USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 507 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 57 ASN : amide:sc= 0.597 X(o=1.1,f=1.1) USER MOD Set 1.2: A 75 TYR OH : rot 100:sc= 0.532 USER MOD Set 2.1: A 31 LYS NZ :NH3+ 175:sc= 0.559 (180deg=0) USER MOD Set 2.2: A 33 HIS : no HE2:sc= 1.46 K(o=2,f=-4.4!) USER MOD Single : A 20 LYS NZ :NH3+ -174:sc= 1.44 (180deg=1.37) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0.0624 USER MOD Single : A 23 SER OG : rot 10:sc= 0.663 USER MOD Single : A 24 TYR OH : rot 130:sc= 0 USER MOD Single : A 51 HIS : no HE2:sc= 0.845 K(o=0.84,f=-5!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.037 X(o=-0.037,f=-0.46) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.585 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 ASN : amide:sc= -0.0397 K(o=-0.04,f=-5.6!) USER MOD Single : A 81 ASN : amide:sc= 1.15 K(o=1.2,f=-0.34) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 290 N LYS A 20 -8.848 -6.171 -4.056 1.00 0.00 N ATOM 291 CA LYS A 20 -8.800 -6.147 -5.517 1.00 0.00 C ATOM 292 C LYS A 20 -7.752 -7.158 -5.982 1.00 0.00 C ATOM 293 O LYS A 20 -6.711 -7.300 -5.341 1.00 0.00 O ATOM 294 CB LYS A 20 -8.462 -4.711 -5.967 1.00 0.00 C ATOM 295 CG LYS A 20 -8.419 -4.569 -7.495 1.00 0.00 C ATOM 296 CD LYS A 20 -7.865 -3.211 -7.947 1.00 0.00 C ATOM 297 CE LYS A 20 -7.467 -3.237 -9.433 1.00 0.00 C ATOM 298 NZ LYS A 20 -6.304 -4.126 -9.707 1.00 0.00 N ATOM 0 HA LYS A 20 -9.757 -6.425 -5.960 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -9.204 -4.023 -5.562 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.497 -4.421 -5.551 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.803 -5.366 -7.913 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -9.424 -4.699 -7.897 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -8.615 -2.437 -7.782 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -6.998 -2.949 -7.340 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -8.319 -3.569 -10.026 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -7.228 -2.224 -9.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -6.017 -4.026 -10.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -5.511 -3.860 -9.090 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -6.571 -5.114 -9.521 1.00 0.00 H new ATOM 312 N THR A 21 -8.018 -7.857 -7.081 1.00 0.00 N ATOM 313 CA THR A 21 -7.084 -8.760 -7.739 1.00 0.00 C ATOM 314 C THR A 21 -5.971 -7.973 -8.448 1.00 0.00 C ATOM 315 O THR A 21 -6.208 -6.887 -8.991 1.00 0.00 O ATOM 316 CB THR A 21 -7.867 -9.658 -8.717 1.00 0.00 C ATOM 317 OG1 THR A 21 -8.921 -8.938 -9.344 1.00 0.00 O ATOM 318 CG2 THR A 21 -8.489 -10.842 -7.969 1.00 0.00 C ATOM 0 H THR A 21 -8.921 -7.808 -7.553 1.00 0.00 H new ATOM 0 HA THR A 21 -6.595 -9.392 -6.998 1.00 0.00 H new ATOM 0 HB THR A 21 -7.161 -10.007 -9.470 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.400 -9.530 -9.960 1.00 0.00 H new ATOM 0 HG21 THR A 21 -9.039 -11.468 -8.672 1.00 0.00 H new ATOM 0 HG22 THR A 21 -7.701 -11.430 -7.499 1.00 0.00 H new ATOM 0 HG23 THR A 21 -9.170 -10.471 -7.203 1.00 0.00 H new ATOM 326 N PHE A 22 -4.757 -8.524 -8.468 1.00 0.00 N ATOM 327 CA PHE A 22 -3.616 -8.006 -9.215 1.00 0.00 C ATOM 328 C PHE A 22 -2.852 -9.185 -9.826 1.00 0.00 C ATOM 329 O PHE A 22 -2.975 -10.332 -9.387 1.00 0.00 O ATOM 330 CB PHE A 22 -2.699 -7.170 -8.304 1.00 0.00 C ATOM 331 CG PHE A 22 -3.254 -5.821 -7.879 1.00 0.00 C ATOM 332 CD1 PHE A 22 -4.068 -5.715 -6.736 1.00 0.00 C ATOM 333 CD2 PHE A 22 -2.924 -4.659 -8.605 1.00 0.00 C ATOM 334 CE1 PHE A 22 -4.536 -4.459 -6.311 1.00 0.00 C ATOM 335 CE2 PHE A 22 -3.394 -3.402 -8.181 1.00 0.00 C ATOM 336 CZ PHE A 22 -4.191 -3.301 -7.028 1.00 0.00 C ATOM 0 H PHE A 22 -4.536 -9.372 -7.946 1.00 0.00 H new ATOM 0 HA PHE A 22 -3.968 -7.350 -10.011 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.478 -7.751 -7.409 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.753 -7.008 -8.820 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -4.335 -6.603 -6.182 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -2.309 -4.733 -9.489 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -5.161 -4.384 -5.433 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.142 -2.514 -8.742 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.538 -2.334 -6.693 1.00 0.00 H new ATOM 346 N SER A 23 -2.069 -8.901 -10.862 1.00 0.00 N ATOM 347 CA SER A 23 -1.154 -9.804 -11.553 1.00 0.00 C ATOM 348 C SER A 23 -0.128 -8.922 -12.279 1.00 0.00 C ATOM 349 O SER A 23 -0.269 -7.694 -12.277 1.00 0.00 O ATOM 350 CB SER A 23 -1.920 -10.683 -12.551 1.00 0.00 C ATOM 351 OG SER A 23 -2.865 -11.505 -11.889 1.00 0.00 O ATOM 0 H SER A 23 -2.056 -7.966 -11.270 1.00 0.00 H new ATOM 0 HA SER A 23 -0.659 -10.475 -10.851 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.430 -10.052 -13.279 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.218 -11.305 -13.105 1.00 0.00 H new ATOM 0 HG SER A 23 -2.944 -11.224 -10.953 1.00 0.00 H new ATOM 357 N TYR A 24 0.888 -9.521 -12.906 1.00 0.00 N ATOM 358 CA TYR A 24 2.004 -8.801 -13.513 1.00 0.00 C ATOM 359 C TYR A 24 2.397 -9.493 -14.832 1.00 0.00 C ATOM 360 O TYR A 24 2.082 -10.678 -14.994 1.00 0.00 O ATOM 361 CB TYR A 24 3.179 -8.793 -12.521 1.00 0.00 C ATOM 362 CG TYR A 24 2.834 -8.268 -11.138 1.00 0.00 C ATOM 363 CD1 TYR A 24 2.686 -6.885 -10.922 1.00 0.00 C ATOM 364 CD2 TYR A 24 2.596 -9.173 -10.085 1.00 0.00 C ATOM 365 CE1 TYR A 24 2.278 -6.408 -9.664 1.00 0.00 C ATOM 366 CE2 TYR A 24 2.174 -8.705 -8.828 1.00 0.00 C ATOM 367 CZ TYR A 24 2.007 -7.318 -8.614 1.00 0.00 C ATOM 368 OH TYR A 24 1.582 -6.867 -7.401 1.00 0.00 O ATOM 0 H TYR A 24 0.957 -10.534 -13.006 1.00 0.00 H new ATOM 0 HA TYR A 24 1.724 -7.772 -13.738 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.563 -9.808 -12.425 1.00 0.00 H new ATOM 0 HB3 TYR A 24 3.984 -8.186 -12.936 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.886 -6.189 -11.724 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.738 -10.232 -10.244 1.00 0.00 H new ATOM 0 HE1 TYR A 24 2.171 -5.346 -9.498 1.00 0.00 H new ATOM 0 HE2 TYR A 24 1.978 -9.404 -8.028 1.00 0.00 H new ATOM 0 HH TYR A 24 0.785 -7.367 -7.127 1.00 0.00 H new ATOM 378 N PRO A 25 3.095 -8.817 -15.767 1.00 0.00 N ATOM 379 CA PRO A 25 3.373 -7.381 -15.772 1.00 0.00 C ATOM 380 C PRO A 25 2.075 -6.570 -15.905 1.00 0.00 C ATOM 381 O PRO A 25 1.066 -7.063 -16.416 1.00 0.00 O ATOM 382 CB PRO A 25 4.318 -7.151 -16.956 1.00 0.00 C ATOM 383 CG PRO A 25 3.956 -8.273 -17.927 1.00 0.00 C ATOM 384 CD PRO A 25 3.580 -9.426 -16.998 1.00 0.00 C ATOM 0 HA PRO A 25 3.829 -7.050 -14.839 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.168 -6.169 -17.404 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.363 -7.206 -16.651 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.127 -7.992 -18.577 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.794 -8.533 -18.574 1.00 0.00 H new ATOM 0 HD2 PRO A 25 2.813 -10.055 -17.449 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.441 -10.065 -16.803 1.00 0.00 H new ATOM 392 N LEU A 26 2.099 -5.333 -15.407 1.00 0.00 N ATOM 393 CA LEU A 26 0.947 -4.442 -15.309 1.00 0.00 C ATOM 394 C LEU A 26 1.474 -3.008 -15.237 1.00 0.00 C ATOM 395 O LEU A 26 2.606 -2.788 -14.798 1.00 0.00 O ATOM 396 CB LEU A 26 0.153 -4.808 -14.036 1.00 0.00 C ATOM 397 CG LEU A 26 -1.110 -3.973 -13.745 1.00 0.00 C ATOM 398 CD1 LEU A 26 -2.146 -4.065 -14.874 1.00 0.00 C ATOM 399 CD2 LEU A 26 -1.757 -4.455 -12.442 1.00 0.00 C ATOM 0 H LEU A 26 2.955 -4.910 -15.048 1.00 0.00 H new ATOM 0 HA LEU A 26 0.284 -4.538 -16.169 