USER MOD reduce.3.24.130724 H: found=0, std=0, add=465, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 465 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 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 158:sc= 1.71 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 LYS NZ :NH3+ 168:sc= 0 (180deg=-0.108) USER MOD Single : A 39 GLN : amide:sc= -4.57! C(o=-4.6!,f=-7.8!) USER MOD Single : A 40 ASN : amide:sc= -0.0394 X(o=-0.039,f=-0.12) USER MOD Single : A 42 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 THR OG1 : rot 57:sc= 0.594 USER MOD Single : A 49 SER OG : rot -58:sc= -0.19! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot -69:sc= 1.23 USER MOD Single : A 55 MET CE :methyl 160:sc= -2.57! (180deg=-4.08!) USER MOD Single : A 63 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 GLN : amide:sc= -0.074 X(o=-0.074,f=0) USER MOD Single : A 67 TYR OH : rot 165:sc= -0.185 USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 THR OG1 : rot 67:sc= -0.1 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 306 N PRO A 21 -3.437 2.857 5.995 1.00 0.00 N ATOM 307 CA PRO A 21 -4.319 3.913 5.488 1.00 0.00 C ATOM 308 C PRO A 21 -5.015 4.675 6.610 1.00 0.00 C ATOM 309 O PRO A 21 -5.388 4.095 7.630 1.00 0.00 O ATOM 310 CB PRO A 21 -5.343 3.146 4.647 1.00 0.00 C ATOM 311 CG PRO A 21 -5.360 1.775 5.228 1.00 0.00 C ATOM 312 CD PRO A 21 -3.959 1.510 5.707 1.00 0.00 C ATOM 0 HA PRO A 21 -3.769 4.670 4.929 1.00 0.00 H new ATOM 0 HB2 PRO A 21 -6.327 3.611 4.701 1.00 0.00 H new ATOM 0 HB3 PRO A 21 -5.057 3.127 3.595 1.00 0.00 H new ATOM 0 HG2 PRO A 21 -6.073 1.709 6.050 1.00 0.00 H new ATOM 0 HG3 PRO A 21 -5.663 1.039 4.483 1.00 0.00 H new ATOM 0 HD2 PRO A 21 -3.951 0.877 6.595 1.00 0.00 H new ATOM 0 HD3 PRO A 21 -3.364 1.002 4.948 1.00 0.00 H new ATOM 320 N VAL A 22 -5.187 5.979 6.416 1.00 0.00 N ATOM 321 CA VAL A 22 -5.840 6.821 7.412 1.00 0.00 C ATOM 322 C VAL A 22 -7.347 6.589 7.424 1.00 0.00 C ATOM 323 O VAL A 22 -7.860 5.737 6.700 1.00 0.00 O ATOM 324 CB VAL A 22 -5.563 8.314 7.153 1.00 0.00 C ATOM 325 CG1 VAL A 22 -4.072 8.558 6.977 1.00 0.00 C ATOM 326 CG2 VAL A 22 -6.338 8.795 5.935 1.00 0.00 C ATOM 0 H VAL A 22 -4.883 6.475 5.578 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.425 6.545 8.382 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.900 8.884 8.019 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -3.896 9.618 6.795 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.544 8.252 7.880 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -3.706 7.979 6.129 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.131 9.852 5.766 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -6.033 8.221 5.060 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.406 8.657 6.105 1.00 0.00 H new ATOM 336 N SER A 23 -8.050 7.354 8.253 1.00 0.00 N ATOM 337 CA SER A 23 -9.499 7.230 8.362 1.00 0.00 C ATOM 338 C SER A 23 -10.195 7.949 7.211 1.00 0.00 C ATOM 339 O SER A 23 -9.547 8.583 6.378 1.00 0.00 O ATOM 340 CB SER A 23 -9.981 7.798 9.699 1.00 0.00 C ATOM 341 OG SER A 23 -11.081 7.059 10.201 1.00 0.00 O ATOM 0 H SER A 23 -7.640 8.065 8.858 1.00 0.00 H new ATOM 0 HA SER A 23 -9.753 6.171 8.312 1.00 0.00 H new ATOM 0 HB2 SER A 23 -9.165 7.777 10.422 1.00 0.00 H new ATOM 0 HB3 SER A 23 -10.268 8.842 9.572 1.00 0.00 H new ATOM 0 HG SER A 23 -11.369 7.441 11.056 1.00 0.00 H new ATOM 347 N ALA A 24 -11.519 7.846 7.171 1.00 0.00 N ATOM 348 CA ALA A 24 -12.304 8.487 6.123 1.00 0.00 C ATOM 349 C ALA A 24 -12.017 9.983 6.061 1.00 0.00 C ATOM 350 O ALA A 24 -11.567 10.497 5.036 1.00 0.00 O ATOM 351 CB ALA A 24 -13.788 8.241 6.350 1.00 0.00 C ATOM 0 H ALA A 24 -12.071 7.325 7.852 1.00 0.00 H new ATOM 0 HA ALA A 24 -12.017 8.048 5.167 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -14.362 8.725 5.560 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -13.985 7.169 6.337 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -14.081 8.652 7.316 1.00 0.00 H new ATOM 357 N TYR A 25 -12.282 10.678 7.161 1.00 0.00 N ATOM 358 CA TYR A 25 -12.055 12.117 7.230 1.00 0.00 C ATOM 359 C TYR A 25 -10.581 12.447 7.014 1.00 0.00 C ATOM 360 O TYR A 25 -10.238 13.537 6.557 1.00 0.00 O ATOM 361 CB TYR A 25 -12.518 12.663 8.582 1.00 0.00 C ATOM 362 CG TYR A 25 -11.815 13.937 8.993 1.00 0.00 C ATOM 363 CD1 TYR A 25 -11.759 15.031 8.138 1.00 0.00 C ATOM 364 CD2 TYR A 25 -11.207 14.047 10.238 1.00 0.00 C ATOM 365 CE1 TYR A 25 -11.117 16.196 8.509 1.00 0.00 C ATOM 366 CE2 TYR A 25 -10.564 15.209 10.618 1.00 0.00 C ATOM 367 CZ TYR A 25 -10.521 16.280 9.751 1.00 0.00 C ATOM 368 OH TYR A 25 -9.882 17.440 10.125 1.00 0.00 O ATOM 0 H TYR A 25 -12.654 10.268 8.018 1.00 0.00 H new ATOM 0 HA TYR A 25 -12.635 12.589 6.437 1.00 0.00 H new ATOM 0 HB2 TYR A 25 -13.592 12.847 8.542 1.00 0.00 H new ATOM 0 HB3 TYR A 25 -12.353 11.904 9.347 1.00 0.00 H new ATOM 0 HD1 TYR A 25 -12.226 14.969 7.166 1.00 0.00 H new ATOM 0 HD2 TYR A 25 -11.238 13.210 10.920 1.00 0.00 H new ATOM 0 HE1 TYR A 25 -11.082 17.036 7.831 1.00 0.00 H new ATOM 0 HE2 TYR A 25 -10.097 15.278 11.589 1.00 0.00 H new ATOM 0 HH TYR A 25 -9.517 17.336 11.028 1.00 0.00 H new ATOM 378 N ALA A 26 -9.714 11.496 7.345 1.00 0.00 N ATOM 379 CA ALA A 26 -8.277 11.683 7.185 1.00 0.00 C ATOM 380 C ALA A 26 -7.871 11.587 5.719 1.00 0.00 C ATOM 381 O ALA A 26 -7.017 12.341 5.250 1.00 0.00 O ATOM 382 CB ALA A 26 -7.516 10.658 8.014 1.00 0.00 C ATOM 0 H ALA A 26 -9.981 10.588 7.726 1.00 0.00 H new ATOM 0 HA ALA A 26 -8.024 12.682 7.540 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -6.444 10.809 7.885 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -7.775 10.776 9.066 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -7.783 9.654 7.685 1.00 0.00 H new ATOM 388 N LEU A 27 -8.486 10.656 4.999 1.00 0.00 N ATOM 389 CA LEU A 27 -8.188 10.461 3.584 1.00 0.00 C ATOM 390 C LEU A 27 -8.342 11.766 2.810 1.00 0.00 C ATOM 391 O LEU A 27 -7.634 12.007 1.832 1.00 0.00 O ATOM 392 CB LEU A 27 -9.108 9.392 2.991 1.00 0.00 C ATOM 393 CG LEU A 27 -8.520 7.985 2.882 1.00 0.00 C ATOM 394 CD1 LEU A 27 -9.609 6.937 3.046 1.00 0.00 C ATOM 395 CD2 LEU A 27 -7.803 7.809 1.551 1.00 0.00 C ATOM 0 H LEU A 27 -9.194 10.024 5.371 1.00 0.00 H new ATOM 0 HA LEU A 27 -7.153 10.129 3.499 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -10.011 9.340 3.599 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -9.412 9.715 1.995 1.00 0.00 H new ATOM 0 HG LEU A 27 -7.794 7.852 3.684 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -9.171 5.942 2.965 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -10.078 7.049 4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -10.360 7.067 2.267 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -7.391 6.802 1.490 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -8.509 7.962 0.735 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -6.995 8.537 1.474 1.00 0.00 H new ATOM 407 N PHE A 28 -9.269 12.607 3.256 1.00 0.00 N ATOM 408 CA PHE A 28 -9.515 13.889 2.607 1.00 0.00 C ATOM 