USER MOD reduce.3.24.130724 H: found=0, std=0, add=412, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 413 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 25 THR OG1 : rot -117:sc= -0.186 USER MOD Set 1.2: A 28 GLN : amide:sc= -0.679 K(o=-0.87,f=-2.3) USER MOD Single : A 23 THR OG1 : rot 17:sc= 0.649 USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.405 X(o=-0.41,f=-0.41) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= -0.144 USER MOD Single : A 40 SER OG : rot 7:sc= 0.985 USER MOD Single : A 41 ASN : amide:sc= -0.402 K(o=-0.4,f=-2.9!) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.121 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 160:sc= -2.32! (180deg=-4.09!) USER MOD Single : A 49 HIS : no HD1:sc=-0.00262 X(o=-0.0026,f=0) USER MOD Single : A 52 HIS : no HD1:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 157:sc= -0.097 (180deg=-0.81) USER MOD Single : A 62 GLN : amide:sc= -0.277 X(o=-0.28,f=0) USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 ASN : amide:sc= -2.55! C(o=-2.6!,f=-3.1!) USER MOD Single : A 68 THR OG1 : rot 70:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 301 N THR A 23 10.197 -6.813 -10.065 1.00 0.00 N ATOM 302 CA THR A 23 9.366 -5.653 -10.362 1.00 0.00 C ATOM 303 C THR A 23 7.942 -5.853 -9.858 1.00 0.00 C ATOM 304 O THR A 23 7.491 -6.984 -9.677 1.00 0.00 O ATOM 305 CB THR A 23 9.328 -5.362 -11.875 1.00 0.00 C ATOM 306 OG1 THR A 23 10.519 -5.853 -12.499 1.00 0.00 O ATOM 307 CG2 THR A 23 9.191 -3.869 -12.135 1.00 0.00 C ATOM 0 HA THR A 23 9.814 -4.803 -9.847 1.00 0.00 H new ATOM 0 HB THR A 23 8.462 -5.870 -12.299 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.960 -6.494 -11.903 1.00 0.00 H new ATOM 0 HG21 THR A 23 9.166 -3.688 -13.210 1.00 0.00 H new ATOM 0 HG22 THR A 23 8.268 -3.504 -11.684 1.00 0.00 H new ATOM 0 HG23 THR A 23 10.040 -3.344 -11.698 1.00 0.00 H new ATOM 315 N ILE A 24 7.238 -4.748 -9.634 1.00 0.00 N ATOM 316 CA ILE A 24 5.863 -4.804 -9.153 1.00 0.00 C ATOM 317 C ILE A 24 4.873 -4.778 -10.312 1.00 0.00 C ATOM 318 O ILE A 24 5.211 -4.369 -11.423 1.00 0.00 O ATOM 319 CB ILE A 24 5.552 -3.634 -8.201 1.00 0.00 C ATOM 320 CG1 ILE A 24 6.571 -3.591 -7.060 1.00 0.00 C ATOM 321 CG2 ILE A 24 4.139 -3.759 -7.651 1.00 0.00 C ATOM 322 CD1 ILE A 24 6.366 -2.432 -6.110 1.00 0.00 C ATOM 0 H ILE A 24 7.597 -3.804 -9.778 1.00 0.00 H new ATOM 0 HA ILE A 24 5.757 -5.743 -8.609 1.00 0.00 H new ATOM 0 HB ILE A 24 5.622 -2.702 -8.761 1.00 0.00 H new ATOM 0 HG12 ILE A 24 6.516 -4.524 -6.499 1.00 0.00 H new ATOM 0 HG13 ILE A 24 7.574 -3.531 -7.482 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.935 -2.925 -6.980 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.425 -3.745 -8.475 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.043 -4.697 -7.104 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.124 -2.465 -5.327 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.451 -1.493 -6.658 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.376 -2.501 -5.660 1.00 0.00 H new ATOM 334 N THR A 25 3.647 -5.217 -10.046 1.00 0.00 N ATOM 335 CA THR A 25 2.606 -5.244 -11.066 1.00 0.00 C ATOM 336 C THR A 25 1.512 -4.228 -10.762 1.00 0.00 C ATOM 337 O THR A 25 1.288 -3.845 -9.614 1.00 0.00 O ATOM 338 CB THR A 25 1.973 -6.643 -11.185 1.00 0.00 C ATOM 339 OG1 THR A 25 1.565 -7.108 -9.894 1.00 0.00 O ATOM 340 CG2 THR A 25 2.954 -7.631 -11.799 1.00 0.00 C ATOM 0 H THR A 25 3.350 -5.559 -9.132 1.00 0.00 H new ATOM 0 HA THR A 25 3.083 -4.987 -12.012 1.00 0.00 H new ATOM 0 HB THR A 25 1.102 -6.569 -11.836 1.00 0.00 H new ATOM 0 HG1 THR A 25 2.073 -7.913 -9.661 1.00 0.00 H new ATOM 0 HG21 THR A 25 2.484 -8.612 -11.873 1.00 0.00 H new ATOM 0 HG22 THR A 25 3.239 -7.290 -12.794 1.00 0.00 H new ATOM 0 HG23 THR A 25 3.842 -7.700 -11.171 1.00 0.00 H new ATOM 348 N PRO A 26 0.811 -3.779 -11.814 1.00 0.00 N ATOM 349 CA PRO A 26 -0.273 -2.801 -11.685 1.00 0.00 C ATOM 350 C PRO A 26 -1.500 -3.385 -10.993 1.00 0.00 C ATOM 351 O PRO A 26 -2.397 -2.651 -10.578 1.00 0.00 O ATOM 352 CB PRO A 26 -0.599 -2.438 -13.136 1.00 0.00 C ATOM 353 CG PRO A 26 -0.170 -3.624 -13.928 1.00 0.00 C ATOM 354 CD PRO A 26 1.024 -4.191 -13.212 1.00 0.00 C ATOM 0 HA PRO A 26 0.019 -1.947 -11.074 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -1.663 -2.239 -13.265 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -0.067 -1.540 -13.449 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.971 -4.360 -13.993 