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.140 -5.855 -14.107 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.823 -4.722 -13.180 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.795 -2.933 -13.661 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -3.016 -3.459 -14.620 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.707 -3.698 -15.802 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.452 -5.103 -15.003 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.650 -3.863 -12.238 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -2.032 -5.505 -12.539 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.050 -4.340 -11.620 1.00 0.00 H new ATOM 411 N ASP A 27 0.656 -2.031 -15.629 1.00 0.00 N ATOM 412 CA ASP A 27 0.925 -0.600 -15.462 1.00 0.00 C ATOM 413 C ASP A 27 0.696 -0.183 -13.999 1.00 0.00 C ATOM 414 O ASP A 27 -0.185 0.619 -13.685 1.00 0.00 O ATOM 415 CB ASP A 27 0.076 0.214 -16.451 1.00 0.00 C ATOM 416 CG ASP A 27 0.360 1.725 -16.354 1.00 0.00 C ATOM 417 OD1 ASP A 27 1.539 2.120 -16.211 1.00 0.00 O ATOM 418 OD2 ASP A 27 -0.591 2.528 -16.491 1.00 0.00 O ATOM 0 H ASP A 27 -0.238 -2.217 -16.084 1.00 0.00 H new ATOM 0 HA ASP A 27 1.970 -0.393 -15.691 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.277 -0.127 -17.466 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.981 0.031 -16.256 1.00 0.00 H new ATOM 423 N LEU A 28 1.433 -0.812 -13.083 1.00 0.00 N ATOM 424 CA LEU A 28 1.383 -0.616 -11.638 1.00 0.00 C ATOM 425 C LEU A 28 2.767 -0.991 -11.113 1.00 0.00 C ATOM 426 O LEU A 28 3.309 -2.029 -11.502 1.00 0.00 O ATOM 427 CB LEU A 28 0.278 -1.517 -11.047 1.00 0.00 C ATOM 428 CG LEU A 28 0.003 -1.447 -9.528 1.00 0.00 C ATOM 429 CD1 LEU A 28 0.999 -2.238 -8.672 1.00 0.00 C ATOM 430 CD2 LEU A 28 -0.119 -0.014 -8.998 1.00 0.00 C ATOM 0 H LEU A 28 2.123 -1.515 -13.349 1.00 0.00 H new ATOM 0 HA LEU A 28 1.144 0.410 -11.357 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.653 -1.282 -11.563 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.526 -2.550 -11.292 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.968 -1.932 -9.426 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.735 -2.136 -7.619 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.966 -3.290 -8.954 1.00 0.00 H new ATOM 0 HD13 LEU A 28 2.005 -1.850 -8.833 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.312 -0.038 -7.925 1.00 0.00 H new ATOM 0 HD22 LEU A 28 0.810 0.524 -9.188 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.942 0.492 -9.503 1.00 0.00 H new ATOM 442 N LEU A 29 3.339 -0.160 -10.243 1.00 0.00 N ATOM 443 CA LEU A 29 4.652 -0.365 -9.641 1.00 0.00 C ATOM 444 C LEU A 29 4.557 0.038 -8.173 1.00 0.00 C ATOM 445 O LEU A 29 3.851 0.993 -7.843 1.00 0.00 O ATOM 446 CB LEU A 29 5.688 0.491 -10.396 1.00 0.00 C ATOM 447 CG LEU A 29 7.143 0.335 -9.904 1.00 0.00 C ATOM 448 CD1 LEU A 29 7.683 -1.084 -10.118 1.00 0.00 C ATOM 449 CD2 LEU A 29 8.039 1.333 -10.647 1.00 0.00 C ATOM 0 H LEU A 29 2.887 0.699 -9.930 1.00 0.00 H new ATOM 0 HA LEU A 29 4.967 -1.407 -9.706 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.648 0.234 -11.454 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.402 1.539 -10.312 1.00 0.00 H new ATOM 0 HG LEU A 29 7.150 0.532 -8.832 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.709 -1.141 -9.756 1.00 0.00 H new ATOM 0 HD12 LEU A 29 7.065 -1.795 -9.570 1.00 0.00 H new ATOM 0 HD13 LEU A 29 7.659 -1.326 -11.181 1.00 0.00 H new ATOM 0 HD21 LEU A 29 9.067 1.226 -10.302 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.993 1.136 -11.718 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.694 2.348 -10.450 1.00 0.00 H new ATOM 461 N LEU A 30 5.288 -0.656 -7.300 1.00 0.00 N ATOM 462 CA LEU A 30 5.311 -0.427 -5.858 1.00 0.00 C ATOM 463 C LEU A 30 6.764 -0.205 -5.421 1.00 0.00 C ATOM 464 O LEU A 30 7.688 -0.676 -6.088 1.00 0.00 O ATOM 465 CB LEU A 30 4.719 -1.630 -5.097 1.00 0.00 C ATOM 466 CG LEU A 30 3.285 -2.071 -5.462 1.00 0.00 C ATOM 467 CD1 LEU A 30 2.887 -3.272 -4.599 1.00 0.00 C ATOM 468 CD2 LEU A 30 2.242 -0.963 -5.279 1.00 0.00 C ATOM 0 H LEU A 30 5.901 -1.419 -7.589 1.00 0.00 H new ATOM 0 HA LEU A 30 4.705 0.449 -5.627 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.381 -2.482 -5.248 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.738 -1.397 -4.032 1.00 0.00 H new ATOM 0 HG LEU A 30 3.298 -2.329 -6.521 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.875 -3.585 -4.855 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.578 -4.095 -4.780 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.925 -2.992 -3.546 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.257 -1.341 -5.553 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.230 -0.643 -4.237 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.496 -0.116 -5.916 1.00 0.00 H new ATOM 480 N LYS A 31 6.971 0.492 -4.300 1.00 0.00 N ATOM 481 CA LYS A 31 8.285 0.801 -3.727 1.00 0.00 C ATOM 482 C LYS A 31 8.211 0.740 -2.206 1.00 0.00 C ATOM 483 O LYS A 31 7.116 0.774 -1.649 1.00 0.00 O ATOM 484 CB LYS A 31 8.787 2.167 -4.248 1.00 0.00 C ATOM 485 CG LYS A 31 7.882 3.396 -4.007 1.00 0.00 C ATOM 486 CD LYS A 31 7.969 4.005 -2.600 1.00 0.00 C ATOM 487 CE LYS A 31 7.142 5.297 -2.487 1.00 0.00 C ATOM 488 NZ LYS A 31 7.770 6.460 -3.171 1.00 0.00 N ATOM 0 H LYS A 31 6.202 0.870 -3.747 1.00 0.00 H new ATOM 0 HA LYS A 31 9.014 0.056 -4.045 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.756 2.367 -3.790 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.954 2.077 -5.321 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.139 4.165 -4.735 1.00 0.00 H new ATOM 0 HG3 LYS A 31 6.848 3.109 -4.198 1.00 0.00 H new ATOM 0 HD2 LYS A 31 7.614 3.280 -1.867 1.00 0.00 H new ATOM 0 HD3 LYS A 31 9.011 4.217 -2.359 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.153 5.125 -2.912 1.00 0.00 H new ATOM 0 HE3 LYS A 31 6.999 5.538 -1.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.126 7.276 -3.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.663 6.701 -2.696 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.960 6.217 -4.164 1.00 0.00 H new ATOM 502 N LEU A 32 9.359 0.683 -1.530 1.00 0.00 N ATOM 503 CA LEU A 32 9.458 0.696 -0.070 1.00 0.00 C ATOM 504 C LEU A 32 9.778 2.122 0.372 1.00 0.00 C ATOM 505 O LEU A 32 10.763 2.690 -0.103 1.00 0.00 O ATOM 506 CB LEU A 32 10.579 -0.273 0.359 1.00 0.00 C ATOM 507 CG LEU A 32 10.986 -0.210 1.846 1.00 0.00 C ATOM 508 CD1 LEU A 32 9.830 -0.570 2.785 1.00 0.00 C ATOM 509 CD2 LEU A 32 12.151 -1.173 2.092 1.00 0.00 C ATOM 0 H LEU A 32 10.266 0.625 -1.993 1.00 0.00 H new ATOM 0 HA LEU A 32 8.524 0.377 0.392 1.00 0.00 H new ATOM 0 HB2 LEU A 32 10.261 -1.290 0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.461 -0.071 -0.249 1.00 0.00 H new ATOM 0 HG LEU A 32 11.278 0.818 2.062 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.169 -0.510 3.819 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.007 0.128 2.632 1.00 0.00 H new ATOM 0 HD13 LEU A 32 9.491 -1.584 2.572 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.442 -1.132 3.142 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.843 -2.188 1.840 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.998 -0.886 1.469 1.00 0.00 H new ATOM 521 N HIS A 33 8.997 2.680 1.297 1.00 0.00 N ATOM 522 CA HIS A 33 9.272 3.941 1.987 1.00 0.00 C ATOM 523 C HIS A 33 8.768 3.799 3.423 1.00 0.00 C ATOM 524 O HIS A 33 7.672 3.287 3.633 1.00 0.00 O ATOM 525 CB HIS A 33 8.546 5.124 1.315 1.00 0.00 C ATOM 526 CG HIS A 33 9.324 5.867 0.253 1.00 0.00 C ATOM 527 ND1 HIS A 33 10.432 5.429 -0.437 1.00 0.00 N ATOM 528 CD2 