409 C PHE A 28 -8.568 14.960 3.141 1.00 0.00 C ATOM 410 O PHE A 28 -8.414 16.024 2.541 1.00 0.00 O ATOM 411 CB PHE A 28 -10.966 14.324 2.821 1.00 0.00 C ATOM 412 CG PHE A 28 -11.200 15.784 2.557 1.00 0.00 C ATOM 413 CD1 PHE A 28 -10.945 16.728 3.539 1.00 0.00 C ATOM 414 CD2 PHE A 28 -11.675 16.212 1.328 1.00 0.00 C ATOM 415 CE1 PHE A 28 -11.159 18.072 3.300 1.00 0.00 C ATOM 416 CE2 PHE A 28 -11.890 17.555 1.083 1.00 0.00 C ATOM 417 CZ PHE A 28 -11.633 18.486 2.071 1.00 0.00 C ATOM 0 H PHE A 28 -9.863 12.423 4.065 1.00 0.00 H new ATOM 0 HA PHE A 28 -9.333 13.767 1.539 1.00 0.00 H new ATOM 0 HB2 PHE A 28 -11.613 13.737 2.169 1.00 0.00 H new ATOM 0 HB3 PHE A 28 -11.257 14.097 3.847 1.00 0.00 H new ATOM 0 HD1 PHE A 28 -10.575 16.410 4.502 1.00 0.00 H new ATOM 0 HD2 PHE A 28 -11.880 15.488 0.553 1.00 0.00 H new ATOM 0 HE1 PHE A 28 -10.956 18.798 4.074 1.00 0.00 H new ATOM 0 HE2 PHE A 28 -12.259 17.877 0.120 1.00 0.00 H new ATOM 0 HZ PHE A 28 -11.803 19.536 1.882 1.00 0.00 H new ATOM 427 N PHE A 29 -7.935 14.670 4.273 1.00 0.00 N ATOM 428 CA PHE A 29 -7.004 15.608 4.891 1.00 0.00 C ATOM 429 C PHE A 29 -5.660 15.593 4.169 1.00 0.00 C ATOM 430 O PHE A 29 -5.068 16.642 3.916 1.00 0.00 O ATOM 431 CB PHE A 29 -6.807 15.265 6.369 1.00 0.00 C ATOM 432 CG PHE A 29 -5.905 16.224 7.091 1.00 0.00 C ATOM 433 CD1 PHE A 29 -4.552 16.278 6.798 1.00 0.00 C ATOM 434 CD2 PHE A 29 -6.410 17.072 8.064 1.00 0.00 C ATOM 435 CE1 PHE A 29 -3.719 17.160 7.461 1.00 0.00 C ATOM 436 CE2 PHE A 29 -5.583 17.956 8.730 1.00 0.00 C ATOM 437 CZ PHE A 29 -4.235 17.999 8.429 1.00 0.00 C ATOM 0 H PHE A 29 -8.050 13.793 4.781 1.00 0.00 H new ATOM 0 HA PHE A 29 -7.428 16.609 4.812 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -7.778 15.250 6.863 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -6.394 14.260 6.449 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -4.143 15.623 6.043 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -7.462 17.041 8.304 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -2.666 17.193 7.222 1.00 0.00 H new ATOM 0 HE2 PHE A 29 -5.990 18.613 9.485 1.00 0.00 H new ATOM 0 HZ PHE A 29 -3.586 18.688 8.950 1.00 0.00 H new ATOM 447 N ARG A 30 -5.184 14.396 3.842 1.00 0.00 N ATOM 448 CA ARG A 30 -3.908 14.244 3.152 1.00 0.00 C ATOM 449 C ARG A 30 -4.057 14.541 1.663 1.00 0.00 C ATOM 450 O ARG A 30 -3.073 14.799 0.970 1.00 0.00 O ATOM 451 CB ARG A 30 -3.364 12.828 3.349 1.00 0.00 C ATOM 452 CG ARG A 30 -4.401 11.740 3.123 1.00 0.00 C ATOM 453 CD ARG A 30 -3.855 10.623 2.247 1.00 0.00 C ATOM 454 NE ARG A 30 -3.055 9.669 3.010 1.00 0.00 N ATOM 455 CZ ARG A 30 -2.388 8.661 2.459 1.00 0.00 C ATOM 456 NH1 ARG A 30 -2.425 8.477 1.147 1.00 0.00 N ATOM 457 NH2 ARG A 30 -1.682 7.836 3.221 1.00 0.00 N ATOM 0 H ARG A 30 -5.662 13.518 4.043 1.00 0.00 H new ATOM 0 HA ARG A 30 -3.204 14.959 3.579 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.529 12.670 2.666 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.969 12.737 4.361 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.715 11.330 4.083 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -5.286 12.171 2.655 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -4.683 10.100 1.768 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.246 11.052 1.451 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.006 9.783 4.022 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -2.966 9.110 0.558 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.912 7.702 0.726 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -1.651 7.975 4.231 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -1.170 7.062 2.797 1.00 0.00 H new ATOM 471 N ASP A 31 -5.294 14.502 1.178 1.00 0.00 N ATOM 472 CA ASP A 31 -5.572 14.767 -0.229 1.00 0.00 C ATOM 473 C ASP A 31 -5.870 16.246 -0.454 1.00 0.00 C ATOM 474 O ASP A 31 -5.655 16.775 -1.545 1.00 0.00 O ATOM 475 CB ASP A 31 -6.750 13.917 -0.707 1.00 0.00 C ATOM 476 CG ASP A 31 -6.527 13.343 -2.092 1.00 0.00 C ATOM 477 OD1 ASP A 31 -6.683 14.094 -3.077 1.00 0.00 O ATOM 478 OD2 ASP A 31 -6.196 12.143 -2.191 1.00 0.00 O ATOM 0 H ASP A 31 -6.119 14.290 1.738 1.00 0.00 H new ATOM 0 HA ASP A 31 -4.686 14.502 -0.806 1.00 0.00 H new ATOM 0 HB2 ASP A 31 -6.916 13.102 -0.002 1.00 0.00 H new ATOM 0 HB3 ASP A 31 -7.655 14.525 -0.710 1.00 0.00 H new ATOM 483 N THR A 32 -6.369 16.909 0.585 1.00 0.00 N ATOM 484 CA THR A 32 -6.699 18.326 0.500 1.00 0.00 C ATOM 485 C THR A 32 -5.564 19.188 1.040 1.00 0.00 C ATOM 486 O THR A 32 -5.217 20.212 0.452 1.00 0.00 O ATOM 487 CB THR A 32 -7.989 18.649 1.277 1.00 0.00 C ATOM 488 OG1 THR A 32 -9.077 17.871 0.766 1.00 0.00 O ATOM 489 CG2 THR A 32 -8.326 20.129 1.174 1.00 0.00 C ATOM 0 H THR A 32 -6.553 16.487 1.495 1.00 0.00 H new ATOM 0 HA THR A 32 -6.853 18.553 -0.555 1.00 0.00 H new ATOM 0 HB THR A 32 -7.827 18.401 2.326 1.00 0.00 H new ATOM 0 HG1 THR A 32 -9.778 17.802 1.447 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.241 20.333 1.730 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.509 20.718 1.590 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.470 20.397 0.127 1.00 0.00 H new ATOM 497 N GLN A 33 -4.990 18.767 2.162 1.00 0.00 N ATOM 498 CA GLN A 33 -3.893 19.503 2.781 1.00 0.00 C ATOM 499 C GLN A 33 -2.999 20.140 1.722 1.00 0.00 C ATOM 500 O GLN A 33 -2.784 21.352 1.725 1.00 0.00 O ATOM 501 CB GLN A 33 -3.067 18.574 3.672 1.00 0.00 C ATOM 502 CG GLN A 33 -1.798 19.216 4.209 1.00 0.00 C ATOM 503 CD GLN A 33 -0.607 18.279 4.168 1.00 0.00 C ATOM 504 OE1 GLN A 33 -0.345 17.548 5.124 1.00 0.00 O ATOM 505 NE2 GLN A 33 0.122 18.295 3.059 1.00 0.00 N ATOM 0 H GLN A 33 -5.266 17.921 2.661 1.00 0.00 H new ATOM 0 HA GLN A 33 -4.321 20.297 3.394 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -3.682 18.247 4.511 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.801 17.682 3.105 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -1.573 20.109 3.626 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -1.966 19.539 5.236 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -0.131 18.917 2.291 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.936 17.686 2.975 1.00 0.00 H new ATOM 514 N ALA A 34 -2.480 19.315 0.819 1.00 0.00 N ATOM 515 CA ALA A 34 -1.611 19.798 -0.247 1.00 0.00 C ATOM 516 C ALA A 34 -2.132 21.108 -0.829 1.00 0.00 C ATOM 517 O ALA A 34 -1.421 22.112 -0.857 1.00 0.00 O ATOM 518 CB ALA A 34 -1.481 18.747 -1.339 1.00 0.00 C ATOM 0 H ALA A 34 -2.646 18.309 0.804 1.00 0.00 H new ATOM 0 HA ALA A 34 -0.626 19.987 0.179 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -0.829 19.121 -2.128 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -1.055 17.836 -0.918 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -2.465 18.530 -1.754 1.00 0.00 H new ATOM 524 N ALA A 35 -3.377 21.090 -1.293 1.00 0.00 N ATOM 525 CA ALA A 35 -3.993 22.277 -1.874 1.00 0.00 C ATOM 526 C ALA A 35 -3.999 23.434 -0.881 1.00 0.00 C ATOM 527 O ALA A 35 -3.919 24.599 -1.270 1.00 0.00 O ATOM 528 CB ALA A 35 -5.410 21.965 -2.333 1.00 0.00 C ATOM 