 4.602 1.567 2.409 1.00 0.00 N ATOM 758 CA ILE A 54 5.219 0.262 2.611 1.00 0.00 C ATOM 759 C ILE A 54 6.462 0.371 3.488 1.00 0.00 C ATOM 760 O ILE A 54 7.497 0.877 3.054 1.00 0.00 O ATOM 761 CB ILE A 54 5.606 -0.391 1.270 1.00 0.00 C ATOM 762 CG1 ILE A 54 4.405 -0.412 0.323 1.00 0.00 C ATOM 763 CG2 ILE A 54 6.132 -1.800 1.500 1.00 0.00 C ATOM 764 CD1 ILE A 54 3.238 -1.221 0.845 1.00 0.00 C ATOM 0 H ILE A 54 4.648 1.912 1.450 1.00 0.00 H new ATOM 0 HA ILE A 54 4.479 -0.363 3.110 1.00 0.00 H new ATOM 0 HB ILE A 54 6.397 0.200 0.809 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.076 0.612 0.144 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.718 -0.819 -0.639 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.401 -2.248 0.544 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.012 -1.760 2.142 1.00 0.00 H new ATOM 0 HG23 ILE A 54 5.360 -2.403 1.979 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.423 -1.192 0.122 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.551 -2.254 0.998 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.899 -0.801 1.792 1.00 0.00 H new ATOM 776 N ILE A 55 6.352 -0.109 4.722 1.00 0.00 N ATOM 777 CA ILE A 55 7.468 -0.068 5.659 1.00 0.00 C ATOM 778 C ILE A 55 8.418 -1.239 5.434 1.00 0.00 C ATOM 779 O ILE A 55 9.624 -1.052 5.279 1.00 0.00 O ATOM 780 CB ILE A 55 6.978 -0.091 7.119 1.00 0.00 C ATOM 781 CG1 ILE A 55 5.972 1.035 7.360 1.00 0.00 C ATOM 782 CG2 ILE A 55 8.156 0.029 8.074 1.00 0.00 C ATOM 783 CD1 ILE A 55 4.945 0.711 8.423 1.00 0.00 C ATOM 0 H ILE A 55 5.502 -0.531 5.096 1.00 0.00 H new ATOM 0 HA ILE A 55 7.999 0.867 5.477 1.00 0.00 H new ATOM 0 HB ILE A 55 6.480 -1.042 7.305 1.00 0.00 H new ATOM 0 HG12 ILE A 55 6.511 1.937 7.650 1.00 0.00 H new ATOM 0 HG13 ILE A 55 5.458 1.258 6.425 1.00 0.00 H new ATOM 0 HG21 ILE A 55 7.794 0.011 9.102 1.00 0.00 H new ATOM 0 HG22 ILE A 55 8.839 -0.805 7.915 1.00 0.00 H new ATOM 0 HG23 ILE A 55 8.680 0.967 7.890 1.00 0.00 H new ATOM 0 HD11 ILE A 55 4.265 1.554 8.541 1.00 0.00 H new ATOM 0 HD12 ILE A 55 4.380 -0.172 8.126 1.00 0.00 H new ATOM 0 HD13 ILE A 55 5.450 0.517 9.369 1.00 0.00 H new ATOM 795 N ASN A 56 7.865 -2.447 5.415 1.00 0.00 N ATOM 796 CA ASN A 56 8.663 -3.650 5.208 1.00 0.00 C ATOM 797 C ASN A 56 8.045 -4.534 4.128 1.00 0.00 C ATOM 798 O ASN A 56 6.854 -4.840 4.169 1.00 0.00 O ATOM 799 CB ASN A 56 8.789 -4.436 6.515 1.00 0.00 C ATOM 800 CG ASN A 56 10.081 -5.225 6.593 1.00 0.00 C ATOM 801 OD1 ASN A 56 10.714 -5.504 5.574 1.00 0.00 O ATOM 802 ND2 ASN A 56 10.480 -5.588 7.806 1.00 0.00 N ATOM 0 H ASN A 56 6.867 -2.619 5.540 1.00 0.00 H new ATOM 0 HA ASN A 56 9.656 -3.344 4.879 1.00 0.00 H new ATOM 0 HB2 ASN A 56 8.737 -3.746 7.357 1.00 0.00 H new ATOM 0 HB3 ASN A 56 7.944 -5.118 6.609 1.00 0.00 H new ATOM 0 HD21 ASN A 56 11.343 -6.120 7.921 1.00 0.00 H new ATOM 0 HD22 ASN A 56 9.924 -5.335 8.623 1.00 0.00 H new ATOM 809 N ASN A 57 8.863 -4.940 3.164 1.00 0.00 N ATOM 810 CA ASN A 57 8.397 -5.789 2.073 1.00 0.00 C ATOM 811 C ASN A 57 9.209 -7.079 2.002 1.00 0.00 C ATOM 812 O ASN A 57 9.600 -7.521 0.921 1.00 0.00 O ATOM 813 CB ASN A 57 8.491 -5.041 0.741 1.00 0.00 C ATOM 814 CG ASN A 57 9.919 -4.683 0.377 1.00 0.00 C ATOM 815 OD1 ASN A 57 10.633 -5.478 -0.234 1.00 0.00 O ATOM 816 ND2 ASN A 57 10.342 -3.482 0.754 1.00 0.00 N ATOM 0 H ASN A 57 9.852 -4.695 3.115 1.00 0.00 H new ATOM 0 HA ASN A 57 7.355 -6.046 2.266 1.00 0.00 H new ATOM 0 HB2 ASN A 57 8.061 -5.657 -0.049 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.894 -4.131 0.796 1.00 0.00 H new ATOM 0 HD21 ASN A 57 11.294 -3.186 0.539 1.00 0.00 H new ATOM 0 HD22 ASN A 57 9.715 -2.856 1.259 1.00 0.00 H new ATOM 823 N THR A 58 9.460 -7.678 3.162 1.00 0.00 N ATOM 824 CA THR A 58 10.225 -8.917 3.232 1.00 0.00 C ATOM 825 C THR A 58 9.330 -10.130 3.005 1.00 0.00 C ATOM 826 O THR A 58 9.683 -11.041 2.257 1.00 0.00 O ATOM 827 CB THR A 58 10.933 -9.063 4.592 1.00 0.00 C ATOM 828 OG1 THR A 58 11.720 -10.259 4.609 1.00 0.00 O ATOM 829 CG2 THR A 58 9.921 -9.100 5.728 1.00 0.00 C ATOM 0 H THR A 58 9.145 -7.325 4.066 1.00 0.00 H new ATOM 0 HA THR A 58 10.975 -8.870 2.443 1.00 0.00 H new ATOM 0 HB THR A 58 11.583 -8.199 4.733 1.00 0.00 H new ATOM 0 HG1 THR A 58 12.168 -10.344 5.477 1.00 0.00 H new ATOM 0 HG21 THR A 58 10.445 -9.204 6.678 1.00 0.00 H new ATOM 0 HG22 THR A 58 9.343 -8.176 5.731 1.00 0.00 H new ATOM 0 HG23 THR A 58 9.249 -9.947 5.590 1.00 0.00 H new ATOM 837 N GLU A 59 8.170 -10.134 3.654 1.00 0.00 N ATOM 838 CA GLU A 59 7.225 -11.236 3.522 1.00 0.00 C ATOM 839 