HIS A 33 9.046 7.127 -0.207 1.00 0.00 C ATOM 529 CE1 HIS A 33 10.804 6.387 -1.299 1.00 0.00 C ATOM 530 NE2 HIS A 33 9.969 7.441 -1.215 1.00 0.00 N ATOM 0 H HIS A 33 8.122 2.250 1.598 1.00 0.00 H new ATOM 0 HA HIS A 33 10.342 4.144 1.952 1.00 0.00 H new ATOM 0 HB2 HIS A 33 7.625 4.751 0.867 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.259 5.835 2.090 1.00 0.00 H new ATOM 0 HD1 HIS A 33 10.893 4.527 -0.313 1.00 0.00 H new ATOM 0 HD2 HIS A 33 8.252 7.769 0.146 1.00 0.00 H new ATOM 0 HE1 HIS A 33 11.652 6.323 -1.965 1.00 0.00 H new ATOM 538 N ASP A 34 9.540 4.293 4.396 1.00 0.00 N ATOM 539 CA ASP A 34 9.182 4.363 5.820 1.00 0.00 C ATOM 540 C ASP A 34 8.542 3.065 6.349 1.00 0.00 C ATOM 541 O ASP A 34 7.488 3.077 6.985 1.00 0.00 O ATOM 542 CB ASP A 34 8.344 5.624 6.092 1.00 0.00 C ATOM 543 CG ASP A 34 8.096 5.854 7.596 1.00 0.00 C ATOM 544 OD1 ASP A 34 9.041 5.716 8.407 1.00 0.00 O ATOM 545 OD2 ASP A 34 6.970 6.252 7.973 1.00 0.00 O ATOM 0 H ASP A 34 10.469 4.671 4.208 1.00 0.00 H new ATOM 0 HA ASP A 34 10.103 4.453 6.396 1.00 0.00 H new ATOM 0 HB2 ASP A 34 8.853 6.492 5.674 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.387 5.538 5.578 1.00 0.00 H new ATOM 550 N GLU A 35 9.185 1.928 6.046 1.00 0.00 N ATOM 551 CA GLU A 35 8.754 0.580 6.437 1.00 0.00 C ATOM 552 C GLU A 35 7.331 0.233 5.957 1.00 0.00 C ATOM 553 O GLU A 35 6.622 -0.545 6.600 1.00 0.00 O ATOM 554 CB GLU A 35 8.960 0.359 7.955 1.00 0.00 C ATOM 555 CG GLU A 35 10.427 0.446 8.413 1.00 0.00 C ATOM 556 CD GLU A 35 11.328 -0.626 7.776 1.00 0.00 C ATOM 557 OE1 GLU A 35 10.877 -1.769 7.553 1.00 0.00 O ATOM 558 OE2 GLU A 35 12.511 -0.346 7.480 1.00 0.00 O ATOM 0 H GLU A 35 10.049 1.923 5.503 1.00 0.00 H new ATOM 0 HA GLU A 35 9.396 -0.131 5.916 1.00 0.00 H new ATOM 0 HB2 GLU A 35 8.376 1.100 8.501 1.00 0.00 H new ATOM 0 HB3 GLU A 35 8.564 -0.620 8.225 1.00 0.00 H new ATOM 0 HG2 GLU A 35 10.819 1.433 8.167 1.00 0.00 H new ATOM 0 HG3 GLU A 35 10.468 0.348 9.498 1.00 0.00 H new ATOM 565 N ARG A 36 6.890 0.785 4.824 1.00 0.00 N ATOM 566 CA ARG A 36 5.628 0.447 4.169 1.00 0.00 C ATOM 567 C ARG A 36 5.890 0.282 2.678 1.00 0.00 C ATOM 568 O ARG A 36 6.763 0.952 2.124 1.00 0.00 O ATOM 569 CB ARG A 36 4.589 1.563 4.403 1.00 0.00 C ATOM 570 CG ARG A 36 4.156 1.775 5.862 1.00 0.00 C ATOM 571 CD ARG A 36 3.437 0.551 6.436 1.00 0.00 C ATOM 572 NE ARG A 36 3.031 0.761 7.836 1.00 0.00 N ATOM 573 CZ ARG A 36 3.793 0.581 8.925 1.00 0.00 C ATOM 574 NH1 ARG A 36 5.057 0.175 8.824 1.00 0.00 N ATOM 575 NH2 ARG A 36 3.275 0.810 10.128 1.00 0.00 N ATOM 0 H ARG A 36 7.418 1.500 4.324 1.00 0.00 H new ATOM 0 HA ARG A 36 5.232 -0.480 4.584 1.00 0.00 H new ATOM 0 HB2 ARG A 36 4.998 2.500 4.025 1.00 0.00 H new ATOM 0 HB3 ARG A 36 3.703 1.339 3.809 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.032 1.998 6.471 1.00 0.00 H new ATOM 0 HG3 ARG A 36 3.498 2.642 5.922 1.00 0.00 H new ATOM 0 HD2 ARG A 36 2.557 0.330 5.832 1.00 0.00 H new ATOM 0 HD3 ARG A 36 4.093 -0.318 6.374 1.00 0.00 H new ATOM 0 HE ARG A 36 2.073 1.075 7.993 1.00 0.00 H new ATOM 0 HH11 ARG A 36 5.463 -0.005 7.906 1.00 0.00 H new ATOM 0 HH12 ARG A 36 5.619 0.044 9.665 1.00 0.00 H new ATOM 0 HH21 ARG A 36 2.307 1.119 10.216 1.00 0.00 H new ATOM 0 HH22 ARG A 36 3.846 0.676 10.963 1.00 0.00 H new ATOM 589 N VAL A 37 5.131 -0.589 2.017 1.00 0.00 N ATOM 590 CA VAL A 37 5.156 -0.675 0.563 1.00 0.00 C ATOM 591 C VAL A 37 4.054 0.246 0.048 1.00 0.00 C ATOM 592 O VAL A 37 2.897 0.127 0.464 1.00 0.00 O ATOM 593 CB VAL A 37 5.035 -2.138 0.097 1.00 0.00 C ATOM 594 CG1 VAL A 37 4.913 -2.241 -1.427 1.00 0.00 C ATOM 595 CG2 VAL A 37 6.291 -2.911 0.527 1.00 0.00 C ATOM 0 H VAL A 37 4.492 -1.244 2.467 1.00 0.00 H new ATOM 0 HA VAL A 37 6.107 -0.341 0.147 1.00 0.00 H new ATOM 0 HB VAL A 37 4.136 -2.556 0.551 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.830 -3.289 -1.715 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.025 -1.702 -1.758 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.797 -1.806 -1.893 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.210 -3.947 0.199 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.172 -2.455 0.075 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.384 -2.880 1.613 1.00 0.00 H new ATOM 605 N LEU A 38 4.425 1.169 -0.840 1.00 0.00 N ATOM 606 CA LEU A 38 3.586 2.239 -1.363 1.00 0.00 C ATOM 607 C LEU A 38 3.552 2.142 -2.886 1.00 0.00 C ATOM 608 O LEU A 38 4.511 1.675 -3.501 1.00 0.00 O ATOM 609 CB LEU A 38 4.139 3.622 -0.951 1.00 0.00 C ATOM 610 CG LEU A 38 3.553 4.226 0.340 1.00 0.00 C ATOM 611 CD1 LEU A 38 3.825 3.377 1.583 1.00 0.00 C ATOM 612 CD2 LEU A 38 4.155 5.618 0.566 1.00 0.00 C ATOM 0 H LEU A 38 5.367 1.188 -1.231 1.00 0.00 H new ATOM 0 HA LEU A 38 2.582 2.132 -0.953 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.219 3.539 -0.832 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.962 4.321 -1.769 1.00 0.00 H new ATOM 0 HG LEU A 38 2.473 4.270 0.201 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.386 3.859 2.456 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.383 2.389 1.453 1.00 0.00 H new ATOM 0 HD13 LEU A 38 4.901 3.277 1.727 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.743 6.049 1.479 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.238 5.535 0.661 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.913 6.261 -0.280 1.00 0.00 H new ATOM 624 N VAL A 39 2.473 2.624 -3.499 1.00 0.00 N ATOM 625 CA VAL A 39 2.338 2.743 -4.945 1.00 0.00 C ATOM 626 C VAL A 39 3.356 3.773 -5.440 1.00 0.00 C ATOM 627 O VAL A 39 3.321 4.934 -5.019 1.00 0.00 O ATOM 628 CB VAL A 39 0.885 3.114 -5.310 1.00 0.00 C ATOM 629 CG1 VAL A 39 0.701 3.267 -6.829 1.00 0.00 C ATOM 630 CG2 VAL A 39 -0.119 2.060 -4.811 1.00 0.00 C ATOM 0 H VAL A 39 1.651 2.949 -2.991 1.00 0.00 H new ATOM 0 HA VAL A 39 2.548 1.794 -5.438 1.00 0.00 H new ATOM 0 HB VAL A 39 0.690 4.067 -4.817 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.335 3.528 -7.046 1.00 0.00 H new ATOM 0 HG12 VAL A 39 1.359 4.054 -7.198 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.949 2.327 -7.322 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.129 2.360 -5.089 1.00 0.00 H new ATOM 0 HG22 VAL A 39 0.111 1.096 -5.264 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.050 1.977 -3.726 1.00 0.00 H new ATOM 640 N ALA A 40 4.246 3.339 -6.337 1.00 0.00 N ATOM 641 CA ALA A 40 5.263 4.168 -6.971 1.00 0.00 C ATOM 642 C ALA A 40 4.737 4.807 -8.255 1.00 0.00 C ATOM 643 O ALA A 40 5.066 5.956 -8.546 1.00 0.00 O ATOM 644 CB ALA A 40 6.477 3.298 -7.321 1.00 0.00 C ATOM 0 H ALA A 40 4.275 2.368 -6.649 1.00 0.00 H new ATOM 0 HA ALA A 40 5.539 4.958 -6.273 1.00 0.00 H new ATOM 0 HB1 ALA A 40 7.241 3.914 -7.796 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.882 2.855 -6.411 1.00 0.00 H new ATOM 0 HB3 ALA A 40 6.172 2.506 -8.005 1.00 0.00 H new ATOM 650 N PHE A 41 3.933 4.063 -9.020 1.00 0.00 N ATOM 651 CA PHE A 41 3.331 4.506 -10.273 1.00 0.00 C ATOM 652 C PHE A 41 2.141 3.596 -10.584 1.00 0.00 C ATOM 653 O PHE A 41 2.103 2.455 -10.121 1.00 0.00 O ATOM 654 CB PHE A 41 4.367 4.438 -11.410 1.00 0.00 C ATOM 655 CG PHE A 41 3.997 5.256 -12.635 1.00 0.00 C ATOM 656 CD1 PHE A 41 4.319 6.627 -12.683 1.00 0.00 C ATOM 657 CD2 PHE A 41 3.341 4.657 -13.728 1.00 0.00 C ATOM 658 CE1 PHE A 41 3.998 7.390 -13.820 1.00 0.00 C ATOM 659 CE2 PHE A 41 3.006 5.425 -14.857 1.00 0.00 C ATOM 660 CZ PHE A 41 3.339 6.790 -14.907 1.00 0.00 C ATOM 0 H PHE A 41 3.678 3.107 -8.773 1.00 0.00 H new ATOM 0 HA PHE A 41 2.994 5.539 -10.182 1.00 0.00 H new ATOM 0 HB2 PHE A 41 5.329 4.784 -11.032 1.00 0.00 H new ATOM 0 