0 H ALA A 35 -3.979 20.267 -1.278 1.00 0.00 H new ATOM 0 HA ALA A 35 -3.401 22.578 -2.738 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -5.858 22.860 -2.765 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -5.384 21.174 -3.083 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -6.005 21.637 -1.481 1.00 0.00 H new ATOM 534 N ILE A 36 -4.094 23.105 0.403 1.00 0.00 N ATOM 535 CA ILE A 36 -4.110 24.117 1.452 1.00 0.00 C ATOM 536 C ILE A 36 -2.721 24.709 1.665 1.00 0.00 C ATOM 537 O ILE A 36 -2.492 25.892 1.411 1.00 0.00 O ATOM 538 CB ILE A 36 -4.620 23.539 2.785 1.00 0.00 C ATOM 539 CG1 ILE A 36 -5.900 22.732 2.560 1.00 0.00 C ATOM 540 CG2 ILE A 36 -4.861 24.656 3.789 1.00 0.00 C ATOM 541 CD1 ILE A 36 -7.060 23.565 2.061 1.00 0.00 C ATOM 0 H ILE A 36 -4.161 22.145 0.742 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.791 24.902 1.123 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.859 22.872 3.189 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -5.698 21.938 1.841 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -6.185 22.250 3.495 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -5.221 24.231 4.726 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -3.929 25.192 3.968 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.606 25.346 3.393 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -7.933 22.927 1.924 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -7.289 24.343 2.789 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -6.794 24.026 1.110 1.00 0.00 H new ATOM 553 N LYS A 37 -1.795 23.878 2.132 1.00 0.00 N ATOM 554 CA LYS A 37 -0.427 24.317 2.378 1.00 0.00 C ATOM 555 C LYS A 37 0.121 25.087 1.180 1.00 0.00 C ATOM 556 O LYS A 37 0.710 26.156 1.333 1.00 0.00 O ATOM 557 CB LYS A 37 0.470 23.114 2.677 1.00 0.00 C ATOM 558 CG LYS A 37 1.365 23.310 3.889 1.00 0.00 C ATOM 559 CD LYS A 37 2.377 24.420 3.662 1.00 0.00 C ATOM 560 CE LYS A 37 3.332 24.553 4.838 1.00 0.00 C ATOM 561 NZ LYS A 37 4.255 23.389 4.937 1.00 0.00 N ATOM 0 H LYS A 37 -1.968 22.896 2.348 1.00 0.00 H new ATOM 0 HA LYS A 37 -0.435 24.981 3.242 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -0.155 22.235 2.836 1.00 0.00 H new ATOM 0 HB3 LYS A 37 1.092 22.909 1.806 1.00 0.00 H new ATOM 0 HG2 LYS A 37 0.753 23.547 4.759 1.00 0.00 H new ATOM 0 HG3 LYS A 37 1.888 22.380 4.110 1.00 0.00 H new ATOM 0 HD2 LYS A 37 2.943 24.217 2.753 1.00 0.00 H new ATOM 0 HD3 LYS A 37 1.855 25.364 3.508 1.00 0.00 H new ATOM 0 HE2 LYS A 37 3.913 25.469 4.732 1.00 0.00 H new ATOM 0 HE3 LYS A 37 2.760 24.643 5.762 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 5.015 23.605 5.614 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 3.727 22.554 5.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 4.669 23.194 4.003 1.00 0.00 H new ATOM 575 N GLY A 38 -0.079 24.536 -0.014 1.00 0.00 N ATOM 576 CA GLY A 38 0.400 25.186 -1.220 1.00 0.00 C ATOM 577 C GLY A 38 0.030 26.655 -1.273 1.00 0.00 C ATOM 578 O GLY A 38 0.856 27.496 -1.627 1.00 0.00 O ATOM 0 H GLY A 38 -0.564 23.652 -0.167 1.00 0.00 H new ATOM 0 HA2 GLY A 38 1.484 25.085 -1.277 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.014 24.679 -2.091 1.00 0.00 H new ATOM 582 N GLN A 39 -1.214 26.963 -0.922 1.00 0.00 N ATOM 583 CA GLN A 39 -1.691 28.341 -0.934 1.00 0.00 C ATOM 584 C GLN A 39 -1.130 29.122 0.250 1.00 0.00 C ATOM 585 O GLN A 39 -0.958 30.338 0.179 1.00 0.00 O ATOM 586 CB GLN A 39 -3.220 28.374 -0.904 1.00 0.00 C ATOM 587 CG GLN A 39 -3.861 28.127 -2.260 1.00 0.00 C ATOM 588 CD GLN A 39 -3.145 27.055 -3.057 1.00 0.00 C ATOM 589 OE1 GLN A 39 -1.976 27.206 -3.413 1.00 0.00 O ATOM 590 NE2 GLN A 39 -3.844 25.963 -3.343 1.00 0.00 N ATOM 0 H GLN A 39 -1.909 26.278 -0.626 1.00 0.00 H new ATOM 0 HA GLN A 39 -1.343 28.811 -1.853 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -3.578 27.622 -0.200 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -3.547 29.344 -0.528 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -4.901 27.835 -2.118 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -3.866 29.056 -2.830 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.811 25.879 -3.028 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -3.414 25.208 -3.877 1.00 0.00 H new ATOM 599 N ASN A 40 -0.847 28.413 1.339 1.00 0.00 N ATOM 600 CA ASN A 40 -0.307 29.041 2.539 1.00 0.00 C ATOM 601 C ASN A 40 0.904 28.270 3.058 1.00 0.00 C ATOM 602 O ASN A 40 0.809 27.467 3.986 1.00 0.00 O ATOM 603 CB ASN A 40 -1.380 29.118 3.627 1.00 0.00 C ATOM 604 CG ASN A 40 -2.749 29.450 3.066 1.00 0.00 C ATOM 605 OD1 ASN A 40 -2.942 30.498 2.449 1.00 0.00 O ATOM 606 ND2 ASN A 40 -3.708 28.557 3.279 1.00 0.00 N ATOM 0 H ASN A 40 -0.983 27.405 1.414 1.00 0.00 H new ATOM 0 HA ASN A 40 0.010 30.051 2.279 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -1.428 28.165 4.154 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -1.097 29.874 4.359 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -4.650 28.726 2.926 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -3.503 27.702 3.796 1.00 0.00 H new ATOM 613 N PRO A 41 2.071 28.519 2.445 1.00 0.00 N ATOM 614 CA PRO A 41 3.323 27.860 2.828 1.00 0.00 C ATOM 615 C PRO A 41 3.828 28.322 4.191 1.00 0.00 C ATOM 616 O PRO A 41 4.679 27.676 4.799 1.00 0.00 O ATOM 617 CB PRO A 41 4.297 28.282 1.725 1.00 0.00 C ATOM 618 CG PRO A 41 3.753 29.570 1.211 1.00 0.00 C ATOM 619 CD PRO A 41 2.257 29.464 1.331 1.00 0.00 C ATOM 0 HA PRO A 41 3.204 26.780 2.921 1.00 0.00 H new ATOM 0 HB2 PRO A 41 5.307 28.407 2.115 1.00 0.00 H new ATOM 0 HB3 PRO A 41 4.350 27.532 0.936 1.00 0.00 H new ATOM 0 HG2 PRO A 41 4.132 30.413 1.789 1.00 0.00 H new ATOM 0 HG3 PRO A 41 4.051 29.734 0.175 1.00 0.00 H new ATOM 0 HD2 PRO A 41 1.801 30.431 1.544 1.00 0.00 H new ATOM 0 HD3 PRO A 41 1.805 29.094 0.411 1.00 0.00 H new ATOM 627 N ASN A 42 3.297 29.445 4.664 1.00 0.00 N ATOM 628 CA ASN A 42 3.694 29.993 5.955 1.00 0.00 C ATOM 629 C ASN A 42 3.091 29.184 7.099 1.00 0.00 C ATOM 630 O ASN A 42 3.676 29.081 8.177 1.00 0.00 O ATOM 631 CB ASN A 42 3.260 31.457 6.067 1.00 0.00 C ATOM 632 CG ASN A 42 3.969 32.348 5.065 1.00 0.00 C ATOM 633 OD1 ASN A 42 5.143 32.678 5.232 1.00 0.00 O ATOM 634 ND2 ASN A 42 3.256 32.742 4.016 1.00 0.00 N ATOM 0 H ASN A 42 2.591 29.993 4.172 1.00 0.00 H new ATOM 0 HA ASN A 42 4.780 29.936 6.026 1.00 0.00 H new ATOM 0 HB2 ASN A 42 2.183 31.527 5.913 1.00 0.00 H new ATOM 0 HB3 ASN A 42 3.462 31.817 7.076 1.00 0.00 H new ATOM 0 HD21 ASN A 42 3.679 33.343 3.308 1.00 0.00 H new ATOM 0 HD22 ASN A 42 2.285 32.444 3.918 1.00 0.00 H new ATOM 641 N ALA A 43 1.917 28.610 6.856 1.00 0.00 N ATOM 642 CA ALA A 43 1.235 27.808 7.864 1.00 0.00 C ATOM 643 C ALA A 43 2.194 26.820 8.519 1.00 0.00 C ATOM 644 O ALA A 43 3.296 26.585 8.022 1.00 0.00 O ATOM 645 CB ALA A 43 0.057 27.071 7.243 1.00 0.00 C ATOM 0 H ALA A 43 1.418 28.686 5.969 1.00 0.00 H new ATOM 0 HA ALA A 43 0.862 28.480 8.637 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -0.443 26.476 8.007 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.646 