C GLU A 59 6.278 -11.003 2.348 1.00 0.00 C ATOM 840 O GLU A 59 5.346 -10.205 2.437 1.00 0.00 O ATOM 841 CB GLU A 59 6.422 -11.407 4.813 1.00 0.00 C ATOM 842 CG GLU A 59 7.265 -11.837 6.002 1.00 0.00 C ATOM 843 CD GLU A 59 6.476 -12.644 7.015 1.00 0.00 C ATOM 844 OE1 GLU A 59 5.331 -12.254 7.323 1.00 0.00 O ATOM 845 OE2 GLU A 59 7.005 -13.667 7.499 1.00 0.00 O ATOM 0 H GLU A 59 7.862 -9.387 4.276 1.00 0.00 H new ATOM 0 HA GLU A 59 7.793 -12.147 3.333 1.00 0.00 H new ATOM 0 HB2 GLU A 59 5.927 -10.465 5.051 1.00 0.00 H new ATOM 0 HB3 GLU A 59 5.638 -12.146 4.648 1.00 0.00 H new ATOM 0 HG2 GLU A 59 8.109 -12.430 5.649 1.00 0.00 H new ATOM 0 HG3 GLU A 59 7.677 -10.953 6.489 1.00 0.00 H new ATOM 852 N GLY A 60 6.525 -11.707 1.247 1.00 0.00 N ATOM 853 CA GLY A 60 5.688 -11.562 0.071 1.00 0.00 C ATOM 854 C GLY A 60 4.217 -11.759 0.379 1.00 0.00 C ATOM 855 O GLY A 60 3.361 -11.071 -0.178 1.00 0.00 O ATOM 0 H GLY A 60 7.290 -12.375 1.149 1.00 0.00 H new ATOM 0 HA2 GLY A 60 5.837 -10.571 -0.357 1.00 0.00 H new ATOM 0 HA3 GLY A 60 5.998 -12.285 -0.683 1.00 0.00 H new ATOM 859 N ASP A 61 3.921 -12.702 1.268 1.00 0.00 N ATOM 860 CA ASP A 61 2.543 -12.988 1.649 1.00 0.00 C ATOM 861 C ASP A 61 1.849 -11.731 2.163 1.00 0.00 C ATOM 862 O ASP A 61 0.764 -11.376 1.701 1.00 0.00 O ATOM 863 CB ASP A 61 2.503 -14.081 2.718 1.00 0.00 C ATOM 864 CG ASP A 61 3.343 -15.287 2.345 1.00 0.00 C ATOM 865 OD1 ASP A 61 4.511 -15.096 1.948 1.00 0.00 O ATOM 866 OD2 ASP A 61 2.831 -16.421 2.449 1.00 0.00 O ATOM 0 H ASP A 61 4.617 -13.281 1.738 1.00 0.00 H new ATOM 0 HA ASP A 61 2.013 -13.338 0.763 1.00 0.00 H new ATOM 0 HB2 ASP A 61 2.859 -13.673 3.664 1.00 0.00 H new ATOM 0 HB3 ASP A 61 1.471 -14.395 2.874 1.00 0.00 H new ATOM 871 N TRP A 62 2.481 -11.062 3.121 1.00 0.00 N ATOM 872 CA TRP A 62 1.923 -9.845 3.698 1.00 0.00 C ATOM 873 C TRP A 62 3.011 -8.801 3.923 1.00 0.00 C ATOM 874 O TRP A 62 4.098 -9.118 4.406 1.00 0.00 O ATOM 875 CB TRP A 62 1.220 -10.158 5.020 1.00 0.00 C ATOM 876 CG TRP A 62 0.119 -11.166 4.883 1.00 0.00 C ATOM 877 CD1 TRP A 62 0.257 -12.502 4.636 1.00 0.00 C ATOM 878 CD2 TRP A 62 -1.288 -10.917 4.982 1.00 0.00 C ATOM 879 NE1 TRP A 62 -0.979 -13.099 4.576 1.00 0.00 N ATOM 880 CE2 TRP A 62 -1.943 -12.148 4.786 1.00 0.00 C ATOM 881 CE3 TRP A 62 -2.057 -9.775 5.220 1.00 0.00 C ATOM 882 CZ2 TRP A 62 -3.330 -12.266 4.819 1.00 0.00 C ATOM 883 CZ3 TRP A 62 -3.433 -9.894 5.252 1.00 0.00 C ATOM 884 CH2 TRP A 62 -4.058 -11.132 5.054 1.00 0.00 C ATOM 0 H TRP A 62 3.380 -11.342 3.514 1.00 0.00 H new ATOM 0 HA TRP A 62 1.196 -9.440 2.994 1.00 0.00 H new ATOM 0 HB2 TRP A 62 1.955 -10.528 5.735 1.00 0.00 H new ATOM 0 HB3 TRP A 62 0.810 -9.236 5.432 1.00 0.00 H new ATOM 0 HD1 TRP A 62 1.199 -13.014 4.507 1.00 0.00 H new ATOM 0 HE1 TRP A 62 -1.151 -14.089 4.403 1.00 0.00 H new ATOM 0 HE3 TRP A 62 -1.584 -8.817 5.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 62 -3.814 -13.219 4.665 1.00 0.00 H new ATOM 0 HZ3 TRP A 62 -4.037 -9.017 5.433 1.00 0.00 H new ATOM 0 HH2 TRP A 62 -5.136 -11.192 5.088 1.00 0.00 H new ATOM 895 N TRP A 63 2.713 -7.556 3.568 1.00 0.00 N ATOM 896 CA TRP A 63 3.667 -6.465 3.732 1.00 0.00 C ATOM 897 C TRP A 63 3.219 -5.509 4.832 1.00 0.00 C ATOM 898 O TRP A 63 2.024 -5.272 5.010 1.00 0.00 O ATOM 899 CB TRP A 63 3.834 -5.705 2.415 1.00 0.00 C ATOM 900 CG TRP A 63 4.490 -6.516 1.340 1.00 0.00 C ATOM 901 CD1 TRP A 63 5.341 -7.570 1.512 1.00 0.00 C ATOM 902 CD2 TRP A 63 4.350 -6.338 -0.074 1.00 0.00 C ATOM 903 NE1 TRP A 63 5.739 -8.058 0.291 1.00 0.00 N ATOM 904 CE2 TRP A 63 5.144 -7.320 -0.698 1.00 0.00 C ATOM 905 CE3 TRP A 63 3.630 -5.446 -0.873 1.00 0.00 C ATOM 906 CZ2 TRP A 63 5.237 -7.432 -2.083 1.00 0.00 C ATOM 907 CZ3 TRP A 63 3.724 -5.559 -2.248 1.00 0.00 C ATOM 908 CH2 TRP A 63 4.521 -6.546 -2.841 1.00 0.00 C ATOM 0 H TRP A 63 1.819 -7.277 3.165 1.00 0.00 H new ATOM 0 HA TRP A 63 4.626 -6.895 4.020 1.00 0.00 H new ATOM 0 HB2 TRP A 63 2.855 -5.377 2.066 1.00 0.00 H new ATOM 0 HB3 TRP A 63 4.425 -4.807 2.595 1.00 0.00 H new ATOM 0 HD1 TRP A 63 5.655 -7.962 2.468 1.00 0.00 H new ATOM 0 HE1 TRP A 63 6.374 -8.842 0.145 1.00 0.00 H new ATOM 0 HE3 TRP A 63 3.011 -4.682 -0.425 1.00 0.00 H new ATOM 0 HZ2 TRP A 63 5.852 -8.191 -2.542 1.00 0.00 H new ATOM 0 HZ3 TRP A 63 3.173 -4.874 -2.876 1.00 0.00 H new ATOM 0 HH2 TRP A 63 4.572 -6.609 -3.918 1.00 0.00 H new ATOM 919 N GLU A 64 4.183 -4.964 5.566 1.00 0.00 N ATOM 920 CA GLU A 64 3.885 -4.035 6.649 1.00 0.00 C ATOM 921 C GLU A 64 3.882 -2.594 6.145 1.00 0.00 C ATOM 922 O GLU A 64 