1.00 0.00 H new ATOM 0 HG3 PRO A 26 0.086 -3.340 -14.949 1.00 0.00 H new ATOM 0 HD2 PRO A 26 1.073 -5.276 -13.308 1.00 0.00 H new ATOM 0 HD3 PRO A 26 1.958 -3.794 -13.610 1.00 0.00 H new ATOM 362 N GLU A 27 -1.532 -4.708 -10.872 1.00 0.00 N ATOM 363 CA GLU A 27 -2.651 -5.389 -10.230 1.00 0.00 C ATOM 364 C GLU A 27 -2.340 -5.683 -8.766 1.00 0.00 C ATOM 365 O GLU A 27 -3.247 -5.875 -7.955 1.00 0.00 O ATOM 366 CB GLU A 27 -2.974 -6.691 -10.966 1.00 0.00 C ATOM 367 CG GLU A 27 -3.293 -6.495 -12.439 1.00 0.00 C ATOM 368 CD GLU A 27 -4.214 -7.569 -12.984 1.00 0.00 C ATOM 369 OE1 GLU A 27 -3.828 -8.756 -12.951 1.00 0.00 O ATOM 370 OE2 GLU A 27 -5.322 -7.222 -13.445 1.00 0.00 O ATOM 0 H GLU A 27 -0.797 -5.329 -11.210 1.00 0.00 H new ATOM 0 HA GLU A 27 -3.518 -4.730 -10.274 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -2.127 -7.370 -10.874 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -3.823 -7.172 -10.480 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -3.756 -5.518 -12.580 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -2.365 -6.493 -13.011 1.00 0.00 H new ATOM 377 N GLN A 28 -1.053 -5.718 -8.435 1.00 0.00 N ATOM 378 CA GLN A 28 -0.623 -5.990 -7.069 1.00 0.00 C ATOM 379 C GLN A 28 -0.540 -4.701 -6.257 1.00 0.00 C ATOM 380 O GLN A 28 -0.968 -4.654 -5.103 1.00 0.00 O ATOM 381 CB GLN A 28 0.735 -6.694 -7.070 1.00 0.00 C ATOM 382 CG GLN A 28 0.645 -8.187 -7.341 1.00 0.00 C ATOM 383 CD GLN A 28 2.007 -8.847 -7.432 1.00 0.00 C ATOM 384 OE1 GLN A 28 2.716 -8.699 -8.428 1.00 0.00 O ATOM 385 NE2 GLN A 28 2.382 -9.579 -6.390 1.00 0.00 N ATOM 0 H GLN A 28 -0.290 -5.561 -9.094 1.00 0.00 H new ATOM 0 HA GLN A 28 -1.363 -6.643 -6.606 1.00 0.00 H new ATOM 0 HB2 GLN A 28 1.373 -6.234 -7.824 1.00 0.00 H new ATOM 0 HB3 GLN A 28 1.217 -6.537 -6.105 1.00 0.00 H new ATOM 0 HG2 GLN A 28 0.068 -8.662 -6.548 1.00 0.00 H new ATOM 0 HG3 GLN A 28 0.103 -8.351 -8.272 1.00 0.00 H new ATOM 0 HE21 GLN A 28 1.763 -9.675 -5.585 1.00 0.00 H new ATOM 0 HE22 GLN A 28 3.289 -10.045 -6.394 1.00 0.00 H new ATOM 394 N LEU A 29 0.012 -3.659 -6.867 1.00 0.00 N ATOM 395 CA LEU A 29 0.152 -2.368 -6.201 1.00 0.00 C ATOM 396 C LEU A 29 -1.118 -2.010 -5.436 1.00 0.00 C ATOM 397 O LEU A 29 -1.076 -1.744 -4.235 1.00 0.00 O ATOM 398 CB LEU A 29 0.470 -1.276 -7.223 1.00 0.00 C ATOM 399 CG LEU A 29 1.949 -1.075 -7.552 1.00 0.00 C ATOM 400 CD1 LEU A 29 2.116 -0.577 -8.980 1.00 0.00 C ATOM 401 CD2 LEU A 29 2.588 -0.105 -6.569 1.00 0.00 C ATOM 0 H LEU A 29 0.370 -3.682 -7.822 1.00 0.00 H new ATOM 0 HA LEU A 29 0.975 -2.441 -5.490 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -0.059 -1.506 -8.148 1.00 0.00 H new ATOM 0 HB3 LEU A 29 0.069 -0.332 -6.853 1.00 0.00 H new ATOM 0 HG LEU A 29 2.454 -2.037 -7.463 1.00 0.00 H new ATOM 0 HD11 LEU A 29 3.176 -0.440 -9.196 1.00 0.00 H new ATOM 0 HD12 LEU A 29 1.696 -1.308 -9.672 1.00 0.00 H new ATOM 0 HD13 LEU A 29 1.596 0.374 -9.097 1.00 0.00 H new ATOM 0 HD21 LEU A 29 3.641 0.026 -6.819 1.00 0.00 H new ATOM 0 HD22 LEU A 29 2.080 0.858 -6.625 1.00 0.00 H new ATOM 0 HD23 LEU A 29 2.502 -0.502 -5.558 1.00 0.00 H new ATOM 413 N GLU A 30 -2.246 -2.009 -6.139 1.00 0.00 N ATOM 414 CA GLU A 30 -3.528 -1.685 -5.525 1.00 0.00 C ATOM 415 C GLU A 30 -3.579 -2.174 -4.080 1.00 0.00 C ATOM 416 O GLU A 30 -3.797 -1.390 -3.156 1.00 0.00 O ATOM 417 CB GLU A 30 -4.674 -2.307 -6.325 1.00 0.00 C ATOM 418 CG GLU A 30 -4.568 -2.072 -7.823 1.00 0.00 C ATOM 419 CD GLU A 30 -4.416 -0.604 -8.173 1.00 0.00 C ATOM 420 OE1 GLU A 30 -3.470 0.032 -7.663 1.00 0.00 O ATOM 421 OE2 GLU A 30 -5.242 -0.092 -8.957 1.00 0.00 O ATOM 0 H GLU A 30 -2.298 -2.229 -7.134 1.00 0.00 H new ATOM 0 HA GLU A 30 -3.639 -0.601 -5.528 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -4.698 -3.380 -6.135 1.00 0.00 H new ATOM 0 HB3 GLU A 30 -5.619 -1.898 -5.968 1.00 0.00 H new ATOM 0 HG2 GLU A 30 -3.714 -2.625 -8.215 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -5.457 -2.469 -8.313 1.00 0.00 H new ATOM 428 N ILE A 31 -3.376 -3.474 -3.895 1.00 0.00 N ATOM 429 CA ILE A 31 -3.397 -4.068 -2.564 1.00 0.00 C ATOM 430 C ILE A 31 -2.433 -3.350 -1.626 1.00 0.00 C ATOM 431 O ILE A 31 -2.794 -2.989 -0.504 1.00 0.00 O ATOM 432 CB ILE A 31 -3.033 -5.564 -2.609 1.00 0.00 C ATOM 433 CG1 ILE A 31 -3.951 -6.305 -3.582 1.00 0.00 C ATOM 434 CG2 ILE A 31 -3.125 -6.173 -1.218 1.00 0.00 C ATOM 435 CD1 ILE A 31 -3.354 -7.587 -4.119 1.00 0.00 C ATOM 0 H ILE A 31 -3.195 -4.136 -4.650 1.00 0.00 H new