27.793 6.827 1.00 0.00 H new ATOM 0 HB3 ALA A 43 0.415 26.415 6.449 1.00 0.00 H new ATOM 651 N THR A 44 1.768 26.242 9.638 1.00 0.00 N ATOM 652 CA THR A 44 2.589 25.281 10.363 1.00 0.00 C ATOM 653 C THR A 44 1.755 24.102 10.849 1.00 0.00 C ATOM 654 O THR A 44 1.616 23.881 12.053 1.00 0.00 O ATOM 655 CB THR A 44 3.286 25.935 11.571 1.00 0.00 C ATOM 656 OG1 THR A 44 2.308 26.414 12.501 1.00 0.00 O ATOM 657 CG2 THR A 44 4.175 27.086 11.124 1.00 0.00 C ATOM 0 H THR A 44 0.858 26.423 10.062 1.00 0.00 H new ATOM 0 HA THR A 44 3.347 24.924 9.666 1.00 0.00 H new ATOM 0 HB THR A 44 3.908 25.182 12.055 1.00 0.00 H new ATOM 0 HG1 THR A 44 1.731 25.673 12.780 1.00 0.00 H new ATOM 0 HG21 THR A 44 4.657 27.533 11.994 1.00 0.00 H new ATOM 0 HG22 THR A 44 4.936 26.713 10.439 1.00 0.00 H new ATOM 0 HG23 THR A 44 3.570 27.838 10.618 1.00 0.00 H new ATOM 665 N PHE A 45 1.200 23.346 9.907 1.00 0.00 N ATOM 666 CA PHE A 45 0.379 22.188 10.241 1.00 0.00 C ATOM 667 C PHE A 45 -0.937 22.621 10.880 1.00 0.00 C ATOM 668 O PHE A 45 -1.985 22.613 10.236 1.00 0.00 O ATOM 669 CB PHE A 45 1.136 21.255 11.187 1.00 0.00 C ATOM 670 CG PHE A 45 1.454 19.917 10.582 1.00 0.00 C ATOM 671 CD1 PHE A 45 0.471 19.180 9.941 1.00 0.00 C ATOM 672 CD2 PHE A 45 2.736 19.396 10.656 1.00 0.00 C ATOM 673 CE1 PHE A 45 0.761 17.949 9.383 1.00 0.00 C ATOM 674 CE2 PHE A 45 3.031 18.166 10.099 1.00 0.00 C ATOM 675 CZ PHE A 45 2.042 17.441 9.463 1.00 0.00 C ATOM 0 H PHE A 45 1.304 23.515 8.906 1.00 0.00 H new ATOM 0 HA PHE A 45 0.156 21.654 9.318 1.00 0.00 H new ATOM 0 HB2 PHE A 45 2.065 21.736 11.493 1.00 0.00 H new ATOM 0 HB3 PHE A 45 0.542 21.105 12.089 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -0.533 19.572 9.877 1.00 0.00 H new ATOM 0 HD2 PHE A 45 3.513 19.957 11.154 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -0.014 17.385 8.885 1.00 0.00 H new ATOM 0 HE2 PHE A 45 4.035 17.772 10.161 1.00 0.00 H new ATOM 0 HZ PHE A 45 2.271 16.479 9.029 1.00 0.00 H new ATOM 685 N GLY A 46 -0.874 22.999 12.153 1.00 0.00 N ATOM 686 CA GLY A 46 -2.066 23.430 12.860 1.00 0.00 C ATOM 687 C GLY A 46 -2.984 24.267 11.991 1.00 0.00 C ATOM 688 O GLY A 46 -4.205 24.121 12.047 1.00 0.00 O ATOM 0 H GLY A 46 -0.018 23.014 12.708 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -2.608 22.555 13.219 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -1.775 24.007 13.738 1.00 0.00 H new ATOM 692 N GLU A 47 -2.395 25.148 11.188 1.00 0.00 N ATOM 693 CA GLU A 47 -3.170 26.014 10.307 1.00 0.00 C ATOM 694 C GLU A 47 -3.833 25.205 9.195 1.00 0.00 C ATOM 695 O GLU A 47 -5.059 25.174 9.082 1.00 0.00 O ATOM 696 CB GLU A 47 -2.273 27.095 9.700 1.00 0.00 C ATOM 697 CG GLU A 47 -2.585 28.495 10.199 1.00 0.00 C ATOM 698 CD GLU A 47 -3.521 29.249 9.274 1.00 0.00 C ATOM 699 OE1 GLU A 47 -3.167 29.426 8.089 1.00 0.00 O ATOM 700 OE2 GLU A 47 -4.606 29.662 9.734 1.00 0.00 O ATOM 0 H GLU A 47 -1.385 25.281 11.129 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.950 26.490 10.901 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -1.233 26.861 9.926 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -2.376 27.074 8.615 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -3.033 28.432 11.191 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -1.656 29.055 10.304 1.00 0.00 H new ATOM 707 N VAL A 48 -3.014 24.552 8.377 1.00 0.00 N ATOM 708 CA VAL A 48 -3.520 23.743 7.274 1.00 0.00 C ATOM 709 C VAL A 48 -4.619 22.798 7.746 1.00 0.00 C ATOM 710 O VAL A 48 -5.608 22.581 7.046 1.00 0.00 O ATOM 711 CB VAL A 48 -2.395 22.919 6.621 1.00 0.00 C ATOM 712 CG1 VAL A 48 -2.977 21.821 5.743 1.00 0.00 C ATOM 713 CG2 VAL A 48 -1.472 23.822 5.817 1.00 0.00 C ATOM 0 H VAL A 48 -1.997 24.567 8.457 1.00 0.00 H new ATOM 0 HA VAL A 48 -3.930 24.433 6.536 1.00 0.00 H new ATOM 0 HB VAL A 48 -1.809 22.448 7.410 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -2.167 21.249 5.290 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.594 21.158 6.350 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -3.588 22.268 4.959 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -0.683 23.223 5.362 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -2.043 24.323 5.035 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -1.028 24.568 6.476 1.00 0.00 H new ATOM 723 N SER A 49 -4.439 22.237 8.938 1.00 0.00 N ATOM 724 CA SER A 49 -5.414 21.312 9.503 1.00 0.00 C ATOM 725 C SER A 49 -6.707 22.038 9.862 1.00 0.00 C ATOM 726 O SER A 49 -7.756 21.798 9.263 1.00 0.00 O ATOM 727 CB SER A 49 -4.839 20.626 10.743 1.00 0.00 C ATOM 728 OG SER A 49 -4.765 21.526 11.835 1.00 0.00 O ATOM 0 H SER A 49 -3.627 22.407 9.531 1.00 0.00 H new ATOM 0 HA SER A 49 -5.639 20.556 8.751 1.00 0.00 H new ATOM 0 HB2 SER A 49 -5.462 19.773 11.012 1.00 0.00 H new ATOM 0 HB3 SER A 49 -3.845 20.237 10.520 1.00 0.00 H new ATOM 0 HG SER A 49 -4.218 22.300 11.585 1.00 0.00 H new ATOM 734 N LYS A 50 -6.625 22.928 10.846 1.00 0.00 N ATOM 735 CA LYS A 50 -7.786 23.691 11.287 1.00 0.00 C ATOM 736 C LYS A 50 -8.654 24.096 10.099 1.00 0.00 C ATOM 737 O LYS A 50 -9.867 24.259 10.233 1.00 0.00 O ATOM 738 CB LYS A 50 -7.341 24.937 12.055 1.00 0.00 C ATOM 739 CG LYS A 50 -8.161 25.207 13.305 1.00 0.00 C ATOM 740 CD LYS A 50 -8.556 26.670 13.408 1.00 0.00 C ATOM 741 CE LYS A 50 -9.912 26.836 14.078 1.00 0.00 C ATOM 742 NZ LYS A 50 -9.978 28.079 14.895 1.00 0.00 N ATOM 0 H LYS A 50 -5.765 23.138 11.353 1.00 0.00 H new ATOM 0 HA LYS A 50 -8.377 23.057 11.947 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -6.293 24.826 12.335 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -7.405 25.802 11.395 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.058 24.587 13.294 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -7.587 24.921 14.186 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -7.800 27.213 13.975 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -8.585 27.111 12.412 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -10.692 26.859 13.317 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -10.111 25.973 14.713 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -10.917 28.156 15.335 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -9.250 28.046 15.