4.907 -2.079 5.700 1.00 0.00 O ATOM 923 CB GLU A 64 4.906 -4.189 7.779 1.00 0.00 C ATOM 924 CG GLU A 64 4.573 -3.370 9.015 1.00 0.00 C ATOM 925 CD GLU A 64 5.347 -3.822 10.239 1.00 0.00 C ATOM 926 OE1 GLU A 64 6.579 -3.994 10.133 1.00 0.00 O ATOM 927 OE2 GLU A 64 4.719 -4.003 11.303 1.00 0.00 O ATOM 0 H GLU A 64 5.177 -5.150 5.431 1.00 0.00 H new ATOM 0 HA GLU A 64 2.892 -4.270 7.032 1.00 0.00 H new ATOM 0 HB2 GLU A 64 4.972 -5.241 8.057 1.00 0.00 H new ATOM 0 HB3 GLU A 64 5.889 -3.894 7.412 1.00 0.00 H new ATOM 0 HG2 GLU A 64 4.790 -2.320 8.820 1.00 0.00 H new ATOM 0 HG3 GLU A 64 3.505 -3.443 9.218 1.00 0.00 H new ATOM 934 N ALA A 65 2.721 -1.951 6.217 1.00 0.00 N ATOM 935 CA ALA A 65 2.584 -0.571 5.769 1.00 0.00 C ATOM 936 C ALA A 65 1.883 0.281 6.822 1.00 0.00 C ATOM 937 O ALA A 65 1.221 -0.244 7.718 1.00 0.00 O ATOM 938 CB ALA A 65 1.825 -0.516 4.452 1.00 0.00 C ATOM 0 H ALA A 65 1.862 -2.364 6.581 1.00 0.00 H new ATOM 0 HA ALA A 65 3.584 -0.164 5.616 1.00 0.00 H new ATOM 0 HB1 ALA A 65 1.730 0.521 4.130 1.00 0.00 H new ATOM 0 HB2 ALA A 65 2.367 -1.083 3.696 1.00 0.00 H new ATOM 0 HB3 ALA A 65 0.833 -0.946 4.586 1.00 0.00 H new ATOM 944 N ARG A 66 2.032 1.596 6.708 1.00 0.00 N ATOM 945 CA ARG A 66 1.414 2.520 7.652 1.00 0.00 C ATOM 946 C ARG A 66 0.518 3.519 6.927 1.00 0.00 C ATOM 947 O ARG A 66 1.001 4.468 6.309 1.00 0.00 O ATOM 948 CB ARG A 66 2.488 3.265 8.446 1.00 0.00 C ATOM 949 CG ARG A 66 1.927 4.305 9.402 1.00 0.00 C ATOM 950 CD ARG A 66 2.990 5.310 9.818 1.00 0.00 C ATOM 951 NE ARG A 66 3.560 6.010 8.670 1.00 0.00 N ATOM 952 CZ ARG A 66 4.717 6.661 8.707 1.00 0.00 C ATOM 953 NH1 ARG A 66 5.424 6.701 9.829 1.00 0.00 N ATOM 954 NH2 ARG A 66 5.171 7.274 7.621 1.00 0.00 N ATOM 0 H ARG A 66 2.575 2.046 5.971 1.00 0.00 H new ATOM 0 HA ARG A 66 0.800 1.940 8.340 1.00 0.00 H new ATOM 0 HB2 ARG A 66 3.076 2.543 9.012 1.00 0.00 H new ATOM 0 HB3 ARG A 66 3.169 3.754 7.750 1.00 0.00 H new ATOM 0 HG2 ARG A 66 1.097 4.828 8.927 1.00 0.00 H new ATOM 0 HG3 ARG A 66 1.527 3.809 10.287 1.00 0.00 H new ATOM 0 HD2 ARG A 66 2.554 6.035 10.505 1.00 0.00 H new ATOM 0 HD3 ARG A 66 3.784 4.795 10.359 1.00 0.00 H new ATOM 0 HE ARG A 66 3.041 5.998 7.792 1.00 0.00 H new ATOM 0 HH11 ARG A 66 5.079 6.231 10.666 1.00 0.00 H new ATOM 0 HH12 ARG A 66 6.312 7.202 9.854 1.00 0.00 H new ATOM 0 HH21 ARG A 66 4.631 7.246 6.756 1.00 0.00 H new ATOM 0 HH22 ARG A 66 6.060 7.774 7.651 1.00 0.00 H new ATOM 968 N SER A 67 -0.791 3.299 7.006 1.00 0.00 N ATOM 969 CA SER A 67 -1.755 4.177 6.354 1.00 0.00 C ATOM 970 C SER A 67 -1.342 5.639 6.498 1.00 0.00 C ATOM 971 O SER A 67 -0.841 6.053 7.544 1.00 0.00 O ATOM 972 CB SER A 67 -3.150 3.968 6.947 1.00 0.00 C ATOM 973 OG SER A 67 -3.467 2.590 7.032 1.00 0.00 O ATOM 0 H SER A 67 -1.208 2.520 7.515 1.00 0.00 H new ATOM 0 HA SER A 67 -1.778 3.927 5.293 1.00 0.00 H new ATOM 0 HB2 SER A 67 -3.198 4.417 7.939 1.00 0.00 H new ATOM 0 HB3 SER A 67 -3.891 4.477 6.330 1.00 0.00 H new ATOM 0 HG SER A 67 -3.404 2.184 6.142 1.00 0.00 H new ATOM 979 N ILE A 68 -1.557 6.414 5.441 1.00 0.00 N ATOM 980 CA ILE A 68 -1.209 7.830 5.449 1.00 0.00 C ATOM 981 C ILE A 68 -2.399 8.686 5.867 1.00 0.00 C ATOM 982 O ILE A 68 -2.279 9.552 6.734 1.00 0.00 O ATOM 983 CB ILE A 68 -0.716 8.296 4.066 1.00 0.00 C ATOM 984 CG1 ILE A 68 0.333 7.325 3.520 1.00 0.00 C ATOM 985 CG2 ILE A 68 -0.146 9.704 4.155 1.00 0.00 C ATOM 986 CD1 ILE A 68 0.678 7.563 2.067 1.00 0.00 C ATOM 0 H ILE A 68 -1.970 6.086 4.568 1.00 0.00 H new ATOM 0 HA ILE A 68 -0.404 7.953 6.173 1.00 0.00 H new ATOM 0 HB ILE A 68 -1.563 8.309 3.380 1.00 0.00 H new ATOM 0 HG12 ILE A 68 1.240 7.408 4.119 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -0.033 6.305 3.636 1.00 0.00 H new ATOM 0 HG21 ILE A 68 0.198 10.020 3.170 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -0.919 10.388 4.506 1.00 0.00 H new ATOM 0 HG23 ILE A 68 0.691 9.714 4.853 1.00 0.00 H new ATOM 0 HD11 ILE A 68 1.427 6.839 1.748 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -0.218 7.451 1.457 1.00 0.00 H new ATOM 0 HD13 ILE A 68 1.074 8.571 1.948 1.00 0.00 H new ATOM 998 N ALA A 69 -3.548 8.437 5.247 1.00 0.00 N ATOM 999 CA ALA A 69 -4.761 9.182 5.558 1.00 0.00 C ATOM 1000 C ALA A 69 -5.137 9.031 7.028 1.00 0.00 C ATOM 1001 O ALA A 69 -5.173 10.009 7.775 1.00 0.00 O ATOM 1002 CB ALA A 69 -5.906 8.722 4.668 1.00 0.00 C ATOM 0 H ALA A 69 -3.664 7.725 4.526 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.568 10.238 5.366 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -6.806 9.287 4.911 