ATOM 0 HA ILE A 31 -4.414 -3.961 -2.187 1.00 0.00 H new ATOM 0 HB ILE A 31 -2.006 -5.663 -2.961 1.00 0.00 H new ATOM 0 HG12 ILE A 31 -4.891 -6.534 -3.079 1.00 0.00 H new ATOM 0 HG13 ILE A 31 -4.189 -5.647 -4.417 1.00 0.00 H new ATOM 0 HG21 ILE A 31 -2.865 -7.230 -1.266 1.00 0.00 H new ATOM 0 HG22 ILE A 31 -2.434 -5.659 -0.549 1.00 0.00 H new ATOM 0 HG23 ILE A 31 -4.142 -6.066 -0.841 1.00 0.00 H new ATOM 0 HD11 ILE A 31 -4.060 -8.059 -4.802 1.00 0.00 H new ATOM 0 HD12 ILE A 31 -2.429 -7.363 -4.651 1.00 0.00 H new ATOM 0 HD13 ILE A 31 -3.142 -8.264 -3.292 1.00 0.00 H new ATOM 447 N LEU A 32 -1.207 -3.143 -2.092 1.00 0.00 N ATOM 448 CA LEU A 32 -0.190 -2.466 -1.295 1.00 0.00 C ATOM 449 C LEU A 32 -0.646 -1.063 -0.908 1.00 0.00 C ATOM 450 O LEU A 32 -0.579 -0.677 0.259 1.00 0.00 O ATOM 451 CB LEU A 32 1.127 -2.390 -2.071 1.00 0.00 C ATOM 452 CG LEU A 32 1.620 -3.700 -2.685 1.00 0.00 C ATOM 453 CD1 LEU A 32 2.855 -3.458 -3.538 1.00 0.00 C ATOM 454 CD2 LEU A 32 1.914 -4.722 -1.596 1.00 0.00 C ATOM 0 H LEU A 32 -0.893 -3.434 -3.018 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.035 -3.042 -0.383 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.013 -1.658 -2.870 1.00 0.00 H new ATOM 0 HB3 LEU A 32 1.899 -2.013 -1.401 1.00 0.00 H new ATOM 0 HG LEU A 32 0.833 -4.097 -3.326 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.192 -4.402 -3.967 1.00 0.00 H new ATOM 0 HD12 LEU A 32 2.612 -2.761 -4.340 1.00 0.00 H new ATOM 0 HD13 LEU A 32 3.648 -3.037 -2.919 1.00 0.00 H new ATOM 0 HD21 LEU A 32 2.264 -5.648 -2.051 1.00 0.00 H new ATOM 0 HD22 LEU A 32 2.683 -4.332 -0.929 1.00 0.00 H new ATOM 0 HD23 LEU A 32 1.006 -4.918 -1.026 1.00 0.00 H new ATOM 466 N TYR A 33 -1.113 -0.305 -1.895 1.00 0.00 N ATOM 467 CA TYR A 33 -1.581 1.055 -1.658 1.00 0.00 C ATOM 468 C TYR A 33 -2.722 1.070 -0.645 1.00 0.00 C ATOM 469 O TYR A 33 -2.732 1.879 0.282 1.00 0.00 O ATOM 470 CB TYR A 33 -2.039 1.695 -2.969 1.00 0.00 C ATOM 471 CG TYR A 33 -0.906 2.255 -3.799 1.00 0.00 C ATOM 472 CD1 TYR A 33 -0.079 3.253 -3.297 1.00 0.00 C ATOM 473 CD2 TYR A 33 -0.662 1.786 -5.084 1.00 0.00 C ATOM 474 CE1 TYR A 33 0.957 3.768 -4.052 1.00 0.00 C ATOM 475 CE2 TYR A 33 0.373 2.294 -5.845 1.00 0.00 C ATOM 476 CZ TYR A 33 1.180 3.285 -5.324 1.00 0.00 C ATOM 477 OH TYR A 33 2.211 3.794 -6.080 1.00 0.00 O ATOM 0 H TYR A 33 -1.177 -0.610 -2.866 1.00 0.00 H new ATOM 0 HA TYR A 33 -0.751 1.632 -1.251 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -2.576 0.952 -3.558 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -2.744 2.495 -2.746 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.249 3.632 -2.300 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -1.292 1.011 -5.495 1.00 0.00 H new ATOM 0 HE1 TYR A 33 1.589 4.545 -3.648 1.00 0.00 H new ATOM 0 HE2 TYR A 33 0.550 1.918 -6.842 1.00 0.00 H new ATOM 0 HH TYR A 33 2.231 3.344 -6.951 1.00 0.00 H new ATOM 487 N GLN A 34 -3.681 0.169 -0.832 1.00 0.00 N ATOM 488 CA GLN A 34 -4.828 0.078 0.065 1.00 0.00 C ATOM 489 C GLN A 34 -4.386 -0.285 1.478 1.00 0.00 C ATOM 490 O GLN A 34 -4.913 0.239 2.460 1.00 0.00 O ATOM 491 CB GLN A 34 -5.825 -0.960 -0.453 1.00 0.00 C ATOM 492 CG GLN A 34 -6.852 -0.388 -1.418 1.00 0.00 C ATOM 493 CD GLN A 34 -7.629 0.770 -0.825 1.00 0.00 C ATOM 494 OE1 GLN A 34 -7.644 1.871 -1.377 1.00 0.00 O ATOM 495 NE2 GLN A 34 -8.282 0.528 0.306 1.00 0.00 N ATOM 0 H GLN A 34 -3.687 -0.508 -1.595 1.00 0.00 H new ATOM 0 HA GLN A 34 -5.313 1.054 0.095 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -5.278 -1.761 -0.950 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -6.344 -1.407 0.394 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -6.347 -0.055 -2.325 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -7.547 -1.175 -1.711 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -8.242 -0.399 0.729 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -8.823 1.269 0.751 1.00 0.00 H new ATOM 504 N LYS A 35 -3.415 -1.187 1.576 1.00 0.00 N ATOM 505 CA LYS A 35 -2.900 -1.621 2.870 1.00 0.00 C ATOM 506 C LYS A 35 -2.045 -0.531 3.508 1.00 0.00 C ATOM 507 O LYS A 35 -2.008 -0.395 4.731 1.00 0.00 O ATOM 508 CB LYS A 35 -2.078 -2.902 2.711 1.00 0.00 C ATOM 509 CG LYS A 35 -2.885 -4.084 2.203 1.00 0.00 C ATOM 510 CD LYS A 35 -3.605 -4.795 3.336 1.00 0.00 C ATOM 511 CE LYS A 35 -4.643 -5.775 2.809 1.00 0.00 C ATOM 512 NZ LYS A 35 -5.916 -5.093 2.448 1.00 0.00 N ATOM 0 H LYS A 35 -2.968 -1.632 0.774 1.00 0.00 H new ATOM 0 HA