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.813 28.905 14.285 1.00 0.00 H new ATOM 756 N ILE A 51 -8.025 24.255 8.940 1.00 0.00 N ATOM 757 CA ILE A 51 -8.741 24.639 7.729 1.00 0.00 C ATOM 758 C ILE A 51 -9.554 23.472 7.179 1.00 0.00 C ATOM 759 O ILE A 51 -10.752 23.601 6.925 1.00 0.00 O ATOM 760 CB ILE A 51 -7.775 25.136 6.638 1.00 0.00 C ATOM 761 CG1 ILE A 51 -7.082 26.424 7.088 1.00 0.00 C ATOM 762 CG2 ILE A 51 -8.522 25.359 5.331 1.00 0.00 C ATOM 763 CD1 ILE A 51 -5.864 26.775 6.262 1.00 0.00 C ATOM 0 H ILE A 51 -7.021 24.124 8.813 1.00 0.00 H new ATOM 0 HA ILE A 51 -9.414 25.451 8.004 1.00 0.00 H new ATOM 0 HB ILE A 51 -7.013 24.374 6.473 1.00 0.00 H new ATOM 0 HG12 ILE A 51 -7.795 27.247 7.038 1.00 0.00 H new ATOM 0 HG13 ILE A 51 -6.786 26.322 8.132 1.00 0.00 H new ATOM 0 HG21 ILE A 51 -7.826 25.710 4.569 1.00 0.00 H new ATOM 0 HG22 ILE A 51 -8.973 24.422 5.005 1.00 0.00 H new ATOM 0 HG23 ILE A 51 -9.303 26.105 5.481 1.00 0.00 H new ATOM 0 HD11 ILE A 51 -5.424 27.699 6.637 1.00 0.00 H new ATOM 0 HD12 ILE A 51 -5.133 25.970 6.332 1.00 0.00 H new ATOM 0 HD13 ILE A 51 -6.157 26.909 5.221 1.00 0.00 H new ATOM 775 N VAL A 52 -8.896 22.331 6.999 1.00 0.00 N ATOM 776 CA VAL A 52 -9.558 21.140 6.482 1.00 0.00 C ATOM 777 C VAL A 52 -10.834 20.839 7.260 1.00 0.00 C ATOM 778 O VAL A 52 -11.898 20.642 6.675 1.00 0.00 O ATOM 779 CB VAL A 52 -8.631 19.911 6.543 1.00 0.00 C ATOM 780 CG1 VAL A 52 -9.419 18.634 6.295 1.00 0.00 C ATOM 781 CG2 VAL A 52 -7.496 20.050 5.539 1.00 0.00 C ATOM 0 H VAL A 52 -7.905 22.207 7.204 1.00 0.00 H new ATOM 0 HA VAL A 52 -9.810 21.345 5.441 1.00 0.00 H new ATOM 0 HB VAL A 52 -8.198 19.854 7.542 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -8.747 17.777 6.342 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -10.193 18.531 7.056 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -9.882 18.678 5.309 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -6.851 19.173 5.596 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -7.908 20.133 4.533 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -6.915 20.943 5.768 1.00 0.00 H new ATOM 791 N ALA A 53 -10.719 20.805 8.584 1.00 0.00 N ATOM 792 CA ALA A 53 -11.864 20.530 9.443 1.00 0.00 C ATOM 793 C ALA A 53 -13.107 21.266 8.954 1.00 0.00 C ATOM 794 O ALA A 53 -14.206 20.712 8.948 1.00 0.00 O ATOM 795 CB ALA A 53 -11.550 20.918 10.881 1.00 0.00 C ATOM 0 H ALA A 53 -9.845 20.964 9.085 1.00 0.00 H new ATOM 0 HA ALA A 53 -12.068 19.460 9.403 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -12.414 20.707 11.512 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.694 20.343 11.234 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.317 21.982 10.928 1.00 0.00 H new ATOM 801 N SER A 54 -12.925 22.518 8.545 1.00 0.00 N ATOM 802 CA SER A 54 -14.032 23.332 8.058 1.00 0.00 C ATOM 803 C SER A 54 -14.506 22.844 6.693 1.00 0.00 C ATOM 804 O SER A 54 -15.686 22.949 6.358 1.00 0.00 O ATOM 805 CB SER A 54 -13.614 24.800 7.971 1.00 0.00 C ATOM 806 OG SER A 54 -13.038 25.092 6.709 1.00 0.00 O ATOM 0 H SER A 54 -12.021 22.990 8.541 1.00 0.00 H new ATOM 0 HA SER A 54 -14.857 23.238 8.764 1.00 0.00 H new ATOM 0 HB2 SER A 54 -14.482 25.439 8.135 1.00 0.00 H new ATOM 0 HB3 SER A 54 -12.898 25.025 8.762 1.00 0.00 H new ATOM 0 HG SER A 54 -12.168 24.647 6.635 1.00 0.00 H new ATOM 812 N MET A 55 -13.576 22.309 5.907 1.00 0.00 N ATOM 813 CA MET A 55 -13.898 21.803 4.578 1.00 0.00 C ATOM 814 C MET A 55 -14.641 20.474 4.667 1.00 0.00 C ATOM 815 O MET A 55 -15.717 20.314 4.091 1.00 0.00 O ATOM 816 CB MET A 55 -12.622 21.633 3.751 1.00 0.00 C ATOM 817 CG MET A 55 -11.653 22.797 3.882 1.00 0.00 C ATOM 818 SD MET A 55 -10.093 22.501 3.029 1.00 0.00 S ATOM 819 CE MET A 55 -10.668 22.232 1.354 1.00 0.00 C ATOM 0 H MET A 55 -12.594 22.215 6.168 1.00 0.00 H new ATOM 0 HA MET A 55 -14.547 22.529 4.088 1.00 0.00 H new ATOM 0 HB2 MET A 55 -12.119 20.716 4.058 1.00 0.00 H new ATOM 0 HB3 MET A 55 -12.892 21.512 2.702 1.00 0.00 H new ATOM 0 HG2 MET A 55 -12.117 23.698 3.480 1.00 0.00 H new ATOM 0 HG3 MET A 55 -11.456 22.983 4.938 1.00 0.00 H new ATOM 0 HE1 MET A 55 -9.844 22.388 0.657 1.00 0.00 H new ATOM 0 HE2 MET A 55 -11.038 21.211 1.256 1.00 0.00 H new ATOM 0 HE3 MET A 55 -11.472 22.933 1.128 1.00 0.00 H new ATOM 829 N TRP A 56 -14.060 19.524 5.391 1.00 0.00 N ATOM 830 CA TRP A 56 -14.668 18.208 5.555 1.00 0.00 C ATOM 831 C TRP A 56 -16.061 18.324 6.163 1.00 0.00 C ATOM 832 O TRP A 56 -17.028 17.779 5.631 1.00 0.00 O ATOM 833 CB TRP A 56 -13.786 17.322 6.435 1.00 0.00 C ATOM 834 CG TRP A 56 -14.473 16.073 6.898 1.00 0.00 C ATOM 835 CD1 TRP A 56 -15.169 15.904 8.061 1.00 0.00 C ATOM 836 CD2 TRP A 56 -14.528 14.819 6.209 1.00 0.00 C ATOM 837 NE1 TRP A 56 -15.653 14.620 8.137 1.00 0.00 N ATOM 838 CE2 TRP A 56 -15.275 13.935 7.013 1.00 0.00 C ATOM 839 CE3 TRP A 56 -14.021 14.358 4.991 1.00 0.00 C ATOM 840 CZ2 TRP A 56 -15.524 12.618 6.636 1.00 0.00 C ATOM 841 CZ3 TRP A 56 -14.270 13.050 4.619 1.00 0.00 C ATOM 842 CH2 TRP A 56 -15.016 12.193 5.439 1.00 0.00 C ATOM 0 H TRP A 56 -13.169 19.640 5.874 1.00 0.00 H new ATOM 0 HA TRP A 56 -14.759 17.752 4.569 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -12.888 17.050 5.880 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -13.462 17.894 7.305 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -15.317 16.667 8.811 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -16.204 14.239 8.906 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -13.445 15.011 4.352 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -16.098 11.955 7.266 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -13.883 12.682 3.680 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -15.193 11.177 5.120 1.00 0.00 H new ATOM 853 N ASP A 57 -16.157 19.037 7.280 1.00 0.00 N ATOM 854 CA ASP A 57 -17.433 19.225 7.961 1.00 0.00 C ATOM 855 C ASP A 57 -18.475 19.807 7.010 1.00 0.00 C ATOM 856 O ASP A 57 -19.673 19.759 7.283 1.00 0.00 O ATOM 857 CB ASP A 57 -17.259 20.144 9.171 1.00 0.00 C ATOM 858 CG ASP A 57 -18.207 19.798 10.302 1.00 0.00 C ATOM 859 OD1 ASP A 57 -19.287 19.238 10.021 1.00 0.00 O ATOM 860 OD2 ASP A 57 -17.868 20.085 11.469 1.00 0.00 O ATOM 0 H ASP A 57 -15.366 19.495 7.733 1.00 0.00 H new ATOM 0 HA ASP A 57 -17.782 18.251 8.302 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -16.232 20.078 9.529 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -17.424 21.177 8.866 1.00 0.00 H new ATOM 865 N GLY A 58 -18.008 20.357 5.893 1.00 0.00 N ATOM 866 CA GLY A 58 -18.912 20.941 4.920 1.00 0.00 C ATOM 867 C GLY A 58 -18.816 20.270 3.564 1.00 0.00 C ATOM 868 O GLY A 58 -19.070 20.896 2.534 1.00 0.00 O ATOM 0 H GLY A 58 -17.020 20.408 5.645 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -19.935 20.865 5.288 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -18.690 22.003 4.813 1.00 0.00 H new ATOM 872 N LEU A 59 -18.448 18.994 3.562 1.00 0.00 N ATOM 873 CA LEU A 59 -18.317 18.237 2.321 1.00 0.00 C ATOM 874 C LEU A 59 -19.658 17.645 1.900 1.00 0.00 C ATOM 875 O LEU A 59 -20.634 17.699 2.648 1.00 0.00 O ATOM 876 CB LEU A 59 -17.284 17.122 2.488 1.00 0.00 C ATOM 877 CG LEU A 59 -16.148 17.101 1.465 1.00 0.00 C ATOM 878 CD1 LEU A 59 -15.020 18.024 1.901 1.00 0.00 C ATOM 879 CD2 LEU A 59 -15.632 15.683 1.268 1.00 0.00 C ATOM 0 H LEU A 59 -18.235 18.461 4.405 1.00 0.00 H new ATOM 0 HA LEU A 59 -17.982 18.920 1.541 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -16.848 17.204 3.484 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -17.803 16.164 2.445 1.00 0.00 H new ATOM 0 HG LEU A 59 -16.537 17.460 0.512 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -14.220 17.996 1.161 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -15.397 19.043 1.990 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -14.633 17.695 2.866 