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -5.644 8.889 3.623 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -6.089 7.660 4.831 1.00 0.00 H new ATOM 1008 N THR A 70 -5.419 7.798 7.438 1.00 0.00 N ATOM 1009 CA THR A 70 -5.794 7.518 8.818 1.00 0.00 C ATOM 1010 C THR A 70 -4.574 7.526 9.732 1.00 0.00 C ATOM 1011 O THR A 70 -4.512 8.290 10.694 1.00 0.00 O ATOM 1012 CB THR A 70 -6.506 6.158 8.942 1.00 0.00 C ATOM 1013 OG1 THR A 70 -5.615 5.103 8.565 1.00 0.00 O ATOM 1014 CG2 THR A 70 -7.749 6.116 8.067 1.00 0.00 C ATOM 0 H THR A 70 -5.395 6.977 6.833 1.00 0.00 H new ATOM 0 HA THR A 70 -6.480 8.308 9.125 1.00 0.00 H new ATOM 0 HB THR A 70 -6.808 6.024 9.981 1.00 0.00 H new ATOM 0 HG1 THR A 70 -6.105 4.431 8.046 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.235 5.146 8.171 1.00 0.00 H new ATOM 0 HG22 THR A 70 -8.438 6.902 8.376 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.466 6.270 7.026 1.00 0.00 H new ATOM 1022 N GLY A 71 -3.604 6.670 9.425 1.00 0.00 N ATOM 1023 CA GLY A 71 -2.398 6.595 10.229 1.00 0.00 C ATOM 1024 C GLY A 71 -2.234 5.248 10.904 1.00 0.00 C ATOM 1025 O GLY A 71 -1.398 5.088 11.793 1.00 0.00 O ATOM 0 H GLY A 71 -3.632 6.027 8.634 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -1.531 6.789 9.597 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -2.421 7.378 10.987 1.00 0.00 H new ATOM 1029 N LYS A 72 -3.036 4.276 10.483 1.00 0.00 N ATOM 1030 CA LYS A 72 -2.977 2.935 11.052 1.00 0.00 C ATOM 1031 C LYS A 72 -1.702 2.216 10.621 1.00 0.00 C ATOM 1032 O LYS A 72 -0.921 2.740 9.827 1.00 0.00 O ATOM 1033 CB LYS A 72 -4.202 2.123 10.626 1.00 0.00 C ATOM 1034 CG LYS A 72 -5.513 2.678 11.153 1.00 0.00 C ATOM 1035 CD LYS A 72 -6.678 1.755 10.836 1.00 0.00 C ATOM 1036 CE LYS A 72 -7.312 2.098 9.497 1.00 0.00 C ATOM 1037 NZ LYS A 72 -8.647 1.458 9.335 1.00 0.00 N ATOM 0 H LYS A 72 -3.735 4.392 9.749 1.00 0.00 H new ATOM 0 HA LYS A 72 -2.971 3.029 12.138 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -4.244 2.088 9.537 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -4.086 1.097 10.974 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -5.442 2.818 12.232 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -5.696 3.659 10.715 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -6.331 0.722 10.822 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -7.427 1.829 11.624 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -7.415 3.180 9.410 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -6.654 1.775 8.690 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -8.677 0.940 8.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -8.812 0.796 10.120 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -9.386 2.190 9.338 1.00 0.00 H new ATOM 1051 N SER A 73 -1.499 1.013 11.148 1.00 0.00 N ATOM 1052 CA SER A 73 -0.318 0.223 10.820 1.00 0.00 C ATOM 1053 C SER A 73 -0.576 -1.263 11.052 1.00 0.00 C ATOM 1054 O SER A 73 -1.226 -1.647 12.023 1.00 0.00 O ATOM 1055 CB SER A 73 0.877 0.682 11.657 1.00 0.00 C ATOM 1056 OG SER A 73 0.549 0.721 13.035 1.00 0.00 O ATOM 0 H SER A 73 -2.138 0.564 11.804 1.00 0.00 H new ATOM 0 HA SER A 73 -0.092 0.374 9.764 1.00 0.00 H new ATOM 0 HB2 SER A 73 1.717 0.006 11.499 1.00 0.00 H new ATOM 0 HB3 SER A 73 1.197 1.671 11.328 1.00 0.00 H new ATOM 0 HG SER A 73 1.330 1.016 13.549 1.00 0.00 H new ATOM 1062 N GLY A 74 -0.061 -2.094 10.151 1.00 0.00 N ATOM 1063 CA GLY A 74 -0.246 -3.528 10.274 1.00 0.00 C ATOM 1064 C GLY A 74 0.334 -4.290 9.099 1.00 0.00 C ATOM 1065 O GLY A 74 1.420 -3.969 8.617 1.00 0.00 O ATOM 0 H GLY A 74 0.481 -1.800 9.338 1.00 0.00 H new ATOM 0 HA2 GLY A 74 0.223 -3.874 11.195 1.00 0.00 H new ATOM 0 HA3 GLY A 74 -1.310 -3.748 10.356 1.00 0.00 H new ATOM 1069 N TYR A 75 -0.391 -5.303 8.637 1.00 0.00 N ATOM 1070 CA TYR A 75 0.059 -6.116 7.514 1.00 0.00 C ATOM 1071 C TYR A 75 -1.027 -6.222 6.448 1.00 0.00 C ATOM 1072 O TYR A 75 -2.172 -6.563 6.744 1.00 0.00 O ATOM 1073 CB TYR A 75 0.456 -7.513 7.995 1.00 0.00 C ATOM 1074 CG TYR A 75 1.529 -7.505 9.059 1.00 0.00 C ATOM 1075 CD1 TYR A 75 2.616 -6.643 8.971 1.00 0.00 C ATOM 1076 CD2 TYR A 75 1.459 -8.360 10.152 1.00 0.00 C ATOM 1077 CE1 TYR A 75 3.600 -6.632 9.941 1.00 0.00 C ATOM 1078 CE2 TYR A 75 2.437 -8.355 11.127 1.00 0.00 C ATOM 1079 CZ TYR A 75 3.506 -7.490 11.017 1.00 0.00 C ATOM 1080 OH TYR A 75 4.483 -7.483 11.985 1.00 0.00 O ATOM 0 H TYR A 75 -1.293 -5.580 9.023 1.00 0.00 H new ATOM 0 HA TYR A 75 0.929 -5.630 7.073 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -0.427 -8.018 8.386 1.00 0.00 H new ATOM 0 HB3 TYR A 75 0.806 -8.096 7.143 1.00 0.00 H new ATOM 0 HD1 TYR A 75 2.693 -5.970 8.130 1.00 0.00 H new ATOM 0 HD2 TYR A 75 0.625 -9.040 10.241 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.438 -5.956 9.857 1.00 0.00 H new ATOM 0 HE2 TYR A 75 2.365 -9.025 11.971 1.00 0.00 H new ATOM 0 HH TYR A 75 4.266 -8.146 12.674 1.00 0.00 H new ATOM 1090 N ILE A 76 -0.658 -5.928 5.205 1.00 0.00 N ATOM 1091 CA ILE A 76 -1.599 -5.992 4.094 1.00 0.00 C ATOM 1092 C ILE A 76 -1.102 -6.937 3.006 1.00 0.00 C ATOM 1093 O ILE A 76 0.089 -6.998 2.698 1.00 0.00 O ATOM 1094 CB ILE A 76 -1.839 -4.600 3.479 1.00 0.00 C ATOM 1095 CG1 ILE A 76 -0.512 -3.977 3.040 1.00 0.00 C ATOM 1096 CG2 ILE A 76 -2.551 -3.697 4.474 1.00 0.00 C ATOM 1097 CD1 ILE A 76 -0.673 -2.653 2.327 1.00 0.00 C ATOM 0 H ILE A 76 0.286 -5.643 4.943 1.00 0.00 H new ATOM 0 HA ILE A 76 -2.539 -6.369 4.498 1.00 0.00 H new ATOM 0 HB ILE A 76 -2.475 -4.712 2.601 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.120 -3.834 3.916 1.00 0.00 H new ATOM 0 HG13 ILE A 76 0.007 -4.674 2.382 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -2.713 -2.717 4.025 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -3.512 -4.137 4.742 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -1.939 -3.589 5.370 1.00 0.00 H new ATOM 0 HD11 ILE A 76 0.308 -2.270 2.045 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -1.279 -2.793 1.432 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -1.164 -1.940 2.990 1.00 0.00 H new ATOM 1109 N PRO A 77 -2.034 -7.693 2.408 1.00 0.00 N ATOM 1110 CA PRO A 77 -1.715 -8.648 1.343 1.00 0.00 C ATOM 1111 C PRO A 77 -1.305 -7.956 0.047 1.00 0.00 C ATOM 1112 O PRO A 77 -2.067 -7.171 -0.517 1.00 0.00 O ATOM 1113 CB PRO A 77 -3.027 -9.413 1.148 1.00 0.00 C ATOM 1114 CG PRO A 77 -4.086 -8.473 1.609 1.00 0.00 C ATOM 1115 CD PRO A 77 -3.472 -7.673 2.725 1.00 0.00 C ATOM 0 HA PRO A 77 -0.869 -9.284 1.606 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -3.172 -9.691 0.104 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -3.037 -10.336 1.728 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -4.412 -7.823 0.797 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -4.966 -9.016 1.956 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -3.863 -6.656 2.753 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -3.675 -8.119 3.698 1.00 0.00 H new ATOM 1123 N SER A 78 -0.096 -8.253 -0.419 1.00 0.00 N ATOM 1124 CA SER A 78 0.417 -7.657 -1.647 1.00 0.00 C ATOM 1125 C SER A 78 -0.380 -8.133 -2.857 1.00 0.00 C ATOM 1126 O SER A 78 -0.150 -7.687 -3.980 1.00 0.00 O ATOM 1127 CB SER A 78 1.896 -8.003 -1.828 1.00 0.00 C ATOM 1128 OG SER A 78 2.067 -9.381 -2.109 1.00 0.00 O ATOM 0 H SER A 78 0.546 -8.902 0.035 1.00 0.00 H new ATOM 0 HA SER A 78 0.311 -6.575 -1.567 1.00 0.00 H new ATOM 0 HB2 SER A 78 2.315 -7.408 -2.640 1.00 0.00 H new ATOM 0 HB3 SER A 78 2.447 -7.742 -0.924 1.00 0.00 H new ATOM 0 HG SER A 78 2.523 -9.814 -1.357 1.00 0.00 H new ATOM 1134 N ASN A 79 -1.318 -9.044 -2.618 1.00 0.00 N ATOM 1135 CA ASN A 79 -2.150 -9.583 -3.688 1.00 0.00 C ATOM 1136 C ASN A 79 -3.394 -8.724 -3.896 1.00 0.00 C ATOM 1137 O ASN A 79 -4.169 -8.950 -4.825 1.00 0.00 O ATOM 1138 CB ASN A 79 -2.559 -11.023 -3.369 1.00 0.00 C ATOM 1139 CG ASN A 79 -1.554 -12.036 -3.881 1.00 0.00 C ATOM 1140 OD1 ASN A 79 -0.944 -11.845 -4.934 1.00 0.00 O ATOM 1141 ND2 ASN A 79 -1.377 -13.122 -3.138 1.00 0.00 N ATOM 0 H ASN A 79 -1.521 -9.424 -1.694 1.00 0.00 H new ATOM 0 HA ASN A 79 -1.565 -9.573 -4.608 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -2.668 -11.136 -2.290 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.534 -11.227 -3.811 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.714 -13.839 -3.433 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -1.904 -13.239 -2.272 1.00 0.00 H new ATOM 1148 N TYR A 80 -3.577 -7.738 -3.024 1.00 0.00 N ATOM 1149 CA TYR A 80 -4.727 -6.846 -3.111 1.00 0.00 C ATOM 1150 C TYR A 80 -4.287 -5.419 -3.422 1.00 0.00 C ATOM 1151 O TYR A 80 -4.976 -4.685 -4.131 1.00 0.00 O ATOM 1152 CB TYR A 80 -5.520 -6.874 -1.803 1.00 0.00 C ATOM 1153 CG TYR A 80 -6.609 -7.922 -1.777 1.00 0.00 C ATOM 1154 CD1 TYR A 80 -6.396 -9.187 -2.310 1.00 0.00 C ATOM 1155 CD2 TYR A 80 -7.851 -7.647 -1.218 1.00 0.00 C ATOM 1156 CE1 TYR A 80 -7.389 -10.147 -2.289 1.00 0.00 C ATOM 1157 CE2 TYR A 80 -8.849 -8.602 -1.191 1.00 0.00 C ATOM 1158 CZ TYR A 80 -8.614 -9.850 -1.728 1.00 0.00 C ATOM 1159 OH TYR A 80 -9.605 -10.805 -1.704 1.00 0.00 O ATOM 