HB3 PHE A 41 4.497 3.397 -11.707 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.814 7.093 -11.844 1.00 0.00 H new ATOM 0 HD2 PHE A 41 3.095 3.606 -13.699 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.258 8.438 -13.858 1.00 0.00 H new ATOM 0 HE2 PHE A 41 2.492 4.965 -15.688 1.00 0.00 H new ATOM 0 HZ PHE A 41 3.089 7.376 -15.779 1.00 0.00 H new ATOM 780 N VAL A 49 -0.699 7.054 -6.525 1.00 0.00 N ATOM 781 CA VAL A 49 0.638 7.115 -5.936 1.00 0.00 C ATOM 782 C VAL A 49 0.538 7.521 -4.462 1.00 0.00 C ATOM 783 O VAL A 49 -0.339 8.301 -4.079 1.00 0.00 O ATOM 784 CB VAL A 49 1.582 8.017 -6.755 1.00 0.00 C ATOM 785 CG1 VAL A 49 1.967 7.289 -8.047 1.00 0.00 C ATOM 786 CG2 VAL A 49 1.001 9.395 -7.107 1.00 0.00 C ATOM 0 HA VAL A 49 1.088 6.123 -5.970 1.00 0.00 H new ATOM 0 HB VAL A 49 2.448 8.208 -6.121 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.635 7.919 -8.634 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.472 6.355 -7.802 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.068 7.075 -8.626 1.00 0.00 H new ATOM 0 HG21 VAL A 49 1.732 9.962 -7.683 1.00 0.00 H new ATOM 0 HG22 VAL A 49 0.094 9.267 -7.698 1.00 0.00 H new ATOM 0 HG23 VAL A 49 0.764 9.935 -6.190 1.00 0.00 H new ATOM 796 N GLY A 50 1.405 6.947 -3.626 1.00 0.00 N ATOM 797 CA GLY A 50 1.439 7.235 -2.197 1.00 0.00 C ATOM 798 C GLY A 50 0.449 6.400 -1.378 1.00 0.00 C ATOM 799 O GLY A 50 0.548 6.407 -0.150 1.00 0.00 O ATOM 0 H GLY A 50 2.104 6.267 -3.925 1.00 0.00 H new ATOM 0 HA2 GLY A 50 2.447 7.057 -1.823 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.224 8.292 -2.043 1.00 0.00 H new ATOM 803 N HIS A 51 -0.489 5.677 -2.009 1.00 0.00 N ATOM 804 CA HIS A 51 -1.312 4.697 -1.300 1.00 0.00 C ATOM 805 C HIS A 51 -0.409 3.554 -0.843 1.00 0.00 C ATOM 806 O HIS A 51 0.628 3.310 -1.459 1.00 0.00 O ATOM 807 CB HIS A 51 -2.451 4.187 -2.188 1.00 0.00 C ATOM 808 CG HIS A 51 -3.531 5.221 -2.363 1.00 0.00 C ATOM 809 ND1 HIS A 51 -3.459 6.373 -3.111 1.00 0.00 N ATOM 810 CD2 HIS A 51 -4.729 5.241 -1.710 1.00 0.00 C ATOM 811 CE1 HIS A 51 -4.595 7.064 -2.927 1.00 0.00 C ATOM 812 NE2 HIS A 51 -5.408 6.413 -2.075 1.00 0.00 N ATOM 0 H HIS A 51 -0.693 5.755 -3.005 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.778 5.164 -0.432 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -2.054 3.908 -3.164 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -2.879 3.286 -1.748 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -2.677 6.654 -3.703 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.092 4.485 -1.030 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -4.824 8.009 -3.397 1.00 0.00 H new ATOM 820 N ALA A 52 -0.811 2.836 0.203 1.00 0.00 N ATOM 821 CA ALA A 52 0.005 1.860 0.905 1.00 0.00 C ATOM 822 C ALA A 52 -0.714 0.516 0.960 1.00 0.00 C ATOM 823 O ALA A 52 -1.929 0.470 1.168 1.00 0.00 O ATOM 824 CB ALA A 52 0.253 2.393 2.318 1.00 0.00 C ATOM 0 H ALA A 52 -1.748 2.924 0.596 1.00 0.00 H new ATOM 0 HA ALA A 52 0.952 1.709 0.387 1.00 0.00 H new ATOM 0 HB1 ALA A 52 0.864 1.682 2.873 1.00 0.00 H new ATOM 0 HB2 ALA A 52 0.772 3.350 2.260 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.701 2.528 2.829 1.00 0.00 H new ATOM 830 N VAL A 53 0.040 -0.571 0.790 1.00 0.00 N ATOM 831 CA VAL A 53 -0.453 -1.935 0.955 1.00 0.00 C ATOM 832 C VAL A 53 -0.812 -2.144 2.434 1.00 0.00 C ATOM 833 O VAL A 53 -0.147 -1.603 3.322 1.00 0.00 O ATOM 834 CB VAL A 53 0.613 -2.938 0.452 1.00 0.00 C ATOM 835 CG1 VAL A 53 0.156 -4.398 0.595 1.00 0.00 C ATOM 836 CG2 VAL A 53 0.956 -2.692 -1.029 1.00 0.00 C ATOM 0 H VAL A 53 1.025 -0.525 0.530 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.351 -2.105 0.361 1.00 0.00 H new ATOM 0 HB VAL A 53 1.491 -2.774 1.077 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.939 -5.062 0.228 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.043 -4.616 1.644 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.753 -4.553 0.014 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.707 -3.412 -1.353 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.057 -2.808 -1.635 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.346 -1.681 -1.149 1.00 0.00 H new ATOM 846 N LEU A 54 -1.848 -2.949 2.696 1.00 0.00 N ATOM 847 CA LEU A 54 -2.358 -3.240 4.035 1.00 0.00 C ATOM 848 C LEU A 54 -2.510 -4.750 4.237 1.00 0.00 C ATOM 849 O LEU A 54 -2.207 -5.237 5.326 1.00 0.00 O ATOM 850 CB LEU A 54 -3.698 -2.516 4.266 1.00 0.00 C ATOM 851 CG LEU A 54 -3.607 -0.974 4.254 1.00 0.00 C ATOM 852 CD1 LEU A 54 -5.016 -0.380 4.271 1.00 0.00 C ATOM 853 CD2 LEU A 54 -2.818 -0.418 5.446 1.00 0.00 C ATOM 0 H LEU A 54 -2.367 -3.428 1.960 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.640 -2.873 4.769 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.403 -2.831 3.497 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.108 -2.835 5.224 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.075 -0.692 3.345 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -4.952 0.708 4.263 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.564 -0.718 3.392 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.537 -0.706 5.171 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.786 0.670 5.386 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.304 -0.716 6.375 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.802 -0.812 5.425 1.00 0.00 H new ATOM 865 N ALA A 55 -2.885 -5.518 3.206 1.00 0.00 N ATOM 866 CA ALA A 55 -2.843 -6.978 3.250 1.00 0.00 C ATOM 867 C ALA A 55 -2.645 -7.540 1.845 1.00 0.00 C ATOM 868 O ALA A 55 -2.972 -6.874 0.863 1.00 0.00 O ATOM 869 CB ALA A 55 -4.131 -7.552 3.860 1.00 0.00 C ATOM 0 H ALA A 55 -3.225 -5.142 2.321 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.003 -7.271 3.880 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.071 -8.640 3.880 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.251 -7.177 4.876 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.986 -7.247 3.257 1.00 0.00 H new ATOM 875 N ILE A 56 -2.182 -8.787 1.755 1.00 0.00 N ATOM 876 CA ILE A 56 -2.087 -9.551 0.509 1.00 0.00 C ATOM 877 C ILE A 56 -2.627 -10.946 0.819 1.00 0.00 C ATOM 878 O ILE A 56 -2.244 -11.538 1.824 1.00 0.00 O ATOM 879 CB ILE A 56 -0.634 -9.608 -0.019 1.00 0.00 C ATOM 880 CG1 ILE A 56 -0.062 -8.195 -0.268 1.00 0.00 C ATOM 881 CG2 ILE A 56 -0.599 -10.432 -1.324 1.00 0.00 C ATOM 882 CD1 ILE A 56 1.440 -8.179 -0.544 1.00 0.00 C ATOM 0 H ILE A 56 -1.854 -9.308 2.568 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.666 -9.075 -0.283 1.00 0.00 H new ATOM 0 HB ILE A 56 -0.012 -10.084 0.739 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.582 -7.746 -1.114 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.269 -7.571 0.601 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.423 -10.475 -1.700 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.955 -11.443 -1.126 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.240 -9.961 -2.069 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.769 -7.153 -0.709 1.00 0.00 H new ATOM 0 HD12 ILE A 56 1.971 -8.597 0.311 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.653 -8.775 -1.431 1.00 0.00 H new ATOM 894 N ASN A 57 -3.522 -11.459 -0.030 1.00 0.00 N ATOM 895 CA ASN A 57 -4.282 -12.712 0.115 1.00 0.00 C ATOM 896 C ASN A 57 -4.856 -12.971 1.523 1.00 0.00 C ATOM 897 O ASN A 57 -5.147 -14.114 1.881 1.00 0.00 O ATOM 898 CB ASN A 57 -3.515 -13.909 -0.487 1.00 0.00 C ATOM 899 CG ASN A 57 -2.235 -14.306 0.254 1.00 0.00 C ATOM 900 OD1 ASN A 57 -2.248 -14.717 1.410 1.00 0.00 O ATOM 901 ND2 ASN A 57 -1.099 -14.234 -0.423 1.00 0.00 N ATOM 0 H ASN A 57 -3.754 -10.979 -0.899 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.184 -12.582 -0.483 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.182 -14.771 -0.513 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.259 -13.673 -1.520 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.224 -14.522 0.016 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.099 -13.891 -1.384 1.00 0.00 H new ATOM 908 N GLY A 58 -5.067 -11.910 2.311 1.00 0.00 N ATOM 909 CA GLY A 58 -5.625 -11.963 3.660 1.00 0.00 C ATOM 910 C GLY A 58 -4.557 -11.845 4.752 1.00 0.00 C ATOM 911 O GLY A 58 -4.904 -11.587 5.905 1.00 0.00 O ATOM 0 H GLY A 58 -4.845 -10.960 2.013 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.350 -11.158 3.780 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.166 -12.901 3.787 1.00 0.00 H new ATOM 915 N MET A 59 -3.271 -12.001 4.416 1.00 0.00 N ATOM 916 CA MET A 59 -2.167 -11.733 5.325 1.00 0.00 C ATOM 917 C MET A 59 -2.001 -10.222 5.457 1.00 0.00 C ATOM 918 O MET A 59 -1.519 -9.566 4.533 1.00 0.00 O ATOM 919 CB MET A 59 -0.851 -12.341 4.819 1.00 0.00 C ATOM 920 CG MET A 59 -0.833 -13.870 4.834 1.00 0.00 C ATOM 921 SD MET A 59 0.809 -14.557 4.476 1.00 0.00 S ATOM 922 CE MET A 59 0.428 -16.326 4.586 1.00 0.00 C ATOM 0 H MET A 59 -2.972 -12.320 3.495 1.00 0.00 H new ATOM 0 HA MET A 59 -2.397 -12.188 6.288 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.669 -11.995 3.802 1.00 0.00 H new ATOM 0 HB3 MET A 59 -0.030 -11.971 5.434 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.165 -14.223 5.810 1.00 0.00 H new ATOM 0 HG3 MET A 59 -1.547 -14.245 4.100 1.00 0.00 H new ATOM 0 HE1 MET A 59 1.331 -16.905 4.392 1.00 0.00 H new ATOM 0 HE2 MET A 59 0.056 -16.557 5.584 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.332 -16.581 3.848 1.00 0.00 H new ATOM 932 N ASP A 60 -2.415 -9.672 6.596 1.00 0.00 N ATOM 933 CA ASP A 60 -2.137 -8.290 6.989 1.00 0.00 C ATOM 934 C ASP A 60 -0.618 -8.108 6.995 1.00 0.00 C ATOM 935 O ASP A 60 0.088 -8.889 7.641 1.00 0.00 O ATOM 936 CB ASP A 60 -2.733 -8.024 8.375 1.00 0.00 C ATOM 937 CG ASP A 60 -2.327 -6.644 8.918 1.00 0.00 C ATOM 938 OD1 ASP A 60 -3.035 -5.652 8.640 1.00 0.00 O ATOM 939 OD2 ASP A 60 -1.335 -6.555 9.675 1.00 0.00 O ATOM 0 H ASP A 60 -2.964 -10.184 7.287 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.587 -7.582 6.293 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.820 -8.088 8.321 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.402 -8.798 9.067 1.00 0.00 H new ATOM 944 N VAL A 61 -0.097 -7.154 6.219 1.00 0.00 N ATOM 945 CA VAL A 61 1.347 -7.029 6.051 1.00 0.00 C ATOM 946 C VAL A 61 1.947 -6.353 7.290 1.00 0.00 C ATOM 947 O VAL A 61 1.458 -5.324 7.763 1.00 0.00 O ATOM 948 CB VAL A 61 1.739 -6.358 4.712 1.00 0.00 C ATOM 949 CG1 VAL A 61 1.257 -7.211 3.521 1.00 0.00 C ATOM 950 CG2 VAL A 61 1.254 -4.914 4.527 1.00 0.00 C ATOM 0 H VAL A 61 -0.648 -6.467 5.705 1.00 0.00 H new ATOM 0 HA VAL A 61 1.783 -8.025 5.978 1.00 0.00 H new ATOM 0 HB VAL A 61 2.827 -6.302 4.746 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.541 -6.725 2.587 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.717 -8.198 3.571 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.173 -7.313 3.562 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.583 -4.541 3.557 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.165 -4.887 4.576 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.668 -4.287 5.316 1.00 0.00 H new ATOM 960 N ASN A 62 3.021 -6.943 7.813 1.00 0.00 N ATOM 961 CA ASN A 62 3.883 -6.382 8.842 1.00 0.00 C ATOM 962 C ASN A 62 4.741 -5.305 8.174 1.00 0.00 C ATOM 963 O ASN A 62 5.911 -5.531 7.853 1.00 0.00 O ATOM 964 CB ASN A 62 4.738 -7.488 9.484 1.00 0.00 C ATOM 965 CG ASN A 62 5.742 -6.920 10.489 1.00 0.00 C ATOM 966 OD1 ASN A 62 5.487 -5.921 11.157 1.00 0.00 O ATOM 967 ND2 ASN A 62 6.900 -7.545 10.629 1.00 0.00 N ATOM 0 H ASN A 62 3.325 -7.870 7.513 1.00 0.00 H new ATOM 0 HA ASN A 62 3.301 -5.937 9.649 1.00 0.00 H new ATOM 0 HB2 ASN A 62 4.088 -8.205 9.986 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.272 -8.033 8.705 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.589 -7.198 11.296 1.00 0.00 H new ATOM 0 HD22 ASN A 62 7.103 -8.374 10.070 1.00 0.00 H new ATOM 974 N GLY A 63 4.115 -4.170 7.862 1.00 0.00 N ATOM 975 CA GLY A 63 4.707 -2.994 7.239 1.00 0.00 C ATOM 976 C GLY A 63 5.108 -3.233 5.784 1.00 0.00 C ATOM 977 O GLY A 63 4.436 -2.764 4.864 1.00 0.00 O ATOM 0 H GLY A 63 3.121 -4.043 8.050 1.00 0.00 H new ATOM 0 HA2 GLY A 63 3.997 -2.168 7.284 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.586 -2.691 7.808 1.00 0.00 H new ATOM 981 N ARG A 64 6.174 -4.006 5.578 1.00 0.00 N ATOM 982 CA ARG A 64 6.710 -4.398 4.274 1.00 0.00 C ATOM 983 C ARG A 64 7.026 -5.892 4.212 1.00 0.00 C ATOM 984 O ARG A 64 7.643 -6.334 3.245 1.00 0.00 O ATOM 985 CB ARG A 64 7.932 -3.532 3.907 1.00 0.00 C ATOM 986 CG ARG A 64 9.054 -3.518 4.962 1.00 0.00 C ATOM 987 CD ARG A 64 10.457 -3.734 4.370 1.00 0.00 C ATOM 988 NE ARG A 64 11.482 -3.152 5.246 1.00 0.00 N ATOM 989 CZ ARG A 64 12.801 -3.111 5.042 1.00 0.00 C ATOM 990 NH1 ARG A 64 13.374 -3.780 4.047 1.00 0.00 N ATOM 991 NH2 ARG A 64 13.546 -2.370 5.854 1.00 0.00 N ATOM 0 H ARG A 64 6.713 -4.394 6.352 1.00 0.00 H new ATOM 0 HA ARG A 64 5.938 -4.217 3.526 1.00 0.00 H new ATOM 0 HB2 ARG A 64 8.344 -3.891 2.964 1.00 0.00 H new ATOM 0 HB3 ARG A 64 7.597 -2.508 3.740 1.00 0.00 H new ATOM 0 HG2 ARG A 64 9.034 -2.564 5.489 1.00 0.00 H new ATOM 0 HG3 ARG A 64 8.857 -4.295 5.701 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.643 -4.800 4.241 1.00 0.00 H new ATOM 0 HD3 ARG A 64 10.515 -3.279 3.381 1.00 0.00 H new ATOM 0 HE ARG A 64 11.147 -2.730 6.112 1.00 0.00 H new ATOM 0 HH11 ARG A 64 12.804 -4.343 3.416 1.00 0.00 H new ATOM 0 HH12 ARG A 64 14.384 -3.731 3.914 1.00 0.00 H new ATOM 0 HH21 ARG A 64 13.108 -1.848 6.613 1.00 0.00 H new ATOM 0 HH22 ARG A 64 14.556 -2.323 5.718 1.00 0.00 H new ATOM 1005 N TYR A 65 6.595 -6.681 5.195 1.00 0.00 N ATOM 1006 CA TYR A 65 6.725 -8.133 5.178 1.00 0.00 C ATOM 1007 C TYR A 65 5.325 -8.734 5.275 1.00 0.00 C ATOM 1008 O TYR A 65 4.419 -8.076 5.784 1.00 0.00 O ATOM 1009 CB TYR A 65 7.638 -8.587 6.325 1.00 0.00 C ATOM 1010 CG TYR A 65 9.037 -7.997 6.265 1.00 0.00 C ATOM 1011 CD1 TYR A 65 10.047 -8.650 5.535 1.00 0.00 C ATOM 1012 CD2 TYR A 65 9.321 -6.775 6.909 1.00 0.00 C ATOM 1013 CE1 TYR A 65 11.333 -8.090 5.445 1.00 0.00 C ATOM 1014 CE2 TYR A 65 10.605 -6.204 6.818 1.00 0.00 C ATOM 1015 CZ TYR A 65 11.623 -6.872 6.098 1.00 0.00 C ATOM 1016 OH TYR A 65 12.884 -6.362 6.035 1.00 0.00 O ATOM 0 H TYR A 65 6.140 -6.323 6.035 1.00 0.00 H new ATOM 0 HA TYR A 65 7.187 -8.478 4.253 1.00 0.00 H new ATOM 0 HB2 TYR A 65 7.178 -8.312 7.274 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.711 -9.674 6.310 1.00 0.00 H new ATOM 0 HD1 TYR A 65 9.833 -9.586 5.041 1.00 0.00 H new ATOM 0 HD2 TYR A 65 8.549 -6.274 7.475 1.00 0.00 H new ATOM 0 HE1 TYR A 65 12.101 -8.592 4.875 1.00 0.00 H new ATOM 0 HE2 TYR A 65 10.812 -5.258 7.297 1.00 0.00 H new ATOM 0 HH TYR A 65 12.921 -5.519 6.534 1.00 0.00 H new ATOM 1026 N THR A 66 5.101 -9.952 4.792 1.00 0.00 N ATOM 1027 CA THR A 66 3.831 -10.633 5.000 1.00 0.00 C ATOM 1028 C THR A 66 3.683 -11.022 6.474 1.00 0.00 C ATOM 1029 O THR A 66 4.609 -10.874 7.279 1.00 0.00 O ATOM 1030 CB THR A 66 3.717 -11.864 4.084 1.00 0.00 C ATOM 1031 OG1 THR A 66 4.796 -12.755 4.300 1.00 0.00 O ATOM 1032 CG2 THR A 66 3.688 -11.470 2.608 1.00 0.00 C ATOM 0 H THR A 66 5.783 -10.486 4.254 1.00 0.00 H new ATOM 0 HA THR A 66 3.019 -9.954 4.740 1.00 0.00 H new ATOM 0 