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -14.824 15.688 0.536 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -15.260 15.296 2.217 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -16.442 15.048 0.909 1.00 0.00 H new ATOM 891 N GLY A 60 -19.699 17.079 0.698 1.00 0.00 N ATOM 892 CA GLY A 60 -20.924 16.482 0.200 1.00 0.00 C ATOM 893 C GLY A 60 -21.146 15.081 0.733 1.00 0.00 C ATOM 894 O GLY A 60 -20.224 14.266 0.754 1.00 0.00 O ATOM 0 H GLY A 60 -18.905 17.023 0.060 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -21.770 17.111 0.478 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -20.893 16.452 -0.889 1.00 0.00 H new ATOM 898 N GLU A 61 -22.371 14.800 1.165 1.00 0.00 N ATOM 899 CA GLU A 61 -22.709 13.488 1.703 1.00 0.00 C ATOM 900 C GLU A 61 -22.071 12.379 0.872 1.00 0.00 C ATOM 901 O GLU A 61 -21.519 11.422 1.414 1.00 0.00 O ATOM 902 CB GLU A 61 -24.227 13.303 1.741 1.00 0.00 C ATOM 903 CG GLU A 61 -24.824 13.456 3.130 1.00 0.00 C ATOM 904 CD GLU A 61 -26.158 12.749 3.273 1.00 0.00 C ATOM 905 OE1 GLU A 61 -26.184 11.505 3.162 1.00 0.00 O ATOM 906 OE2 GLU A 61 -27.175 13.438 3.496 1.00 0.00 O ATOM 0 H GLU A 61 -23.146 15.463 1.153 1.00 0.00 H new ATOM 0 HA GLU A 61 -22.318 13.428 2.719 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -24.690 14.030 1.074 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -24.474 12.314 1.356 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -24.126 13.059 3.867 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -24.953 14.515 3.351 1.00 0.00 H new ATOM 913 N GLU A 62 -22.153 12.515 -0.448 1.00 0.00 N ATOM 914 CA GLU A 62 -21.586 11.524 -1.355 1.00 0.00 C ATOM 915 C GLU A 62 -20.072 11.436 -1.186 1.00 0.00 C ATOM 916 O GLU A 62 -19.504 10.345 -1.142 1.00 0.00 O ATOM 917 CB GLU A 62 -21.930 11.870 -2.805 1.00 0.00 C ATOM 918 CG GLU A 62 -21.475 10.820 -3.805 1.00 0.00 C ATOM 919 CD GLU A 62 -22.220 10.910 -5.123 1.00 0.00 C ATOM 920 OE1 GLU A 62 -22.624 12.029 -5.502 1.00 0.00 O ATOM 921 OE2 GLU A 62 -22.398 9.860 -5.776 1.00 0.00 O ATOM 0 H GLU A 62 -22.606 13.302 -0.913 1.00 0.00 H new ATOM 0 HA GLU A 62 -22.019 10.554 -1.109 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -23.009 12.000 -2.893 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -21.472 12.826 -3.060 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -20.407 10.935 -3.987 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -21.620 9.828 -3.377 1.00 0.00 H new ATOM 928 N GLN A 63 -19.425 12.594 -1.094 1.00 0.00 N ATOM 929 CA GLN A 63 -17.977 12.648 -0.932 1.00 0.00 C ATOM 930 C GLN A 63 -17.554 12.037 0.400 1.00 0.00 C ATOM 931 O GLN A 63 -16.540 11.345 0.484 1.00 0.00 O ATOM 932 CB GLN A 63 -17.486 14.095 -1.021 1.00 0.00 C ATOM 933 CG GLN A 63 -17.934 14.812 -2.284 1.00 0.00 C ATOM 934 CD GLN A 63 -17.359 16.210 -2.395 1.00 0.00 C ATOM 935 OE1 GLN A 63 -16.142 16.394 -2.408 1.00 0.00 O ATOM 936 NE2 GLN A 63 -18.234 17.206 -2.477 1.00 0.00 N ATOM 0 H GLN A 63 -19.880 13.506 -1.129 1.00 0.00 H new ATOM 0 HA GLN A 63 -17.526 12.068 -1.737 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -17.847 14.646 -0.153 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -16.397 14.104 -0.975 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -17.633 14.229 -3.155 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -19.022 14.868 -2.299 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -19.235 17.008 -2.463 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -17.905 18.168 -2.554 1.00 0.00 H new ATOM 945 N LYS A 64 -18.339 12.297 1.440 1.00 0.00 N ATOM 946 CA LYS A 64 -18.048 11.771 2.769 1.00 0.00 C ATOM 947 C LYS A 64 -18.114 10.248 2.778 1.00 0.00 C ATOM 948 O LYS A 64 -17.301 9.587 3.423 1.00 0.00 O ATOM 949 CB LYS A 64 -19.034 12.341 3.792 1.00 0.00 C ATOM 950 CG LYS A 64 -18.642 13.712 4.316 1.00 0.00 C ATOM 951 CD LYS A 64 -19.293 14.003 5.658 1.00 0.00 C ATOM 952 CE LYS A 64 -18.660 15.209 6.334 1.00 0.00 C ATOM 953 NZ LYS A 64 -19.394 15.601 7.569 1.00 0.00 N ATOM 0 H LYS A 64 -19.182 12.869 1.388 1.00 0.00 H new ATOM 0 HA LYS A 64 -17.037 12.074 3.039 1.00 0.00 H new ATOM 0 HB2 LYS A 64 -20.022 12.404 3.336 1.00 0.00 H new ATOM 0 HB3 LYS A 64 -19.114 11.650 4.631 1.00 0.00 H new ATOM 0 HG2 LYS A 64 -17.558 13.768 4.417 1.00 0.00 H new ATOM 0 HG3 LYS A 64 -18.935 14.475 3.595 1.00 0.00 H new ATOM 0 HD2 LYS A 64 -20.359 14.182 5.515 1.00 0.00 H new ATOM 0 HD3 LYS A 64 -19.200 13.131 6.305 1.00 0.00 H new ATOM 0 HE2 LYS A 64 -17.623 14.983 6.584 1.00 0.00 H new ATOM 0 HE3 LYS A 64 -18.644 16.048 5.639 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 -18.932 16.427 8.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 -20.377 15.841 7.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 -19.387 14.809 8.243 1.00 0.00 H new ATOM 967 N GLN A 65 -19.086 9.697 2.057 1.00 0.00 N ATOM 968 CA GLN A 65 -19.256 8.251 1.983 1.00 0.00 C ATOM 969 C GLN A 65 -18.045 7.594 1.330 1.00 0.00 C ATOM 970 O GLN A 65 -17.309 6.846 1.973 1.00 0.00 O ATOM 971 CB GLN A 65 -20.523 7.905 1.200 1.00 0.00 C ATOM 972 CG GLN A 65 -21.800 8.402 1.858 1.00 0.00 C ATOM 973 CD GLN A 65 -22.606 7.283 2.488 1.00 0.00 C ATOM 974 OE1 GLN A 65 -22.875 7.297 3.690 1.00 0.00 O ATOM 975 NE2 GLN A 65 -22.995 6.305 1.678 1.00 0.00 N ATOM 0 H GLN A 65 -19.767 10.230 1.516 1.00 0.00 H new ATOM 0 HA GLN A 65 -19.350 7.869 2.999 1.00 0.00 H new ATOM 0 HB2 GLN A 65 -20.450 8.332 0.200 1.00 0.00 H new ATOM 0 HB3 GLN A 65 -20.583 6.823 1.081 1.00 0.00 H new ATOM 0 HG2 GLN A 65 -21.548 9.138 2.622 1.00 0.00 H new ATOM 0 HG3 GLN A 65 -22.413 8.912 1.114 1.00 0.00 H new ATOM 0 HE21 GLN A 65 -22.749 6.334 0.688 1.00 0.00 H new ATOM 0 HE22 GLN A 65 -23.539 5.525 2.045 1.00 0.00 H new ATOM 984 N VAL A 66 -17.844 7.877 0.047 1.00 0.00 N ATOM 985 CA VAL A 66 -16.721 7.314 -0.694 1.00 0.00 C ATOM 986 C VAL A 66 -15.487 7.187 0.191 1.00 0.00 C ATOM 987 O VAL A 66 -14.825 6.149 0.206 1.00 0.00 O ATOM 988 CB VAL A 66 -16.371 8.175 -1.923 1.00 0.00 C ATOM 989 CG1 VAL A 66 -16.323 9.648 -1.547 1.00 0.00 C ATOM 990 CG2 VAL A 66 -15.050 7.726 -2.528 1.00 0.00 C ATOM 0 H VAL A 66 -18.444 8.493 -0.501 1.00 0.00 H new ATOM 0 HA VAL A 66 -17.028 6.323 -1.029 1.00 0.00 H new ATOM 0 HB VAL A 66 -17.151 8.042 -2.673 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -16.074 10.240 -2.428 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -17.295 9.958 -1.164 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -15.565 9.803 -0.780 1.00 0.00 H new ATOM 0 HG21 VAL A 66 -14.818 8.345 -3.395 1.00 0.00 H new ATOM 0 HG22 VAL A 66 -14.257 7.828 -1.787 1.00 0.00 H new ATOM 0 HG23 VAL A 66 -15.127 6.683 -2.836 1.00 0.00 H new ATOM 1000 N TYR A 67 -15.183 8.249 0.929 1.00 0.00 N ATOM 1001 CA TYR A 67 -14.026 8.257 1.817 1.00 0.00 C ATOM 1002 C TYR A 67 -14.129 7.144 2.856 1.00 0.00 C ATOM 1003 O TYR A 67 -13.151 6.454 3.144 1.00 0.00 O ATOM 1004 CB TYR A 67 -13.903 9.612 2.515 1.00 0.00 C ATOM 1005 CG TYR A 67 -13.335 10.699 1.631 1.00 0.00 C ATOM 1006 CD1 