0 H TYR A 80 -2.944 -7.537 -2.250 1.00 0.00 H new ATOM 0 HA TYR A 80 -5.365 -7.195 -3.923 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -4.834 -7.055 -0.976 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -5.967 -5.894 -1.638 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -5.438 -9.424 -2.748 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -8.039 -6.670 -0.798 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -7.207 -11.125 -2.710 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -9.808 -8.372 -0.751 1.00 0.00 H new ATOM 0 HH TYR A 80 -10.404 -10.436 -1.274 1.00 0.00 H new ATOM 1169 N VAL A 81 -3.134 -5.032 -2.886 1.00 0.00 N ATOM 1170 CA VAL A 81 -2.599 -3.694 -3.107 1.00 0.00 C ATOM 1171 C VAL A 81 -1.483 -3.712 -4.146 1.00 0.00 C ATOM 1172 O VAL A 81 -0.638 -4.607 -4.150 1.00 0.00 O ATOM 1173 CB VAL A 81 -2.058 -3.083 -1.800 1.00 0.00 C ATOM 1174 CG1 VAL A 81 -3.175 -2.934 -0.778 1.00 0.00 C ATOM 1175 CG2 VAL A 81 -0.925 -3.932 -1.244 1.00 0.00 C ATOM 0 H VAL A 81 -2.552 -5.626 -2.295 1.00 0.00 H new ATOM 0 HA VAL A 81 -3.422 -3.081 -3.473 1.00 0.00 H new ATOM 0 HB VAL A 81 -1.664 -2.091 -2.019 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.774 -2.501 0.139 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.950 -2.281 -1.179 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -3.602 -3.913 -0.560 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -0.555 -3.486 -0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -1.291 -4.938 -1.039 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -0.116 -3.981 -1.973 1.00 0.00 H new ATOM 1185 N VAL A 82 -1.486 -2.717 -5.027 1.00 0.00 N ATOM 1186 CA VAL A 82 -0.474 -2.617 -6.071 1.00 0.00 C ATOM 1187 C VAL A 82 0.166 -1.233 -6.086 1.00 0.00 C ATOM 1188 O VAL A 82 -0.439 -0.238 -5.687 1.00 0.00 O ATOM 1189 CB VAL A 82 -1.070 -2.910 -7.461 1.00 0.00 C ATOM 1190 CG1 VAL A 82 -2.102 -4.024 -7.375 1.00 0.00 C ATOM 1191 CG2 VAL A 82 -1.680 -1.650 -8.055 1.00 0.00 C ATOM 0 H VAL A 82 -2.179 -1.968 -5.038 1.00 0.00 H new ATOM 0 HA VAL A 82 0.287 -3.364 -5.846 1.00 0.00 H new ATOM 0 HB VAL A 82 -0.267 -3.242 -8.119 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -2.512 -4.217 -8.366 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.629 -4.930 -6.995 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.905 -3.725 -6.702 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -2.096 -1.875 -9.037 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -2.471 -1.285 -7.400 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -0.910 -0.885 -8.154 1.00 0.00 H new ATOM 1201 N PRO A 83 1.420 -1.166 -6.558 1.00 0.00 N ATOM 1202 CA PRO A 83 2.169 0.092 -6.637 1.00 0.00 C ATOM 1203 C PRO A 83 1.613 1.031 -7.702 1.00 0.00 C ATOM 1204 O PRO A 83 1.359 0.620 -8.834 1.00 0.00 O ATOM 1205 CB PRO A 83 3.583 -0.361 -7.009 1.00 0.00 C ATOM 1206 CG PRO A 83 3.393 -1.666 -7.702 1.00 0.00 C ATOM 1207 CD PRO A 83 2.202 -2.312 -7.050 1.00 0.00 C ATOM 0 HA PRO A 83 2.118 0.656 -5.706 1.00 0.00 H new ATOM 0 HB2 PRO A 83 4.073 0.364 -7.658 1.00 0.00 H new ATOM 0 HB3 PRO A 83 4.209 -0.470 -6.124 1.00 0.00 H new ATOM 0 HG2 PRO A 83 3.223 -1.520 -8.769 1.00 0.00 H new ATOM 0 HG3 PRO A 83 4.279 -2.293 -7.604 1.00 0.00 H new ATOM 0 HD2 PRO A 83 1.632 -2.913 -7.759 1.00 0.00 H new ATOM 0 HD3 PRO A 83 2.499 -2.975 -6.237 1.00 0.00 H new ATOM 1215 N ALA A 84 1.428 2.294 -7.332 1.00 0.00 N ATOM 1216 CA ALA A 84 0.905 3.292 -8.256 1.00 0.00 C ATOM 1217 C ALA A 84 1.837 3.478 -9.449 1.00 0.00 C ATOM 1218 O ALA A 84 1.506 4.180 -10.404 1.00 0.00 O ATOM 1219 CB ALA A 84 0.692 4.616 -7.538 1.00 0.00 C ATOM 0 H ALA A 84 1.633 2.650 -6.398 1.00 0.00 H new ATOM 0 HA ALA A 84 -0.055 2.936 -8.631 1.00 0.00 H new ATOM 0 HB1 ALA A 84 0.301 5.352 -8.240 1.00 0.00 H new ATOM 0 HB2 ALA A 84 -0.019 4.478 -6.724 1.00 0.00 H new ATOM 0 HB3 ALA A 84 1.641 4.968 -7.135 1.00 0.00 H new ATOM 1225 N ASP A 85 3.004 2.846 -9.385 1.00 0.00 N ATOM 1226 CA ASP A 85 3.984 2.942 -10.460 1.00 0.00 C ATOM 1227 C ASP A 85 3.838 1.777 -11.435 1.00 0.00 C ATOM 1228 O ASP A 85 3.916 1.957 -12.650 1.00 0.00 O ATOM 1229 CB ASP A 85 5.402 2.968 -9.886 1.00 0.00 C ATOM 1230 CG ASP A 85 5.493 3.777 -8.607 1.00 0.00 C ATOM 1231 OD1 ASP A 85 4.849 4.844 -8.532 1.00 0.00 O ATOM 1232 OD2 ASP A 85 6.209 3.342 -7.681 1.00 0.00 O ATOM 0 H ASP A 85 3.294 2.262 -8.600 1.00 0.00 H new ATOM 0 HA ASP A 85 3.802 3.870 -11.001 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.731 1.947 -9.691 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.083 