LYS A 35 -3.749 -1.821 3.523 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -1.255 -2.712 2.022 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -1.636 -3.161 3.673 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -3.612 -3.740 1.468 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.224 -4.785 1.694 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -2.880 -5.327 3.952 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -4.090 -4.060 3.978 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.246 -6.289 1.934 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.840 -6.536 3.564 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -6.597 -5.794 2.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -6.309 -4.623 3.289 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -5.733 -4.384 1.709 1.00 0.00 H new ATOM 526 N TYR A 36 -1.361 0.243 2.673 1.00 0.00 N ATOM 527 CA TYR A 36 -0.506 1.321 3.157 1.00 0.00 C ATOM 528 C TYR A 36 -1.341 2.473 3.709 1.00 0.00 C ATOM 529 O TYR A 36 -1.105 2.950 4.819 1.00 0.00 O ATOM 530 CB TYR A 36 0.400 1.825 2.033 1.00 0.00 C ATOM 531 CG TYR A 36 1.170 3.076 2.390 1.00 0.00 C ATOM 532 CD1 TYR A 36 2.243 3.027 3.271 1.00 0.00 C ATOM 533 CD2 TYR A 36 0.824 4.307 1.846 1.00 0.00 C ATOM 534 CE1 TYR A 36 2.949 4.168 3.601 1.00 0.00 C ATOM 535 CE2 TYR A 36 1.525 5.453 2.170 1.00 0.00 C ATOM 536 CZ TYR A 36 2.586 5.379 3.048 1.00 0.00 C ATOM 537 OH TYR A 36 3.287 6.517 3.373 1.00 0.00 O ATOM 0 H TYR A 36 -1.382 0.144 1.658 1.00 0.00 H new ATOM 0 HA TYR A 36 0.112 0.926 3.963 1.00 0.00 H new ATOM 0 HB2 TYR A 36 1.106 1.038 1.766 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -0.207 2.022 1.149 1.00 0.00 H new ATOM 0 HD1 TYR A 36 2.530 2.081 3.705 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -0.007 4.369 1.159 1.00 0.00 H new ATOM 0 HE1 TYR A 36 3.780 4.112 4.288 1.00 0.00 H new ATOM 0 HE2 TYR A 36 1.243 6.402 1.738 1.00 0.00 H new ATOM 0 HH TYR A 36 2.904 7.284 2.898 1.00 0.00 H new ATOM 547 N LEU A 37 -2.318 2.915 2.925 1.00 0.00 N ATOM 548 CA LEU A 37 -3.190 4.011 3.333 1.00 0.00 C ATOM 549 C LEU A 37 -3.781 3.750 4.714 1.00 0.00 C ATOM 550 O LEU A 37 -3.907 4.664 5.530 1.00 0.00 O ATOM 551 CB LEU A 37 -4.313 4.202 2.312 1.00 0.00 C ATOM 552 CG LEU A 37 -3.875 4.567 0.893 1.00 0.00 C ATOM 553 CD1 LEU A 37 -4.902 4.089 -0.122 1.00 0.00 C ATOM 554 CD2 LEU A 37 -3.661 6.069 0.771 1.00 0.00 C ATOM 0 H LEU A 37 -2.526 2.531 2.003 1.00 0.00 H new ATOM 0 HA LEU A 37 -2.592 4.921 3.380 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -4.895 3.282 2.266 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -4.980 4.983 2.677 1.00 0.00 H new ATOM 0 HG LEU A 37 -2.929 4.067 0.685 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -4.574 4.358 -1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -5.006 3.006 -0.052 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -5.863 4.560 0.083 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -3.350 6.311 -0.245 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -4.592 6.589 0.999 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -2.888 6.385 1.472 1.00 0.00 H new ATOM 566 N LEU A 38 -4.141 2.498 4.971 1.00 0.00 N ATOM 567 CA LEU A 38 -4.718 2.115 6.256 1.00 0.00 C ATOM 568 C LEU A 38 -3.624 1.814 7.275 1.00 0.00 C ATOM 569 O LEU A 38 -3.780 2.084 8.466 1.00 0.00 O ATOM 570 CB LEU A 38 -5.624 0.895 6.087 1.00 0.00 C ATOM 571 CG LEU A 38 -4.941 -0.469 6.195 1.00 0.00 C ATOM 572 CD1 LEU A 38 -4.928 -0.947 7.638 1.00 0.00 C ATOM 573 CD2 LEU A 38 -5.636 -1.485 5.301 1.00 0.00 C ATOM 0 H LEU A 38 -4.044 1.730 4.307 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.312 2.952 6.624 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -6.411 0.945 6.839 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.109 0.960 5.113 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.909 -0.365 5.859 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.438 -1.919 7.695 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.385 -0.230 8.254 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.952 -1.035 8.001 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.137 -2.450 5.390 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.678 -1.586 5.606 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -5.592 -1.148 4.265 1.00 0.00 H new ATOM 585 N ASP A 39 -2.517 1.255 6.800 1.00 0.00 N ATOM 586 CA ASP A 39 -1.395 0.920 7.669 1.00 0.00 C ATOM 587 C ASP