TYR A 67 -12.128 10.522 0.967 1.00 0.00 C ATOM 1007 CD2 TYR A 67 -14.006 11.904 1.460 1.00 0.00 C ATOM 1008 CE1 TYR A 67 -11.605 11.513 0.159 1.00 0.00 C ATOM 1009 CE2 TYR A 67 -13.492 12.900 0.653 1.00 0.00 C ATOM 1010 CZ TYR A 67 -12.291 12.700 0.004 1.00 0.00 C ATOM 1011 OH TYR A 67 -11.775 13.690 -0.800 1.00 0.00 O ATOM 0 H TYR A 67 -15.721 9.115 0.930 1.00 0.00 H new ATOM 0 HA TYR A 67 -13.135 8.084 1.214 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -14.887 9.920 2.868 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -13.269 9.502 3.394 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -11.589 9.594 1.084 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -14.946 12.064 1.967 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -10.664 11.359 -0.349 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.027 13.830 0.531 1.00 0.00 H new ATOM 0 HH TYR A 67 -12.473 14.350 -0.994 1.00 0.00 H new ATOM 1021 N LYS A 68 -15.322 6.975 3.415 1.00 0.00 N ATOM 1022 CA LYS A 68 -15.557 5.946 4.421 1.00 0.00 C ATOM 1023 C LYS A 68 -15.461 4.553 3.807 1.00 0.00 C ATOM 1024 O LYS A 68 -14.743 3.689 4.310 1.00 0.00 O ATOM 1025 CB LYS A 68 -16.932 6.137 5.066 1.00 0.00 C ATOM 1026 CG LYS A 68 -17.117 7.501 5.709 1.00 0.00 C ATOM 1027 CD LYS A 68 -17.212 7.395 7.222 1.00 0.00 C ATOM 1028 CE LYS A 68 -18.004 8.552 7.812 1.00 0.00 C ATOM 1029 NZ LYS A 68 -19.365 8.129 8.244 1.00 0.00 N ATOM 0 H LYS A 68 -16.142 7.538 3.188 1.00 0.00 H new ATOM 0 HA LYS A 68 -14.787 6.040 5.187 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -17.703 5.994 4.308 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -17.080 5.365 5.821 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -16.282 8.147 5.440 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -18.021 7.969 5.319 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -17.687 6.452 7.493 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -16.210 7.382 7.651 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -17.464 8.964 8.664 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -18.089 9.349 7.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -19.873 8.945 8.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -19.890 7.759 7.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -19.284 7.387 8.968 1.00 0.00 H new ATOM 1043 N LYS A 69 -16.189 4.341 2.716 1.00 0.00 N ATOM 1044 CA LYS A 69 -16.185 3.054 2.030 1.00 0.00 C ATOM 1045 C LYS A 69 -14.763 2.632 1.675 1.00 0.00 C ATOM 1046 O LYS A 69 -14.392 1.469 1.835 1.00 0.00 O ATOM 1047 CB LYS A 69 -17.039 3.126 0.762 1.00 0.00 C ATOM 1048 CG LYS A 69 -18.273 3.999 0.908 1.00 0.00 C ATOM 1049 CD LYS A 69 -19.017 3.701 2.200 1.00 0.00 C ATOM 1050 CE LYS A 69 -19.803 2.403 2.104 1.00 0.00 C ATOM 1051 NZ LYS A 69 -21.190 2.629 1.611 1.00 0.00 N ATOM 0 H LYS A 69 -16.790 5.045 2.287 1.00 0.00 H new ATOM 0 HA LYS A 69 -16.609 2.309 2.704 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -16.428 3.509 -0.056 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -17.348 2.118 0.485 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -17.981 5.049 0.889 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -18.937 3.837 0.059 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -18.306 3.637 3.024 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -19.696 4.523 2.428 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -19.287 1.715 1.434 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -19.839 1.927 3.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -21.693 1.720 1.560 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -21.691 3.265 2.263 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -21.156 3.060 0.665 1.00 0.00 H new ATOM 1065 N LYS A 70 -13.971 3.583 1.193 1.00 0.00 N ATOM 1066 CA LYS A 70 -12.589 3.311 0.818 1.00 0.00 C ATOM 1067 C LYS A 70 -11.772 2.871 2.029 1.00 0.00 C ATOM 1068 O LYS A 70 -11.130 1.820 2.009 1.00 0.00 O ATOM 1069 CB LYS A 70 -11.956 4.554 0.188 1.00 0.00 C ATOM 1070 CG LYS A 70 -12.418 4.817 -1.235 1.00 0.00 C ATOM 1071 CD LYS A 70 -11.319 5.452 -2.070 1.00 0.00 C ATOM 1072 CE LYS A 70 -11.891 6.362 -3.146 1.00 0.00 C ATOM 1073 NZ LYS A 70 -11.387 6.006 -4.501 1.00 0.00 N ATOM 0 H LYS A 70 -14.263 4.550 1.053 1.00 0.00 H new ATOM 0 HA LYS A 70 -12.590 2.501 0.089 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -12.190 5.422 0.804 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -10.872 4.442 0.194 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -12.731 3.880 -1.696 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -13.289 5.472 -1.220 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -10.654 6.025 -1.423 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -10.717 4.671 -2.535 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -12.979 6.297 -3.135 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -11.631 7.397 -2.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.801 6.650 -5.205 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -10.351 6.092 -4.520 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -11.657 5.027 -4.726 1.00 0.00 H new ATOM 1087 N THR A 71 -11.803 3.680 3.083 1.00 0.00 N ATOM 1088 CA THR A 71 -11.066 3.373 4.303 1.00 0.00 C ATOM 1089 C THR A 71 -11.067 1.875 4.584 1.00 0.00 C ATOM 1090 O THR A 71 -10.051 1.309 4.986 1.00 0.00 O ATOM 1091 CB THR A 71 -11.659 4.112 5.518 1.00 0.00 C ATOM 1092 OG1 THR A 71 -12.159 5.393 5.116 1.00 0.00 O ATOM 1093 CG2 THR A 71 -10.612 4.290 6.607 1.00 0.00 C ATOM 0 H THR A 71 -12.330 4.553 3.117 1.00 0.00 H new ATOM 0 HA THR A 71 -10.041 3.710 4.146 1.00 0.00 H new ATOM 0 HB THR A 71 -12.477 3.512 5.917 1.00 0.00 H new ATOM 0 HG1 THR A 71 -12.929 5.272 4.522 1.00 0.00 H new ATOM 0 HG21 THR A 71 -11.054 4.814 7.454 1.00 0.00 H new ATOM 0 HG22 THR A 71 -10.254 3.313 6.931 1.00 0.00 H new ATOM 0 HG23 THR A 71 -9.776 4.871 6.217 1.00 0.00 H new ATOM 1101 N GLU A 72 -12.214 1.238 4.369 1.00 0.00 N ATOM 1102 CA GLU A 72 -12.346 -0.196 4.600 1.00 0.00 C ATOM 1103 C GLU A 72 -11.613 -0.990 3.523 1.00 0.00 C ATOM 1104 O GLU A 72 -10.880 -1.932 3.822 1.00 0.00 O ATOM 1105 CB GLU A 72 -13.822 -0.597 4.630 1.00 0.00 C ATOM 1106 CG GLU A 72 -14.542 -0.177 5.900 1.00 0.00 C ATOM 1107 CD GLU A 72 -15.166 -1.349 6.632 1.00 0.00 C ATOM 1108 OE1 GLU A 72 -15.431 -2.381 5.981 1.00 0.00 O ATOM 1109 OE2 GLU A 72 -15.389 -1.234 7.855 1.00 0.00 O ATOM 0 H GLU A 72 -13.064 1.692 4.036 1.00 0.00 H new ATOM 0 HA GLU A 72 -11.896 -0.425 5.566 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -14.328 -0.153 3.772 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -13.898 -1.679 4.520 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -13.838 0.327 6.562 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -15.319 0.546 5.651 1.00 0.00 H new ATOM 1116 N ALA A 73 -11.817 -0.602 2.268 1.00 0.00 N ATOM 1117 CA ALA A 73 -11.176 -1.276 1.146 1.00 0.00 C ATOM 1118 C ALA A 73 -9.659 -1.133 1.215 1.00 0.00 C ATOM 1119 O ALA A 73 -8.923 -1.972 0.696 1.00 