3.387 -10.627 1.00 0.00 H new ATOM 1237 N SER A 86 3.627 0.582 -10.893 1.00 0.00 N ATOM 1238 CA SER A 86 3.474 -0.614 -11.714 1.00 0.00 C ATOM 1239 C SER A 86 2.032 -1.111 -11.687 1.00 0.00 C ATOM 1240 O SER A 86 1.774 -2.306 -11.831 1.00 0.00 O ATOM 1241 CB SER A 86 4.415 -1.717 -11.225 1.00 0.00 C ATOM 1242 OG SER A 86 5.660 -1.661 -11.899 1.00 0.00 O ATOM 0 H SER A 86 3.558 0.416 -9.889 1.00 0.00 H new ATOM 0 HA SER A 86 3.731 -0.355 -12.741 1.00 0.00 H new ATOM 0 HB2 SER A 86 4.574 -1.614 -10.152 1.00 0.00 H new ATOM 0 HB3 SER A 86 3.954 -2.691 -11.387 1.00 0.00 H new ATOM 0 HG SER A 86 6.244 -2.375 -11.567 1.00 0.00 H new ATOM 1248 N ILE A 87 1.097 -0.185 -11.503 1.00 0.00 N ATOM 1249 CA ILE A 87 -0.319 -0.528 -11.459 1.00 0.00 C ATOM 1250 C ILE A 87 -0.667 -1.564 -12.523 1.00 0.00 C ATOM 1251 O ILE A 87 -0.780 -1.239 -13.705 1.00 0.00 O ATOM 1252 CB ILE A 87 -1.206 0.715 -11.660 1.00 0.00 C ATOM 1253 CG1 ILE A 87 -0.523 1.955 -11.078 1.00 0.00 C ATOM 1254 CG2 ILE A 87 -2.568 0.503 -11.016 1.00 0.00 C ATOM 1255 CD1 ILE A 87 -1.480 3.086 -10.776 1.00 0.00 C ATOM 0 H ILE A 87 1.295 0.808 -11.382 1.00 0.00 H new ATOM 0 HA ILE A 87 -0.512 -0.946 -10.471 1.00 0.00 H new ATOM 0 HB ILE A 87 -1.351 0.871 -12.729 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -0.002 1.677 -10.162 1.00 0.00 H new ATOM 0 HG13 ILE A 87 0.233 2.307 -11.780 1.00 0.00 H new ATOM 0 HG21 ILE A 87 -3.184 1.390 -11.166 1.00 0.00 H new ATOM 0 HG22 ILE A 87 -3.056 -0.359 -11.472 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -2.442 0.326 -9.948 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -0.927 3.931 -10.367 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -1.983 3.392 -11.693 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -2.221 2.752 -10.050 1.00 0.00 H new ATOM 1267 N GLN A 88 -0.837 -2.810 -12.094 1.00 0.00 N ATOM 1268 CA GLN A 88 -1.173 -3.893 -13.010 1.00 0.00 C ATOM 1269 C GLN A 88 -2.650 -3.846 -13.389 1.00 0.00 C ATOM 1270 O GLN A 88 -3.070 -4.467 -14.365 1.00 0.00 O ATOM 1271 CB GLN A 88 -0.840 -5.246 -12.378 1.00 0.00 C ATOM 1272 CG GLN A 88 -1.466 -5.449 -11.008 1.00 0.00 C ATOM 1273 CD GLN A 88 -1.157 -6.812 -10.421 1.00 0.00 C ATOM 1274 OE1 GLN A 88 -0.365 -6.932 -9.485 1.00 0.00 O ATOM 1275 NE2 GLN A 88 -1.782 -7.848 -10.968 1.00 0.00 N ATOM 0 H GLN A 88 -0.748 -3.094 -11.119 1.00 0.00 H new ATOM 0 HA GLN A 88 -0.579 -3.767 -13.915 1.00 0.00 H new ATOM 0 HB2 GLN A 88 -1.177 -6.041 -13.043 1.00 0.00 H new ATOM 0 HB3 GLN A 88 0.242 -5.340 -12.291 1.00 0.00 H new ATOM 0 HG2 GLN A 88 -1.106 -4.675 -10.330 1.00 0.00 H new ATOM 0 HG3 GLN A 88 -2.546 -5.327 -11.085 1.00 0.00 H new ATOM 0 HE21 GLN A 88 -2.430 -7.702 -11.742 1.00 0.00 H new ATOM 0 HE22 GLN A 88 -1.614 -8.790 -10.614 1.00 0.00 H new ATOM 1284 N ALA A 89 -3.432 -3.107 -12.611 1.00 0.00 N ATOM 1285 CA ALA A 89 -4.862 -2.977 -12.866 1.00 0.00 C ATOM 1286 C ALA A 89 -5.259 -1.515 -13.039 1.00 0.00 C ATOM 1287 O ALA A 89 -6.407 -1.143 -12.803 1.00 0.00 O ATOM 1288 CB ALA A 89 -5.659 -3.613 -11.737 1.00 0.00 C ATOM 0 H ALA A 89 -3.100 -2.588 -11.798 1.00 0.00 H new ATOM 0 HA ALA A 89 -5.089 -3.499 -13.795 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -6.725 -3.509 -11.940 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -5.405 -4.671 -11.663 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -5.419 -3.116 -10.797 1.00 0.00 H new ATOM 1294 N GLU A 90 -4.300 -0.691 -13.452 1.00 0.00 N ATOM 1295 CA GLU A 90 -4.551 0.731 -13.654 1.00 0.00 C ATOM 1296 C GLU A 90 -5.963 0.964 -14.185 1.00 0.00 C ATOM 1297 O GLU A 90 -6.574 1.998 -13.918 1.00 0.00 O ATOM 1298 CB GLU A 90 -3.525 1.319 -14.625 1.00 0.00 C ATOM 1299 CG GLU A 90 -3.148 0.378 -15.756 1.00 0.00 C ATOM 1300 CD GLU A 90 -1.696 0.514 -16.169 1.00 0.00 C ATOM 1301 OE1 GLU A 90 -1.281 1.638 -16.522 1.00 0.00 O ATOM 1302 OE2 GLU A 90 -0.973 -0.504 -16.138 1.00 0.00 O ATOM 0 H GLU A 90 -3.344 -0.984 -13.653 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.457 1.232 -12.690 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -3.925 2.240 -15.048 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -2.625 1.587 -14.071 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.339 -0.650 -15.447 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -3.787 0.576 -16.617 1.00 0.00 H new ATOM 1309 N GLU A 91 -6.473 -0.005 -14.938 1.00 0.00 N ATOM 1310 CA GLU A 91 -7.811 0.095 -15.508 1.00 0.00 C ATOM 1311 C GLU A 91 -8.775 0.748 -14.521 1.00 0.00 C ATOM 1312 O GLU A 91 -9.677 