A 39 -0.074 1.358 7.045 1.00 0.00 C ATOM 588 O ASP A 39 0.430 0.719 6.122 1.00 0.00 O ATOM 589 CB ASP A 39 -1.368 -0.584 7.946 1.00 0.00 C ATOM 590 CG ASP A 39 -0.771 -0.914 9.300 1.00 0.00 C ATOM 591 OD1 ASP A 39 0.045 -0.111 9.798 1.00 0.00 O ATOM 592 OD2 ASP A 39 -1.120 -1.974 9.861 1.00 0.00 O ATOM 0 H ASP A 39 -2.372 1.024 5.817 1.00 0.00 H new ATOM 0 HA ASP A 39 -1.526 1.453 8.611 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -2.383 -0.978 7.894 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -0.792 -1.083 7.167 1.00 0.00 H new ATOM 597 N SER A 40 0.481 2.453 7.555 1.00 0.00 N ATOM 598 CA SER A 40 1.741 2.980 7.045 1.00 0.00 C ATOM 599 C SER A 40 2.891 2.650 7.991 1.00 0.00 C ATOM 600 O SER A 40 4.053 2.921 7.692 1.00 0.00 O ATOM 601 CB SER A 40 1.644 4.494 6.850 1.00 0.00 C ATOM 602 OG SER A 40 0.675 4.821 5.869 1.00 0.00 O ATOM 0 H SER A 40 0.078 2.992 8.321 1.00 0.00 H new ATOM 0 HA SER A 40 1.939 2.509 6.082 1.00 0.00 H new ATOM 0 HB2 SER A 40 1.384 4.970 7.796 1.00 0.00 H new ATOM 0 HB3 SER A 40 2.615 4.888 6.552 1.00 0.00 H new ATOM 0 HG SER A 40 0.190 4.011 5.606 1.00 0.00 H new ATOM 608 N ASN A 41 2.557 2.064 9.136 1.00 0.00 N ATOM 609 CA ASN A 41 3.561 1.697 10.129 1.00 0.00 C ATOM 610 C ASN A 41 3.375 0.253 10.583 1.00 0.00 C ATOM 611 O ASN A 41 3.369 -0.054 11.775 1.00 0.00 O ATOM 612 CB ASN A 41 3.483 2.636 11.334 1.00 0.00 C ATOM 613 CG ASN A 41 4.388 3.844 11.185 1.00 0.00 C ATOM 614 OD1 ASN A 41 5.601 3.710 11.026 1.00 0.00 O ATOM 615 ND2 ASN A 41 3.799 5.034 11.236 1.00 0.00 N ATOM 0 H ASN A 41 1.599 1.833 9.400 1.00 0.00 H new ATOM 0 HA ASN A 41 4.544 1.790 9.667 1.00 0.00 H new ATOM 0 HB2 ASN A 41 2.454 2.970 11.465 1.00 0.00 H new ATOM 0 HB3 ASN A 41 3.757 2.089 12.236 1.00 0.00 H new ATOM 0 HD21 ASN A 41 4.356 5.883 11.142 1.00 0.00 H new ATOM 0 HD22 ASN A 41 2.790 5.098 11.369 1.00 0.00 H new ATOM 622 N PRO A 42 3.219 -0.658 9.610 1.00 0.00 N ATOM 623 CA PRO A 42 3.032 -2.086 9.885 1.00 0.00 C ATOM 624 C PRO A 42 4.295 -2.742 10.432 1.00 0.00 C ATOM 625 O PRO A 42 5.394 -2.201 10.303 1.00 0.00 O ATOM 626 CB PRO A 42 2.678 -2.667 8.514 1.00 0.00 C ATOM 627 CG PRO A 42 3.288 -1.726 7.534 1.00 0.00 C ATOM 628 CD PRO A 42 3.216 -0.364 8.167 1.00 0.00 C ATOM 0 HA PRO A 42 2.271 -2.258 10.646 1.00 0.00 H new ATOM 0 HB2 PRO A 42 3.077 -3.675 8.396 1.00 0.00 H new ATOM 0 HB3 PRO A 42 1.598 -2.734 8.379 1.00 0.00 H new ATOM 0 HG2 PRO A 42 4.320 -2.002 7.319 1.00 0.00 H new ATOM 0 HG3 PRO A 42 2.749 -1.745 6.587 1.00 0.00 H new ATOM 0 HD2 PRO A 42 4.065 0.257 7.882 1.00 0.00 H new ATOM 0 HD3 PRO A 42 2.315 0.171 7.868 1.00 0.00 H new ATOM 636 N THR A 43 4.132 -3.911 11.042 1.00 0.00 N ATOM 637 CA THR A 43 5.258 -4.641 11.609 1.00 0.00 C ATOM 638 C THR A 43 5.698 -5.775 10.690 1.00 0.00 C ATOM 639 O THR A 43 4.931 -6.232 9.842 1.00 0.00 O ATOM 640 CB THR A 43 4.912 -5.223 12.993 1.00 0.00 C ATOM 641 OG1 THR A 43 6.046 -5.911 13.533 1.00 0.00 O ATOM 642 CG2 THR A 43 3.731 -6.176 12.899 1.00 0.00 C ATOM 0 H THR A 43 3.230 -4.373 11.156 1.00 0.00 H new ATOM 0 HA THR A 43 6.074 -3.927 11.717 1.00 0.00 H new ATOM 0 HB THR A 43 4.641 -4.398 13.652 1.00 0.00 H new ATOM 0 HG1 THR A 43 5.818 -6.276 14.413 1.00 0.00 H new ATOM 0 HG21 THR A 43 3.505 -6.574 13.888 1.00 0.00 H new ATOM 0 HG22 THR A 43 2.862 -5.641 12.516 1.00 0.00 H new ATOM 0 HG23 THR A 43 3.978 -6.996 12.225 1.00 0.00 H new ATOM 650 N ARG A 44 6.937 -6.225 10.863 1.00 0.00 N ATOM 651 CA ARG A 44 7.478 -7.305 10.048 1.00 0.00 C ATOM 652 C ARG A 44 6.409 -8.354 9.755 1.00 0.00 C ATOM 653 O ARG A 44 6.292 -8.840 8.630 1.00 0.00 O ATOM 654 CB ARG A 44 8.668 -7.958 10.754 1.00 0.00 C ATOM 655 CG ARG A 44 9.972 -7.198 10.579 1.00 0.00 C ATOM 656 CD ARG A 44 10.504 -7.324 9.160 1.00 0.00 C ATOM 657 NE ARG A 44 10.814 -8.709 8.813 1.00 0.00 N ATOM 658 CZ ARG A 44 11.838 -9.383 9.323 1.00 0.00 C ATOM 659 NH1 ARG A 44 12.646 -8.804 10.200 1.00 0.00 N ATOM 660 NH2 ARG A 44 12.054 -10.641 8.958 1.00 0.00 N ATOM 0 H ARG A 44 7.584 -5.858 11.560 1.00 0.00 H new ATOM 0 HA ARG A 44 7.813 -6.879 9.102 1.00 0.00 H new ATOM 0 HB2 ARG A 44 8.447 -8.043 11.818 1.00 0.00 H new ATOM 0 HB3 ARG A 44 8.794 -8.971 10.373 1.00 0.00 H new ATOM 0 HG2 ARG A 44 9.816 -6.146 10.818 1.00 0.00 H new ATOM 0 HG3 ARG A 44 10.713 -7.578 11.282 1.00 0.00 H new ATOM 0 HD2 ARG A 44 9.767 -6.931 8.460 1.00 0.00 H new ATOM 0 HD3 ARG A 44 11.401 -6.714 9.054 1.00 0.00 H new ATOM 0 HE ARG A 44 10.211 -9.184 