HB THR A 66 2.778 -12.357 4.335 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.703 -13.531 3.709 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.607 -12.367 1.994 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.831 -10.823 2.421 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.606 -10.939 2.355 1.00 0.00 H new ATOM 1040 N ALA A 67 2.517 -11.570 6.817 1.00 0.00 N ATOM 1041 CA ALA A 67 2.291 -12.194 8.111 1.00 0.00 C ATOM 1042 C ALA A 67 3.282 -13.347 8.330 1.00 0.00 C ATOM 1043 O ALA A 67 3.772 -13.544 9.443 1.00 0.00 O ATOM 1044 CB ALA A 67 0.856 -12.717 8.147 1.00 0.00 C ATOM 0 H ALA A 67 1.704 -11.591 6.201 1.00 0.00 H new ATOM 0 HA ALA A 67 2.443 -11.464 8.906 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.665 -13.190 9.110 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.163 -11.888 8.006 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.715 -13.447 7.350 1.00 0.00 H new ATOM 1050 N ASP A 68 3.579 -14.098 7.264 1.00 0.00 N ATOM 1051 CA ASP A 68 4.555 -15.189 7.285 1.00 0.00 C ATOM 1052 C ASP A 68 5.989 -14.663 7.418 1.00 0.00 C ATOM 1053 O ASP A 68 6.793 -15.261 8.135 1.00 0.00 O ATOM 1054 CB ASP A 68 4.433 -16.040 6.016 1.00 0.00 C ATOM 1055 CG ASP A 68 5.446 -17.196 6.041 1.00 0.00 C ATOM 1056 OD1 ASP A 68 5.213 -18.191 6.764 1.00 0.00 O ATOM 1057 OD2 ASP A 68 6.466 -17.127 5.321 1.00 0.00 O ATOM 0 H ASP A 68 3.142 -13.962 6.352 1.00 0.00 H new ATOM 0 HA ASP A 68 4.337 -15.805 8.158 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.421 -16.437 5.934 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.604 -15.419 5.137 1.00 0.00 H new ATOM 1062 N GLY A 69 6.298 -13.530 6.775 1.00 0.00 N ATOM 1063 CA GLY A 69 7.566 -12.813 6.920 1.00 0.00 C ATOM 1064 C GLY A 69 8.322 -12.606 5.603 1.00 0.00 C ATOM 1065 O GLY A 69 9.461 -12.136 5.630 1.00 0.00 O ATOM 0 H GLY A 69 5.656 -13.077 6.124 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.371 -11.840 7.372 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.205 -13.363 7.611 1.00 0.00 H new ATOM 1069 N LYS A 70 7.736 -12.961 4.455 1.00 0.00 N ATOM 1070 CA LYS A 70 8.319 -12.712 3.134 1.00 0.00 C ATOM 1071 C LYS A 70 8.337 -11.201 2.921 1.00 0.00 C ATOM 1072 O LYS A 70 7.335 -10.558 3.227 1.00 0.00 O ATOM 1073 CB LYS A 70 7.458 -13.381 2.043 1.00 0.00 C ATOM 1074 CG LYS A 70 7.212 -14.890 2.232 1.00 0.00 C ATOM 1075 CD LYS A 70 8.485 -15.730 2.079 1.00 0.00 C ATOM 1076 CE LYS A 70 8.156 -17.214 2.294 1.00 0.00 C ATOM 1077 NZ LYS A 70 9.354 -18.081 2.168 1.00 0.00 N ATOM 0 H LYS A 70 6.833 -13.435 4.417 1.00 0.00 H new ATOM 0 HA LYS A 70 9.326 -13.124 3.076 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.494 -12.875 2.003 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.940 -13.226 1.077 1.00 0.00 H new ATOM 0 HG2 LYS A 70 6.787 -15.062 3.221 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.473 -15.226 1.505 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.912 -15.583 1.087 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.235 -15.406 2.801 1.00 0.00 H new ATOM 0 HE2 LYS A 70 7.717 -17.347 3.283 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.406 -17.527 1.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 9.082 -19.073 2.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 9.760 -17.976 1.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 10.061 -17.802 2.878 1.00 0.00 H new ATOM 1091 N GLU A 71 9.418 -10.611 2.408 1.00 0.00 N ATOM 1092 CA GLU A 71 9.391 -9.194 2.056 1.00 0.00 C ATOM 1093 C GLU A 71 8.416 -9.031 0.893 1.00 0.00 C ATOM 1094 O GLU A 71 8.523 -9.738 -0.108 1.00 0.00 O ATOM 1095 CB GLU A 71 10.792 -8.664 1.716 1.00 0.00 C ATOM 1096 CG GLU A 71 10.734 -7.141 1.513 1.00 0.00 C ATOM 1097 CD GLU A 71 12.119 -6.483 1.422 1.00 0.00 C ATOM 1098 OE1 GLU A 71 12.938 -6.866 0.556 1.00 0.00 O ATOM 1099 OE2 GLU A 71 12.375 -5.541 2.205 1.00 0.00 O ATOM 0 H GLU A 71 10.305 -11.082 2.230 1.00 0.00 H new ATOM 0 HA GLU A 71 9.057 -8.600 2.906 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.488 -8.907 2.519 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.165 -9.147 0.813 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.177 -6.925 0.601 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.181 -6.693 2.339 1.00 0.00 H new ATOM 1106 N VAL A 72 7.464 -8.111 1.026 1.00 0.00 N ATOM 1107 CA VAL A 72 6.336 -7.946 0.115 1.00 0.00 C ATOM 1108 C VAL A 72 6.803 -7.726 -1.329 1.00 0.00 C ATOM 1109 O VAL A 72 6.207 -8.288 -2.247 1.00 0.00 O ATOM 1110 CB VAL A 72 5.439 -6.809 0.654 1.00 0.00 C ATOM 1111 CG1 VAL A 72 4.471 -6.244 -0.393 1.00 0.00 C ATOM 1112 CG2 VAL A 72 4.637 -7.302 1.868 1.00 0.00 C ATOM 0 H VAL A 72 7.457 -7.440 1.794 1.00 0.00 H new ATOM 0 HA VAL A 72 5.743 -8.860 0.077 1.00 0.00 H new ATOM 0 HB VAL A 72 6.112 -6.000 0.938 1.00 0.00 H new ATOM 0 HG11 VAL A 72 3.873 -5.450 0.055 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.038 -5.842 -1.233 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.813 -7.038 -0.746 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.008 -6.494 2.241 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.010 -8.143 1.573 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.323 -7.619 2.653 1.00 0.00 H new ATOM 1122 N LEU A 73 7.869 -6.948 -1.548 1.00 0.00 N ATOM 1123 CA LEU A 73 8.343 -6.672 -2.903 1.00 0.00 C ATOM 1124 C LEU A 73 8.856 -7.953 -3.565 1.00 0.00 C ATOM 1125 O LEU A 73 8.566 -8.189 -4.737 1.00 0.00 O ATOM 1126 CB LEU A 73 9.430 -5.581 -2.898 1.00 0.00 C ATOM 1127 CG LEU A 73 8.935 -4.178 -2.485 1.00 0.00 C ATOM 1128 CD1 LEU A 73 10.117 -3.204 -2.446 1.00 0.00 C ATOM 1129 CD2 LEU A 73 7.863 -3.618 -3.432 1.00 0.00 C ATOM 0 H LEU A 73 8.414 -6.503 -0.809 1.00 0.00 H new ATOM 0 HA LEU A 73 7.502 -6.299 -3.487 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.227 -5.884 -2.219 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.867 -5.518 -3.895 1.00 0.00 H new ATOM 0 HG LEU A 73 8.482 -4.283 -1.499 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.764 -2.215 -2.154 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.853 -3.554 -1.723 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.576 -3.149 -3.433 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.555 -2.630 -3.089 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.272 -3.542 -4.440 1.00 0.00 H new ATOM 0 HD23 LEU A 73 7.000 -4.284 -3.440 1.00 0.00 H new ATOM 1141 N GLU A 74 9.571 -8.808 -2.827 1.00 0.00 N ATOM 1142 CA GLU A 74 10.049 -10.085 -3.356 1.00 0.00 C ATOM 1143 C GLU A 74 8.879 -11.061 -3.507 1.00 0.00 C ATOM 1144 O GLU A 74 8.800 -11.783 -4.500 1.00 0.00 O ATOM 1145 CB GLU A 74 11.129 -10.692 -2.446 1.00 0.00 C ATOM 1146 CG GLU A 74 12.388 -9.817 -2.360 1.00 0.00 C ATOM 1147 CD GLU A 74 13.561 -10.570 -1.703 1.00 0.00 C ATOM 1148 OE1 GLU A 74 13.537 -10.813 -0.475 1.00 0.00 O ATOM 1149 OE2 GLU A 74 14.531 -10.923 -2.412 1.00 0.00 O ATOM 0 H GLU A 74 9.832 -8.635 -1.856 1.00 0.00 H new ATOM 0 HA GLU A 74 10.493 -9.903 -4.334 1.00 0.00 H new ATOM 0 HB2 GLU A 74 10.719 -10.832 -1.446 1.00 0.00 H new ATOM 0 HB3 GLU A 74 11.402 -11.679 -2.820 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.677 -9.495 -3.361 1.00 0.00 H new ATOM 0 HG3 GLU A 74 12.167 -8.916 -1.787 1.00 0.00 H new ATOM 1156 N TYR A 75 7.949 -11.058 -2.549 1.00 0.00 N ATOM 1157 CA TYR A 75 6.779 -11.924 -2.530 1.00 0.00 C ATOM 1158 C TYR A 75 5.920 -11.691 -3.772 1.00 0.00 C ATOM 1159 O TYR A 75 5.520 -12.652 -4.430 1.00 0.00 O ATOM 1160 CB TYR A 75 5.988 -11.646 -1.244 1.00 0.00 C ATOM 1161 CG TYR A 75 4.826 -12.581 -0.977 1.00 0.00 C ATOM 1162 CD1 TYR