1.488 -14.915 1.00 0.00 O ATOM 1313 CB GLU A 91 -8.328 -1.290 -15.901 1.00 0.00 C ATOM 1314 CG GLU A 91 -7.377 -2.061 -16.801 1.00 0.00 C ATOM 1315 CD GLU A 91 -6.408 -2.927 -16.020 1.00 0.00 C ATOM 1316 OE1 GLU A 91 -6.858 -3.915 -15.404 1.00 0.00 O ATOM 1317 OE2 GLU A 91 -5.198 -2.616 -16.026 1.00 0.00 O ATOM 0 H GLU A 91 -5.980 -0.868 -15.167 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.752 0.719 -16.400 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -8.510 -1.871 -14.997 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -9.287 -1.180 -16.408 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.954 -2.689 -17.480 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -6.815 -1.358 -17.417 1.00 0.00 H new ATOM 1324 N TRP A 92 -8.578 0.468 -13.238 1.00 0.00 N ATOM 1325 CA TRP A 92 -9.429 1.028 -12.194 1.00 0.00 C ATOM 1326 C TRP A 92 -9.378 2.551 -12.208 1.00 0.00 C ATOM 1327 O TRP A 92 -10.409 3.218 -12.116 1.00 0.00 O ATOM 1328 CB TRP A 92 -9.001 0.503 -10.823 1.00 0.00 C ATOM 1329 CG TRP A 92 -7.636 0.962 -10.411 1.00 0.00 C ATOM 1330 CD1 TRP A 92 -6.491 0.218 -10.394 1.00 0.00 C ATOM 1331 CD2 TRP A 92 -7.273 2.270 -9.954 1.00 0.00 C ATOM 1332 NE1 TRP A 92 -5.438 0.984 -9.954 1.00 0.00 N ATOM 1333 CE2 TRP A 92 -5.892 2.247 -9.679 1.00 0.00 C ATOM 1334 CE3 TRP A 92 -7.980 3.458 -9.753 1.00 0.00 C ATOM 1335 CZ2 TRP A 92 -5.207 3.366 -9.212 1.00 0.00 C ATOM 1336 CZ3 TRP A 92 -7.299 4.568 -9.290 1.00 0.00 C ATOM 1337 CH2 TRP A 92 -5.924 4.516 -9.024 1.00 0.00 C ATOM 0 H TRP A 92 -7.837 -0.143 -12.895 1.00 0.00 H new ATOM 0 HA TRP A 92 -10.455 0.717 -12.390 1.00 0.00 H new ATOM 0 HB2 TRP A 92 -9.726 0.826 -10.076 1.00 0.00 H new ATOM 0 HB3 TRP A 92 -9.021 -0.587 -10.837 1.00 0.00 H new ATOM 0 HD1 TRP A 92 -6.423 -0.820 -10.684 1.00 0.00 H new ATOM 0 HE1 TRP A 92 -4.475 0.664 -9.849 1.00 0.00 H new ATOM 0 HE3 TRP A 92 -9.040 3.508 -9.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 92 -4.148 3.327 -9.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 92 -7.836 5.491 -9.130 1.00 0.00 H new ATOM 0 HH2 TRP A 92 -5.421 5.401 -8.664 1.00 0.00 H new ATOM 1348 N TYR A 93 -8.172 3.097 -12.323 1.00 0.00 N ATOM 1349 CA TYR A 93 -7.987 4.543 -12.347 1.00 0.00 C ATOM 1350 C TYR A 93 -8.278 5.107 -13.734 1.00 0.00 C ATOM 1351 O TYR A 93 -8.761 6.232 -13.871 1.00 0.00 O ATOM 1352 CB TYR A 93 -6.561 4.903 -11.927 1.00 0.00 C ATOM 1353 CG TYR A 93 -5.612 5.073 -13.091 1.00 0.00 C ATOM 1354 CD1 TYR A 93 -5.804 6.080 -14.029 1.00 0.00 C ATOM 1355 CD2 TYR A 93 -4.521 4.227 -13.253 1.00 0.00 C ATOM 1356 CE1 TYR A 93 -4.940 6.239 -15.095 1.00 0.00 C ATOM 1357 CE2 TYR A 93 -3.650 4.380 -14.315 1.00 0.00 C ATOM 1358 CZ TYR A 93 -3.865 5.386 -15.234 1.00 0.00 C ATOM 1359 OH TYR A 93 -3.000 5.542 -16.293 1.00 0.00 O ATOM 0 H TYR A 93 -7.308 2.560 -12.401 1.00 0.00 H new ATOM 0 HA TYR A 93 -8.689 4.985 -11.640 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -6.584 5.827 -11.350 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -6.178 4.124 -11.267 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -6.644 6.751 -13.923 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -4.351 3.437 -12.537 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -5.105 7.027 -15.815 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -2.806 3.716 -14.425 1.00 0.00 H new ATOM 0 HH TYR A 93 -3.411 5.183 -17.107 1.00 0.00 H new ATOM 1369 N PHE A 94 -7.982 4.318 -14.761 1.00 0.00 N ATOM 1370 CA PHE A 94 -8.211 4.737 -16.139 1.00 0.00 C ATOM 1371 C PHE A 94 -9.686 5.048 -16.374 1.00 0.00 C ATOM 1372 O PHE A 94 -10.028 6.052 -16.999 1.00 0.00 O ATOM 1373 CB PHE A 94 -7.746 3.648 -17.109 1.00 0.00 C ATOM 1374 CG PHE A 94 -6.314 3.797 -17.535 1.00 0.00 C ATOM 1375 CD1 PHE A 94 -5.953 4.740 -18.484 1.00 0.00 C ATOM 1376 CD2 PHE A 94 -5.327 2.993 -16.986 1.00 0.00 C ATOM 1377 CE1 PHE A 94 -4.636 4.879 -18.878 1.00 0.00 C ATOM 1378 CE2 PHE A 94 -4.008 3.128 -17.376 1.00 0.00 C ATOM 1379 CZ PHE A 94 -3.662 4.071 -18.324 1.00 0.00 C ATOM 0 H PHE A 94 -7.583 3.384 -14.665 1.00 0.00 H new ATOM 0 HA PHE A 94 -7.634 5.644 -16.318 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -7.877 2.673 -16.639 1.00 0.00 H new ATOM 0 HB3 PHE A 94 -8.383 3.664 -17.993 1.00 0.00 H new ATOM 0 HD1 PHE A 94 -6.710 5.374 -18.921 1.00 0.00 H new ATOM 0 HD2 PHE A 94 -5.592 2.253 -16.245 1.00 0.00 H new ATOM 0 HE1 PHE A 94 -4.368 5.618 -19.618 1.00 0.00 H new ATOM 0 HE2 PHE A 94 -3.248 2.496 -16.940 1.00 0.00 H new ATOM 0 HZ PHE A 94 -2.632 4.176 -18.632 1.00 0.00 H new