8.142 1.00 0.00 H new ATOM 0 HH11 ARG A 44 12.482 -7.838 10.485 1.00 0.00 H new ATOM 0 HH12 ARG A 44 13.432 -9.324 10.590 1.00 0.00 H new ATOM 0 HH21 ARG A 44 11.433 -11.091 8.285 1.00 0.00 H new ATOM 0 HH22 ARG A 44 12.841 -11.158 9.350 1.00 0.00 H new ATOM 674 N LYS A 45 5.630 -8.698 10.776 1.00 0.00 N ATOM 675 CA LYS A 45 4.570 -9.688 10.629 1.00 0.00 C ATOM 676 C LYS A 45 3.641 -9.324 9.475 1.00 0.00 C ATOM 677 O LYS A 45 3.440 -10.115 8.554 1.00 0.00 O ATOM 678 CB LYS A 45 3.767 -9.802 11.927 1.00 0.00 C ATOM 679 CG LYS A 45 2.963 -11.086 12.035 1.00 0.00 C ATOM 680 CD LYS A 45 3.855 -12.280 12.328 1.00 0.00 C ATOM 681 CE LYS A 45 3.042 -13.554 12.504 1.00 0.00 C ATOM 682 NZ LYS A 45 3.886 -14.691 12.965 1.00 0.00 N ATOM 0 H LYS A 45 5.713 -8.306 11.714 1.00 0.00 H new ATOM 0 HA LYS A 45 5.034 -10.650 10.410 1.00 0.00 H new ATOM 0 HB2 LYS A 45 4.451 -9.739 12.774 1.00 0.00 H new ATOM 0 HB3 LYS A 45 3.089 -8.952 12.001 1.00 0.00 H new ATOM 0 HG2 LYS A 45 2.218 -10.985 12.825 1.00 0.00 H new ATOM 0 HG3 LYS A 45 2.420 -11.256 11.105 1.00 0.00 H new ATOM 0 HD2 LYS A 45 4.568 -12.412 11.514 1.00 0.00 H new ATOM 0 HD3 LYS A 45 4.435 -12.089 13.231 1.00 0.00 H new ATOM 0 HE2 LYS A 45 2.244 -13.379 13.225 1.00 0.00 H new ATOM 0 HE3 LYS A 45 2.566 -13.815 11.559 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 3.295 -15.540 13.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 4.633 -14.875 12.265 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 4.320 -14.453 13.880 1.00 0.00 H new ATOM 696 N MET A 46 3.078 -8.121 9.532 1.00 0.00 N ATOM 697 CA MET A 46 2.172 -7.652 8.490 1.00 0.00 C ATOM 698 C MET A 46 2.848 -7.696 7.123 1.00 0.00 C ATOM 699 O MET A 46 2.335 -8.309 6.185 1.00 0.00 O ATOM 700 CB MET A 46 1.704 -6.228 8.794 1.00 0.00 C ATOM 701 CG MET A 46 1.102 -6.070 10.181 1.00 0.00 C ATOM 702 SD MET A 46 -0.681 -6.337 10.198 1.00 0.00 S ATOM 703 CE MET A 46 -0.776 -8.028 9.614 1.00 0.00 C ATOM 0 H MET A 46 3.233 -7.454 10.288 1.00 0.00 H new ATOM 0 HA MET A 46 1.307 -8.314 8.470 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.549 -5.547 8.694 1.00 0.00 H new ATOM 0 HB3 MET A 46 0.965 -5.930 8.050 1.00 0.00 H new ATOM 0 HG2 MET A 46 1.578 -6.776 10.862 1.00 0.00 H new ATOM 0 HG3 MET A 46 1.319 -5.070 10.556 1.00 0.00 H new ATOM 0 HE1 MET A 46 -1.737 -8.457 9.897 1.00 0.00 H new ATOM 0 HE2 MET A 46 -0.676 -8.044 8.529 1.00 0.00 H new ATOM 0 HE3 MET A 46 0.028 -8.613 10.061 1.00 0.00 H new ATOM 713 N LEU A 47 4.000 -7.043 7.015 1.00 0.00 N ATOM 714 CA LEU A 47 4.745 -7.008 5.762 1.00 0.00 C ATOM 715 C LEU A 47 4.888 -8.408 5.173 1.00 0.00 C ATOM 716 O LEU A 47 4.779 -8.597 3.962 1.00 0.00 O ATOM 717 CB LEU A 47 6.128 -6.394 5.986 1.00 0.00 C ATOM 718 CG LEU A 47 6.149 -4.925 6.412 1.00 0.00 C ATOM 719 CD1 LEU A 47 7.558 -4.502 6.799 1.00 0.00 C ATOM 720 CD2 LEU A 47 5.610 -4.039 5.299 1.00 0.00 C ATOM 0 H LEU A 47 4.438 -6.531 7.780 1.00 0.00 H new ATOM 0 HA LEU A 47 4.190 -6.392 5.055 1.00 0.00 H new ATOM 0 HB2 LEU A 47 6.645 -6.980 6.746 1.00 0.00 H new ATOM 0 HB3 LEU A 47 6.701 -6.492 5.064 1.00 0.00 H new ATOM 0 HG LEU A 47 5.505 -4.810 7.284 1.00 0.00 H new ATOM 0 HD11 LEU A 47 7.554 -3.454 7.099 1.00 0.00 H new ATOM 0 HD12 LEU A 47 7.907 -5.116 7.629 1.00 0.00 H new ATOM 0 HD13 LEU A 47 8.224 -4.632 5.946 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.632 -2.998 5.620 1.00 0.00 H new ATOM 0 HD22 LEU A 47 6.227 -4.158 4.408 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.584 -4.326 5.070 1.00 0.00 H new ATOM 732 N ASP A 48 5.129 -9.386 6.039 1.00 0.00 N ATOM 733 CA ASP A 48 5.283 -10.770 5.606 1.00 0.00 C ATOM 734 C ASP A 48 3.970 -11.315 5.051 1.00 0.00 C ATOM 735 O ASP A 48 3.936 -11.896 3.966 1.00 0.00 O ATOM 736 CB ASP A 48 5.761 -11.641 6.768 1.00 0.00 C ATOM 737 CG ASP A 48 6.324 -12.970 6.304 1.00 0.00 C ATOM 738 OD1 ASP A 48 7.262 -12.961 5.479 1.00 0.00 O ATOM 739 OD2 ASP A 48 5.827 -14.018 6.765 1.00 0.00 O ATOM 0 H ASP A 48 5.222 -9.246 7.045 1.00 0.00 H new ATOM 0 HA ASP A 48 6.030 -10.795 4.813 1.00 0.00 H new ATOM 0 HB2 ASP A 48 6.524 -11.103 7.331 1.00 0.00 H new ATOM 0 HB3 ASP A 48 4.929 -11.820 7.449 1.00 0.00 H new ATOM 744 N HIS A 49 2.891 -11.124 5.804 1.00 0.00 N ATOM 745 CA HIS A 49 1.576 -11.597 5.388 1.00 0.00 C ATOM 746 C HIS A 49 1.141 -10.922 4.091 1.00 0.00 C ATOM 747 O HIS A 49 0.884 -11.589 3.089 1.00 0.00 O ATOM 748 CB HIS A 49 0.545 -11.332 6.486 1.00 0.00 C ATOM 749 CG HIS A 49 -0.811 -11.892 6.183 1.00 0.00 C ATOM 750 ND1 HIS A 49 -1.195 -13.168 6.540 1.00 0.00 N ATOM 751 CD2 HIS A 49 -1.875 -11.343 5.553 1.00 0.00 C ATOM 752 CE1 HIS A 49 -2.437 -13.379 6.142 1.00 0.00 C ATOM 753 NE2 HIS A 49 -2.873 -12.287 5.541 1.00 0.00 N ATOM 0 H HIS A 49 2.902 -10.645 6.705 1.00 0.00 H new ATOM 0 HA HIS A 49 1.642 -12.671 5.213 1.00 0.00 H new ATOM 0 HB2 HIS A 49 0.905 -11.760 7.422 1.00 0.00 H new ATOM 0 HB3 HIS A 49 0.459 -10.256 6.640 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -1.930 -10.348 5.137 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -3.000 -14.290 6.284 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -3.800 -12.164 5.134 1.00 0.00 H new ATOM 762 N ILE A 50 1.060 -9.596 4.119 1.00 0.00 N ATOM 763 CA ILE A 50 0.656 -8.831 2.945 1.00 0.00 C ATOM 764 C ILE A 50 1.403 -9.298 1.701 1.00 0.00 C ATOM 765 O ILE A 50 0.800 -9.539 0.656 1.00 0.00 O ATOM 766 CB ILE A 50 0.903 -7.324 3.143 1.00 0.00 C ATOM 767 CG1 ILE A 50 0.095 -6.804 4.334 1.00 0.00 C ATOM 768 CG2 ILE A 50 0.544 -6.558 1.878 1.00 0.00 C ATOM 769 CD1 ILE A 50 0.751 -5.643 5.049 1.00 0.00 C ATOM 0 H ILE A 50 1.269 -9.029 4.941 1.00 0.00 H new ATOM 0 HA ILE A 50 -0.412 -9.001 2.810 1.00 0.00 H new ATOM 0 HB ILE A 50 1.962 -7.169 3.351 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -0.891 -6.496 3.987 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.057 -7.618 5.043 1.00 0.00 H new ATOM 0 HG21 ILE A 50 0.724 -5.494 2.033 1.00 0.00 H new ATOM 0 HG22 ILE A 50 1.159 -6.913 1.051 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -0.508 -6.717 1.642 1.00 0.00 H new ATOM 0 HD11 ILE A 50 0.123 -5.327 5.882 1.00 0.00 H new ATOM 0 HD12 ILE A 50 1.726 -5.952 5.427 1.00 0.00 H new ATOM 0 HD13 ILE A 50 0.878 -4.813 4.354 1.00 0.00 H new ATOM 781 N ALA A 51 2.721 -9.426 1.821 1.00 0.00 N ATOM 782 CA ALA A 51 3.551 -9.868 0.708 1.00 0.00 C ATOM 783 C ALA A 51 3.214 -11.300 0.307 1.00 0.00 C ATOM 784 O ALA A 51 3.512 -11.730 -0.808 1.00 0.00 O ATOM 785 CB ALA A 51 5.024 -9.751 1.069 1.00 0.00 C ATOM 0 H ALA A 51 3.236 -9.229 2.679 1.00 0.00 H new ATOM 0 HA ALA A 51 3.346 -9.222 -0.145 1.00 0.00 H new ATOM 0 HB1 ALA A 51 5.632 -10.085 0.228 1.00 0.00 H new ATOM 0 HB2 ALA A 51 5.261 -8.712 1.299 1.00 0.00 H new ATOM 0 HB3 ALA A 51 5.236 -10.372 1.939 1.00 0.00 H new ATOM 791 N HIS A 52 2.592 -12.035 1.224 1.00 0.00 N ATOM 792 CA HIS A 52 2.214 -13.421 0.965 1.00 0.00 C ATOM 793 C HIS A 52 0.875 -13.492 0.238 1.00 0.00 C ATOM 794 O HIS A 52 0.661 -14.365 -0.602 1.00 0.00 O ATOM 795 CB HIS A 52 2.139 -14.204 2.276 1.00 0.00 C ATOM 796 CG HIS A 52 1.724 -15.632 2.098 1.00 0.00 C ATOM 797 ND1 HIS A 52 2.624 -16.671 1.999 1.00 0.00 N ATOM 798 CD2 HIS A 52 0.495 -16.191 2.002 1.00 0.00 C ATOM 799 CE1 HIS A 52 1.968 -17.807 1.848 1.00 0.00 C ATOM 800 NE2 HIS A 52 0.673 -17.543 1.848 1.00 0.00 N ATOM 0 H HIS A 52 2.339 -11.695 2.152 1.00 0.00 H new ATOM 0 HA HIS A 52 2.977 -13.867 0.327 1.00 0.00 H new ATOM 0 HB2 HIS A 52 3.114 -14.176 2.763 1.00 0.00 H new ATOM 0 HB3 HIS A 52 1.434 -13.710 2.945 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -0.450 -15.670 2.040 1.00 0.00 H new ATOM 0 HE1 HIS A 52 2.414 -18.785 1.742 1.00 0.00 H new ATOM 0 HE2 HIS A 52 -0.073 -18.232 1.750 1.00 0.00 H new ATOM 809 N GLU A 53 -0.023 -12.569 0.570 1.00 0.00 N ATOM 810 CA GLU A 53 -1.342 -12.530 -0.051 1.00 0.00 C ATOM 811 C GLU A 53 -1.274 -11.886 -1.432 1.00 0.00 C ATOM 812 O GLU A 53 -1.949 -12.320 -2.366 1.00 0.00 O ATOM 813 CB GLU A 53 -2.324 -11.761 0.835 1.00 0.00 C ATOM 814 CG GLU A 53 -2.270 -10.255 0.639 1.00 0.00 C ATOM 815 CD GLU A 53 -3.411 -9.535 1.331 1.00 0.00 C ATOM 816 OE1 GLU A 53 -4.498 -9.426 0.727 1.00 0.00 O ATOM 817 OE2 GLU A 53 -3.216 -9.082 2.479 1.00 0.00 O ATOM 0 H GLU A 53 0.139 -11.840 1.264 1.00 0.00 H new ATOM 0 HA GLU A 53 -1.693 -13.556 -0.165 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.336 -12.110 0.629 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -2.114 -11.991 1.880 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -1.322 -9.877 1.021 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -2.297 -10.030 -0.427 1.00 0.00 H new ATOM 824 N VAL A 54 -0.455 -10.846 -1.554 1.00 0.00 N ATOM 825 CA VAL A 54 -0.298 -10.141 -2.821 1.00 0.00 C ATOM 826 C VAL A 54 0.589 -10.926 -3.781 1.00 0.00 C ATOM 827 O VAL A 54 0.502 -10.764 -4.997 1.00 0.00 O ATOM 828 CB VAL A 54 0.305 -8.739 -2.612 1.00 0.00 C ATOM 829 CG1 VAL A 54 