A 75 5.079 -13.932 -0.676 1.00 0.00 C ATOM 1163 CD2 TYR A 75 3.504 -12.093 -0.961 1.00 0.00 C ATOM 1164 CE1 TYR A 75 4.024 -14.791 -0.324 1.00 0.00 C ATOM 1165 CE2 TYR A 75 2.442 -12.948 -0.617 1.00 0.00 C ATOM 1166 CZ TYR A 75 2.698 -14.299 -0.283 1.00 0.00 C ATOM 1167 OH TYR A 75 1.663 -15.111 0.076 1.00 0.00 O ATOM 0 H TYR A 75 7.995 -10.433 -1.744 1.00 0.00 H new ATOM 0 HA TYR A 75 7.087 -12.969 -2.543 1.00 0.00 H new ATOM 0 HB2 TYR A 75 6.674 -11.697 -0.398 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.608 -10.625 -1.286 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.090 -14.311 -0.716 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.306 -11.062 -1.213 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.225 -15.825 -0.085 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.429 -12.573 -0.608 1.00 0.00 H new ATOM 0 HH TYR A 75 1.428 -14.947 1.013 1.00 0.00 H new ATOM 1177 N LEU A 76 5.659 -10.426 -4.113 1.00 0.00 N ATOM 1178 CA LEU A 76 4.897 -10.049 -5.298 1.00 0.00 C ATOM 1179 C LEU A 76 5.744 -10.211 -6.561 1.00 0.00 C ATOM 1180 O LEU A 76 5.207 -10.560 -7.611 1.00 0.00 O ATOM 1181 CB LEU A 76 4.420 -8.591 -5.167 1.00 0.00 C ATOM 1182 CG LEU A 76 3.335 -8.373 -4.090 1.00 0.00 C ATOM 1183 CD1 LEU A 76 3.072 -6.873 -3.913 1.00 0.00 C ATOM 1184 CD2 LEU A 76 2.024 -9.076 -4.456 1.00 0.00 C ATOM 0 H LEU A 76 5.977 -9.627 -3.564 1.00 0.00 H new ATOM 0 HA LEU A 76 4.032 -10.707 -5.379 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.278 -7.960 -4.935 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.031 -8.260 -6.130 1.00 0.00 H new ATOM 0 HG LEU A 76 3.704 -8.802 -3.158 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.306 -6.725 -3.152 1.00 0.00 H new ATOM 0 HD12 LEU A 76 3.992 -6.376 -3.603 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.731 -6.449 -4.858 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.286 -8.899 -3.674 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.652 -8.683 -5.402 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.200 -10.147 -4.553 1.00 0.00 H new ATOM 1196 N GLY A 77 7.056 -9.967 -6.473 1.00 0.00 N ATOM 1197 CA GLY A 77 7.973 -10.072 -7.600 1.00 0.00 C ATOM 1198 C GLY A 77 8.151 -11.513 -8.086 1.00 0.00 C ATOM 1199 O GLY A 77 8.375 -11.725 -9.277 1.00 0.00 O ATOM 0 H GLY A 77 7.511 -9.688 -5.604 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.603 -9.459 -8.422 1.00 0.00 H new ATOM 0 HA3 GLY A 77 8.943 -9.668 -7.312 1.00 0.00 H new ATOM 1203 N ASN A 78 8.045 -12.499 -7.190 1.00 0.00 N ATOM 1204 CA ASN A 78 8.117 -13.923 -7.513 1.00 0.00 C ATOM 1205 C ASN A 78 6.963 -14.304 -8.454 1.00 0.00 C ATOM 1206 O ASN A 78 5.810 -14.254 -8.019 1.00 0.00 O ATOM 1207 CB ASN A 78 8.036 -14.740 -6.210 1.00 0.00 C ATOM 1208 CG ASN A 78 8.007 -16.250 -6.443 1.00 0.00 C ATOM 1209 OD1 ASN A 78 8.169 -16.744 -7.555 1.00 0.00 O ATOM 1210 ND2 ASN A 78 7.790 -17.022 -5.392 1.00 0.00 N ATOM 0 H ASN A 78 7.903 -12.322 -6.196 1.00 0.00 H new ATOM 0 HA ASN A 78 9.060 -14.139 -8.016 1.00 0.00 H new ATOM 0 HB2 ASN A 78 8.891 -14.493 -5.581 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.141 -14.447 -5.661 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.756 -18.035 -5.502 1.00 0.00 H new ATOM 0 HD22 ASN A 78 7.656 -16.604 -4.471 1.00 0.00 H new ATOM 1217 N PRO A 79 7.211 -14.725 -9.710 1.00 0.00 N ATOM 1218 CA PRO A 79 6.134 -15.011 -10.647 1.00 0.00 C ATOM 1219 C PRO A 79 5.332 -16.268 -10.308 1.00 0.00 C ATOM 1220 O PRO A 79 4.198 -16.391 -10.774 1.00 0.00 O ATOM 1221 CB PRO A 79 6.775 -15.036 -12.029 1.00 0.00 C ATOM 1222 CG PRO A 79 8.201 -15.501 -11.734 1.00 0.00 C ATOM 1223 CD PRO A 79 8.501 -14.877 -10.369 1.00 0.00 C ATOM 0 HA PRO A 79 5.368 -14.237 -10.597 1.00 0.00 H new ATOM 0 HB2 PRO A 79 6.258 -15.720 -12.702 1.00 0.00 H new ATOM 0 HB3 PRO A 79 6.760 -14.053 -12.500 1.00 0.00 H new ATOM 0 HG2 PRO A 79 8.271 -16.588 -11.703 1.00 0.00 H new ATOM 0 HG3 PRO A 79 8.901 -15.158 -12.496 1.00 0.00 H new ATOM 0 HD2 PRO A 79 9.166 -15.514 -9.785 1.00 0.00 H new ATOM 0 HD3 PRO A 79 8.999 -13.914 -10.480 1.00 0.00 H new ATOM 1231 N ALA A 80 5.838 -17.156 -9.439 1.00 0.00 N ATOM 1232 CA ALA A 80 5.039 -18.257 -8.898 1.00 0.00 C ATOM 1233 C ALA A 80 3.860 -17.728 -8.058 1.00 0.00 C ATOM 1234 O ALA A 80 2.934 -18.477 -7.744 1.00 0.00 O ATOM 1235 CB ALA A 80 5.920 -19.163 -8.033 1.00 0.00 C ATOM 0 H ALA A 80 6.799 -17.130 -9.098 1.00 0.00 H new ATOM 0 HA ALA A 80 4.636 -18.827 -9.735 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.320 -19.980 -7.633 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.729 -19.570 -8.639 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.339 -18.584 -7.210 1.00 0.00 H new ATOM 1241 N ASN A 81 3.903 -16.443 -7.690 1.00 0.00 N ATOM 1242 CA ASN A 81 2.964 -15.739 -6.834 1.00 0.00 C ATOM 1243 C ASN A 81 2.618 -14.379 -7.470 1.00 0.00 C ATOM 1244 O ASN A 81 2.341 -13.411 -6.766 1.00 0.00 O ATOM 1245 CB ASN A 81 3.614 -15.608 -5.448 1.00 0.00 C ATOM 1246 CG ASN A 81 2.681 -15.016 -4.397 1.00 0.00 C ATOM 1247 OD1 ASN A 81 1.570 -15.493 -4.180 1.00 0.00 O ATOM 1248 ND2 ASN A 81 3.144 -14.001 -3.694 1.00 0.00 N ATOM 0 H ASN A 81 4.653 -15.830 -8.010 1.00 0.00 H new ATOM 0 HA ASN A 81 2.023 -16.277 -6.723 1.00 0.00 H new ATOM 0 HB2 ASN A 81 3.946 -16.592 -5.116 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.503 -14.982 -5.529 1.00 0.00 H new ATOM 0 HD21 ASN A 81 2.576 -13.594 -2.951 1.00 0.00 H new ATOM 0 HD22 ASN A 81 4.070 -13.623 -3.894 1.00 0.00 H new ATOM 1255 N TYR A 82 2.668 -14.278 -8.808 1.00 0.00 N ATOM 1256 CA TYR A 82 2.160 -13.112 -9.530 1.00 0.00 C ATOM 1257 C TYR A 82 0.654 -12.902 -9.290 1.00 0.00 C ATOM 1258 O TYR A 82 0.297 -11.791 -8.901 1.00 0.00 O ATOM 1259 CB TYR A 82 2.455 -13.209 -11.044 1.00 0.00 C ATOM 1260 CG TYR A 82 3.703 -12.545 -11.614 1.00 0.00 C ATOM 1261 CD1 TYR A 82 4.673 -11.894 -10.818 1.00 0.00 C ATOM 1262 CD2 TYR A 82 3.868 -12.562 -13.013 1.00 0.00 C ATOM 1263 CE1 TYR A 82 5.778 -11.263 -11.416 1.00 0.00 C ATOM 1264 CE2 TYR A 82 4.968 -11.931 -13.618 1.00 0.00 C ATOM 1265 CZ TYR A 82 5.932 -11.275 -12.821 1.00 0.00 C ATOM 1266 OH TYR A 82 6.991 -10.658 -13.416 1.00 0.00 O ATOM 0 H TYR A 82 3.060 -15.000 -9.412 1.00 0.00 H new ATOM 0 HA TYR A 82 2.688 -12.244 -9.134 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.504 -14.268 -11.299 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.596 -12.794 -11.571 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.565 -11.881 -9.744 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.139 -13.067 -13.629 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.513 -10.767 -10.799 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.076 -11.948 -14.692 1.00 0.00 H new ATOM 0 HH TYR A 82 6.932 -10.771 -14.388 1.00 0.00 H new ATOM 1276 N PRO A 83 -0.244 -13.885 -9.520 1.00 0.00 N ATOM 1277 CA PRO A 83 -1.671 -13.671 -9.310 1.00 0.00 C ATOM 1278 C PRO A 83 -1.968 -13.612 -7.809 1.00 0.00 C ATOM 1279 O PRO A 83 -1.679 -14.564 -7.077 1.00 0.00 O ATOM 1280 CB PRO A 83 -2.380 -14.833 -10.012 1.00 0.00 C ATOM 1281 CG PRO A 83 -1.342 -15.953 -9.999 1.00 0.00 C ATOM 1282 CD PRO A 83 -0.013 -15.206 -10.094 1.00 0.00 C ATOM 0 HA PRO A 83 -2.022 -12.725 -9.722 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -3.289 -15.124 -9.486 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -2.671 -14.569 -11.029 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.404 -16.548 -9.088 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -1.479 -16.637 -10.836 1.00 0.00 H new ATOM 0 HD2 PRO A 83 0.770 -15.735 -9.550 1.00 0.00 H new