0.00 O ATOM 1120 CB ALA A 73 -11.701 -0.725 -0.171 1.00 0.00 C ATOM 0 H ALA A 73 -12.421 0.176 2.003 1.00 0.00 H new ATOM 0 HA ALA A 73 -11.418 -2.337 1.205 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -11.213 -1.238 -1.000 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -12.778 -0.884 -0.229 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -11.489 0.343 -0.229 1.00 0.00 H new ATOM 1126 N ALA A 74 -9.199 -0.064 1.856 1.00 0.00 N ATOM 1127 CA ALA A 74 -7.770 0.188 1.993 1.00 0.00 C ATOM 1128 C ALA A 74 -7.235 -0.380 3.303 1.00 0.00 C ATOM 1129 O ALA A 74 -6.081 -0.801 3.385 1.00 0.00 O ATOM 1130 CB ALA A 74 -7.486 1.680 1.908 1.00 0.00 C ATOM 0 H ALA A 74 -9.795 0.642 2.289 1.00 0.00 H new ATOM 0 HA ALA A 74 -7.258 -0.315 1.173 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -6.415 1.853 2.012 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -7.823 2.060 0.944 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -8.016 2.197 2.707 1.00 0.00 H new ATOM 1136 N LYS A 75 -8.080 -0.388 4.328 1.00 0.00 N ATOM 1137 CA LYS A 75 -7.694 -0.904 5.636 1.00 0.00 C ATOM 1138 C LYS A 75 -7.601 -2.427 5.614 1.00 0.00 C ATOM 1139 O LYS A 75 -6.560 -3.000 5.934 1.00 0.00 O ATOM 1140 CB LYS A 75 -8.699 -0.460 6.700 1.00 0.00 C ATOM 1141 CG LYS A 75 -8.733 -1.364 7.921 1.00 0.00 C ATOM 1142 CD LYS A 75 -8.701 -0.561 9.210 1.00 0.00 C ATOM 1143 CE LYS A 75 -9.960 0.276 9.377 1.00 0.00 C ATOM 1144 NZ LYS A 75 -9.644 1.714 9.602 1.00 0.00 N ATOM 0 H LYS A 75 -9.038 -0.042 4.278 1.00 0.00 H new ATOM 0 HA LYS A 75 -6.712 -0.500 5.882 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.456 0.554 7.016 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -9.694 -0.426 6.256 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.634 -1.977 7.896 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -7.882 -2.045 7.894 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -8.597 -1.237 10.059 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -7.827 0.090 9.213 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.583 0.176 8.488 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -10.540 -0.104 10.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.528 2.251 9.711 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -9.071 1.813 10.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -9.112 2.084 8.788 1.00 0.00 H new ATOM 1158 N LYS A 76 -8.695 -3.076 5.232 1.00 0.00 N ATOM 1159 CA LYS A 76 -8.738 -4.532 5.165 1.00 0.00 C ATOM 1160 C LYS A 76 -7.594 -5.071 4.311 1.00 0.00 C ATOM 1161 O LYS A 76 -6.914 -6.021 4.697 1.00 0.00 O ATOM 1162 CB LYS A 76 -10.078 -4.998 4.593 1.00 0.00 C ATOM 1163 CG LYS A 76 -10.792 -6.014 5.468 1.00 0.00 C ATOM 1164 CD LYS A 76 -12.166 -5.520 5.889 1.00 0.00 C ATOM 1165 CE LYS A 76 -12.500 -5.944 7.311 1.00 0.00 C ATOM 1166 NZ LYS A 76 -13.235 -4.880 8.049 1.00 0.00 N ATOM 0 H LYS A 76 -9.565 -2.616 4.964 1.00 0.00 H new ATOM 0 HA LYS A 76 -8.628 -4.921 6.177 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -10.725 -4.132 4.454 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.911 -5.433 3.607 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -10.893 -6.955 4.927 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -10.191 -6.219 6.354 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -12.201 -4.433 5.815 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -12.919 -5.911 5.205 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -13.103 -6.852 7.287 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.580 -6.186 7.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -13.444 -5.208 9.014 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -12.650 -4.021 8.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -14.125 -4.667 7.555 1.00 0.00 H new ATOM 1180 N GLU A 77 -7.388 -4.456 3.151 1.00 0.00 N ATOM 1181 CA GLU A 77 -6.325 -4.875 2.244 1.00 0.00 C ATOM 1182 C GLU A 77 -4.956 -4.717 2.899 1.00 0.00 C ATOM 1183 O GLU A 77 -4.136 -5.635 2.879 1.00 0.00 O ATOM 1184 CB GLU A 77 -6.380 -4.062 0.949 1.00 0.00 C ATOM 1185 CG GLU A 77 -5.438 -2.870 0.938 1.00 0.00 C ATOM 1186 CD GLU A 77 -5.415 -2.156 -0.399 1.00 0.00 C ATOM 1187 OE1 GLU A 77 -6.485 -1.687 -0.840 1.00 0.00 O ATOM 1188 OE2 GLU A 77 -4.326 -2.066 -1.004 1.00 0.00 O ATOM 0 H GLU A 77 -7.942 -3.667 2.817 1.00 0.00 H new ATOM 0 HA GLU A 77 -6.477 -5.929 2.010 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -6.137 -4.714 0.110 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -7.400 -3.710 0.794 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -5.738 -2.167 1.715 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -4.430 -3.206 1.184 1.00 0.00 H new ATOM 1195 N TYR A 78 -4.717 -3.546 3.479 1.00 0.00 N ATOM 1196 CA TYR A 78 -3.447 -3.265 4.138 1.00 0.00 C ATOM 1197 C TYR A 78 -2.977 -4.468 4.950 1.00 0.00 C ATOM 1198 O TYR A 78 -1.812 -4.863 4.880 1.00 0.00 O ATOM 1199 CB TYR A 78 -3.580 -2.042 5.048 1.00 0.00 C ATOM 1200 CG TYR A 78 -2.428 -1.879 6.014 1.00 0.00 C ATOM 1201 CD1 TYR A 78 -1.114 -1.865 5.563 1.00 0.00 C ATOM 1202 CD2 TYR A 78 -2.655 -1.736 7.377 1.00 0.00 C ATOM 1203 CE1 TYR A 78 -0.059 -1.716 6.443 1.00 0.00 C ATOM 1204 CE2 TYR A 78 -1.606 -1.586 8.264 1.00 0.00 C ATOM 1205 CZ TYR A 78 -0.310 -1.577 7.792 1.00 0.00 C ATOM 1206 OH TYR A 78 0.738 -1.427 8.671 1.00 0.00 O ATOM 0 H TYR A 78 -5.386 -2.776 3.506 1.00 0.00 H new ATOM 0 HA TYR A 78 -2.705 -3.057 3.367 1.00 0.00 H new ATOM 0 HB2 TYR A 78 -3.655 -1.147 4.431 1.00 0.00 H new ATOM 0 HB3 TYR A 78 -4.509 -2.119 5.613 1.00 0.00 H new ATOM 0 HD1 TYR A 78 -0.914 -1.972 4.507 1.00 0.00 H new ATOM 0 HD2 TYR A 78 -3.669 -1.742 7.750 1.00 0.00 H new ATOM 0 HE1 TYR A 78 0.957 -1.708 6.076 1.00 0.00 H new ATOM 0 HE2 TYR A 78 -1.800 -1.476 9.321 1.00 0.00 H new ATOM 0 HH TYR A 78 0.390 -1.341 9.583 1.00 0.00 H new ATOM 1216 N LEU A 79 -3.891 -5.048 5.720 1.00 0.00 N ATOM 1217 CA LEU A 79 -3.572 -6.207 6.546 1.00 0.00 C ATOM 1218 C LEU A 79 -3.205 -7.408 5.680 1.00 0.00 C ATOM 1219 O LEU A 79 -2.225 -8.104 5.948 1.00 0.00 O ATOM 1220 CB LEU A 79 -4.758 -6.557 7.447 1.00 0.00 C ATOM 1221 CG LEU A 79 -4.966 -5.655 8.664 1.00 0.00 C ATOM 1222 CD1 LEU A 79 -5.512 -4.302 8.238 1.00 0.00 C ATOM 1223 CD2 LEU A 79 -5.899 -6.318 9.666 1.00 0.00 C ATOM 0 H LEU A 79 -4.859 -4.735 5.790 1.00 0.00 H new ATOM 0 HA LEU A 79 -2.713 -5.954 7.168 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -5.666 -6.535 6.844 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -4.633 -7.582 7.797 1.00 0.00 H new ATOM 0 HG LEU A 79 -4.001 -5.499 9.146 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -5.654 -3.674 9.117 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -4.807 -3.822 7.559 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -6.468 -4.438 7.732 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -6.035 -5.662 10.526 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -6.864 -6.505 9.196 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -5.467 -7.263 9.996 1.00 0.00 H new