ATOM 0 HD3 PRO A 83 0.316 -15.128 -11.130 1.00 0.00 H new ATOM 1290 N VAL A 84 -2.551 -12.504 -7.352 1.00 0.00 N ATOM 1291 CA VAL A 84 -2.801 -12.216 -5.942 1.00 0.00 C ATOM 1292 C VAL A 84 -4.054 -11.346 -5.805 1.00 0.00 C ATOM 1293 O VAL A 84 -4.585 -10.833 -6.792 1.00 0.00 O ATOM 1294 CB VAL A 84 -1.585 -11.498 -5.298 1.00 0.00 C ATOM 1295 CG1 VAL A 84 -0.350 -12.395 -5.182 1.00 0.00 C ATOM 1296 CG2 VAL A 84 -1.204 -10.201 -6.027 1.00 0.00 C ATOM 0 H VAL A 84 -2.872 -11.760 -7.972 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.956 -13.160 -5.420 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.920 -11.246 -4.292 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.465 -11.835 -4.724 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.586 -13.261 -4.564 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -0.048 -12.729 -6.175 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.348 -9.743 -5.532 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.947 -10.427 -7.062 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -2.047 -9.510 -6.006 1.00 0.00 H new ATOM 1306 N SER A 85 -4.488 -11.148 -4.563 1.00 0.00 N ATOM 1307 CA SER A 85 -5.508 -10.189 -4.183 1.00 0.00 C ATOM 1308 C SER A 85 -4.865 -9.334 -3.094 1.00 0.00 C ATOM 1309 O SER A 85 -4.112 -9.862 -2.273 1.00 0.00 O ATOM 1310 CB SER A 85 -6.769 -10.912 -3.700 1.00 0.00 C ATOM 1311 OG SER A 85 -7.258 -11.793 -4.699 1.00 0.00 O ATOM 0 H SER A 85 -4.122 -11.673 -3.768 1.00 0.00 H new ATOM 0 HA SER A 85 -5.835 -9.567 -5.016 1.00 0.00 H new ATOM 0 HB2 SER A 85 -6.547 -11.472 -2.792 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.537 -10.182 -3.445 1.00 0.00 H new ATOM 0 HG SER A 85 -8.062 -12.246 -4.370 1.00 0.00 H new ATOM 1317 N ILE A 86 -5.102 -8.026 -3.101 1.00 0.00 N ATOM 1318 CA ILE A 86 -4.410 -7.067 -2.245 1.00 0.00 C ATOM 1319 C ILE A 86 -5.483 -6.161 -1.643 1.00 0.00 C ATOM 1320 O ILE A 86 -6.502 -5.878 -2.280 1.00 0.00 O ATOM 1321 CB ILE A 86 -3.328 -6.290 -3.051 1.00 0.00 C ATOM 1322 CG1 ILE A 86 -2.368 -7.267 -3.779 1.00 0.00 C ATOM 1323 CG2 ILE A 86 -2.528 -5.322 -2.153 1.00 0.00 C ATOM 1324 CD1 ILE A 86 -1.178 -6.616 -4.495 1.00 0.00 C ATOM 0 H ILE A 86 -5.794 -7.594 -3.714 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.865 -7.560 -1.440 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.852 -5.695 -3.798 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.984 -7.981 -3.051 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.943 -7.835 -4.510 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.784 -4.800 -2.754 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -3.207 -4.596 -1.705 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -2.028 -5.886 -1.365 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.572 -7.388 -4.970 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -1.544 -5.924 -5.254 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.571 -6.073 -3.771 1.00 0.00 H new ATOM 1336 N ARG A 87 -5.241 -5.699 -0.418 1.00 0.00 N ATOM 1337 CA ARG A 87 -6.031 -4.687 0.274 1.00 0.00 C ATOM 1338 C ARG A 87 -5.052 -3.557 0.532 1.00 0.00 C ATOM 1339 O ARG A 87 -3.934 -3.811 0.990 1.00 0.00 O ATOM 1340 CB ARG A 87 -6.615 -5.236 1.590 1.00 0.00 C ATOM 1341 CG ARG A 87 -7.413 -6.531 1.378 1.00 0.00 C ATOM 1342 CD ARG A 87 -8.032 -7.069 2.671 1.00 0.00 C ATOM 1343 NE ARG A 87 -8.574 -8.416 2.441 1.00 0.00 N ATOM 1344 CZ ARG A 87 -9.048 -9.273 3.347 1.00 0.00 C ATOM 1345 NH1 ARG A 87 -9.124 -8.953 4.636 1.00 0.00 N ATOM 1346 NH2 ARG A 87 -9.437 -10.462 2.910 1.00 0.00 N ATOM 0 H ARG A 87 -4.457 -6.034 0.141 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.891 -4.362 -0.311 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -5.805 -5.422 2.295 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -7.262 -4.483 2.040 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -8.204 -6.349 0.651 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -6.757 -7.290 0.952 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -7.280 -7.099 3.460 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -8.824 -6.402 3.011 1.00 0.00 H new ATOM 0 HE ARG A 87 -8.590 -8.734 1.472 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.816 -8.034 4.952 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -9.491 -9.627 5.308 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -9.367 -10.689 1.918 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -9.806 -11.151 3.566 1.00 0.00 H new ATOM 1360 N PHE A 88 -5.429 -2.333 0.193 1.00 0.00 N ATOM 1361 CA PHE A 88 -4.547 -1.178 0.191 1.00 0.00 C ATOM 1362 C PHE A 88 -5.402 0.066 0.426 1.00 0.00 C ATOM 1363 O PHE A 88 -6.635 0.004 0.355 1.00 0.00 O ATOM 1364 CB PHE A 88 -3.712 -1.134 -1.111 1.00 0.00 C ATOM 1365 CG PHE A 88 -4.416 -0.826 -2.428 1.00 0.00 C ATOM 1366 CD1 PHE A 88 -5.462 -1.641 -2.911 1.00 0.00 C ATOM 1367 CD2 PHE A 88 -3.952 0.241 -3.227 1.00 0.00 C ATOM 1368 CE1 PHE A 88 -6.069 -1.361 -4.147 1.00 0.00 C ATOM 1369 CE2 PHE A 88 -4.559 0.519 -4.465 1.00 0.00 C ATOM 1370 CZ PHE A 88 -5.622 -0.278 -4.923 1.00 0.00 C ATOM 0 H PHE A 88 -6.382 -2.111 -0.096 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.813 -1.234 0.995 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.928 -0.389 -0.975 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.219 -2.100 -1.219 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -5.798 -2.485 -2.327 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -3.126 0.848 -2.886 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -6.881 -1.979 -4.501 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -4.208 1.346 -5.064 1.00 0.00 H new ATOM 0 HZ PHE A 88 -6.094 -0.059 -5.869 1.00 0.00 H new ATOM 1380 N GLY A 89 -4.776 1.188 0.768 1.00 0.00 N ATOM 1381 CA GLY A 89 -5.498 2.365 1.220 1.00 0.00 C ATOM 1382 C GLY A 89 -4.544 3.494 1.561 1.00 0.00 C ATOM 1383 O GLY A 89 -3.377 3.476 1.169 1.00 0.00 O ATOM 0 H GLY A 89 -3.763 1.303 0.739 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.190 2.691 0.443 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -6.097 2.114 2.095 1.00 0.00 H new ATOM 1387 N ARG A 90 -5.046 4.506 2.265 1.00 0.00 N ATOM 1388 CA ARG A 90 -4.214 5.594 2.769 1.00 0.00 C ATOM 1389 C ARG A 90 -3.232 5.024 3.806 1.00 0.00 C ATOM 1390 O ARG A 90 -3.631 4.154 4.588 1.00 0.00 O ATOM 1391 CB ARG A 90 -5.115 6.675 3.398 1.00 0.00 C ATOM 1392 CG ARG A 90 -5.738 7.668 2.399 1.00 0.00 C ATOM 1393 CD ARG A 90 -6.391 7.086 1.136 1.00 0.00 C ATOM 1394 NE ARG A 90 -7.579 6.247 1.396 1.00 0.00 N ATOM 1395 CZ ARG A 90 -8.305 5.658 0.433 1.00 0.00 C ATOM 1396 NH1 ARG A 90 -7.952 5.757 -0.843 1.00 0.00 N ATOM 1397 NH2 ARG A 90 -9.382 4.951 0.748 1.00 0.00 N ATOM 0 H ARG A 90 -6.034 4.594 2.501 1.00 0.00 H new ATOM 0 HA ARG A 90 -3.646 6.050 1.958 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -5.918 6.183 3.946 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -4.529 7.236 4.126 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.491 8.251 2.929 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -4.959 8.363 2.085 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -6.677 7.907 0.478 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.651 6.491 0.600 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.864 6.107 2.365 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -7.119 6.286 -1.102 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -8.513 5.304 -1.564 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.661 4.854 1.724 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -9.932 4.505 0.014 1.00 0.00 H new