0.168 -7.905 -3.877 1.00 0.00 C ATOM 830 CG2 VAL A 54 -0.357 -8.046 -1.431 1.00 0.00 C ATOM 0 H VAL A 54 0.110 -10.473 -0.791 1.00 0.00 H new ATOM 0 HA VAL A 54 -1.294 -10.040 -3.252 1.00 0.00 H new ATOM 0 HB VAL A 54 1.367 -8.848 -2.391 1.00 0.00 H new ATOM 0 HG11 VAL A 54 0.599 -6.918 -3.711 1.00 0.00 H new ATOM 0 HG12 VAL A 54 0.693 -8.397 -4.696 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -0.887 -7.802 -4.132 1.00 0.00 H new ATOM 0 HG21 VAL A 54 0.081 -7.057 -1.297 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -1.426 -7.947 -1.620 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -0.201 -8.637 -0.528 1.00 0.00 H new ATOM 840 N GLY A 55 1.443 -11.780 -3.224 1.00 0.00 N ATOM 841 CA GLY A 55 2.334 -12.579 -4.045 1.00 0.00 C ATOM 842 C GLY A 55 3.509 -11.779 -4.572 1.00 0.00 C ATOM 843 O GLY A 55 3.902 -11.929 -5.730 1.00 0.00 O ATOM 0 H GLY A 55 1.533 -11.933 -2.220 1.00 0.00 H new ATOM 0 HA2 GLY A 55 2.705 -13.421 -3.460 1.00 0.00 H new ATOM 0 HA3 GLY A 55 1.776 -12.994 -4.884 1.00 0.00 H new ATOM 847 N LEU A 56 4.071 -10.926 -3.723 1.00 0.00 N ATOM 848 CA LEU A 56 5.208 -10.098 -4.110 1.00 0.00 C ATOM 849 C LEU A 56 6.358 -10.255 -3.121 1.00 0.00 C ATOM 850 O LEU A 56 6.149 -10.277 -1.908 1.00 0.00 O ATOM 851 CB LEU A 56 4.789 -8.629 -4.194 1.00 0.00 C ATOM 852 CG LEU A 56 5.600 -7.753 -5.150 1.00 0.00 C ATOM 853 CD1 LEU A 56 5.475 -8.263 -6.577 1.00 0.00 C ATOM 854 CD2 LEU A 56 5.148 -6.303 -5.058 1.00 0.00 C ATOM 0 H LEU A 56 3.758 -10.789 -2.762 1.00 0.00 H new ATOM 0 HA LEU A 56 5.550 -10.429 -5.091 1.00 0.00 H new ATOM 0 HB2 LEU A 56 3.742 -8.587 -4.495 1.00 0.00 H new ATOM 0 HB3 LEU A 56 4.851 -8.196 -3.195 1.00 0.00 H new ATOM 0 HG LEU A 56 6.649 -7.805 -4.858 1.00 0.00 H new ATOM 0 HD11 LEU A 56 6.059 -7.627 -7.243 1.00 0.00 H new ATOM 0 HD12 LEU A 56 5.848 -9.286 -6.632 1.00 0.00 H new ATOM 0 HD13 LEU A 56 4.428 -8.242 -6.880 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.736 -5.694 -5.745 1.00 0.00 H new ATOM 0 HD22 LEU A 56 4.093 -6.233 -5.323 1.00 0.00 H new ATOM 0 HD23 LEU A 56 5.291 -5.941 -4.040 1.00 0.00 H new ATOM 866 N LYS A 57 7.574 -10.361 -3.647 1.00 0.00 N ATOM 867 CA LYS A 57 8.759 -10.511 -2.811 1.00 0.00 C ATOM 868 C LYS A 57 8.623 -9.705 -1.523 1.00 0.00 C ATOM 869 O LYS A 57 8.573 -8.475 -1.551 1.00 0.00 O ATOM 870 CB LYS A 57 10.007 -10.065 -3.575 1.00 0.00 C ATOM 871 CG LYS A 57 10.340 -10.948 -4.765 1.00 0.00 C ATOM 872 CD LYS A 57 11.208 -12.128 -4.359 1.00 0.00 C ATOM 873 CE LYS A 57 11.838 -12.799 -5.569 1.00 0.00 C ATOM 874 NZ LYS A 57 13.090 -13.522 -5.213 1.00 0.00 N ATOM 0 H LYS A 57 7.764 -10.346 -4.649 1.00 0.00 H new ATOM 0 HA LYS A 57 8.857 -11.565 -2.550 1.00 0.00 H new ATOM 0 HB2 LYS A 57 9.864 -9.041 -3.922 1.00 0.00 H new ATOM 0 HB3 LYS A 57 10.856 -10.055 -2.892 1.00 0.00 H new ATOM 0 HG2 LYS A 57 9.418 -11.312 -5.218 1.00 0.00 H new ATOM 0 HG3 LYS A 57 10.857 -10.359 -5.523 1.00 0.00 H new ATOM 0 HD2 LYS A 57 11.991 -11.789 -3.681 1.00 0.00 H new ATOM 0 HD3 LYS A 57 10.605 -12.853 -3.812 1.00 0.00 H new ATOM 0 HE2 LYS A 57 11.127 -13.499 -6.008 1.00 0.00 H new ATOM 0 HE3 LYS A 57 12.056 -12.048 -6.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 13.489 -13.966 -6.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 13.779 -12.850 -4.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 12.878 -14.256 -4.507 1.00 0.00 H new ATOM 888 N LYS A 58 8.564 -10.405 -0.395 1.00 0.00 N ATOM 889 CA LYS A 58 8.437 -9.755 0.904 1.00 0.00 C ATOM 890 C LYS A 58 9.306 -8.504 0.973 1.00 0.00 C ATOM 891 O LYS A 58 8.835 -7.430 1.347 1.00 0.00 O ATOM 892 CB LYS A 58 8.828 -10.724 2.022 1.00 0.00 C ATOM 893 CG LYS A 58 8.130 -10.443 3.341 1.00 0.00 C ATOM 894 CD LYS A 58 8.897 -9.428 4.173 1.00 0.00 C ATOM 895 CE LYS A 58 9.910 -10.105 5.084 1.00 0.00 C ATOM 896 NZ LYS A 58 11.222 -10.300 4.408 1.00 0.00 N ATOM 0 H LYS A 58 8.602 -11.423 -0.354 1.00 0.00 H new ATOM 0 HA LYS A 58 7.396 -9.460 1.035 1.00 0.00 H new ATOM 0 HB2 LYS A 58 8.596 -11.741 1.707 1.00 0.00 H new ATOM 0 HB3 LYS A 58 9.906 -10.675 2.173 1.00 0.00 H new ATOM 0 HG2 LYS A 58 7.123 -10.071 3.149 1.00 0.00 H new ATOM 0 HG3 LYS A 58 8.025 -11.371 3.903 1.00 0.00 H new ATOM 0 HD2 LYS A 58 9.410 -8.728 3.513 1.00 0.00 H new ATOM 0 HD3 LYS A 58 8.198 -8.846 4.774 1.00 0.00 H new ATOM 0 HE2 LYS A 58 10.050 -9.503 5.982 1.00 0.00 H new ATOM 0 HE3 LYS A 58 9.520 -11.071 5.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 11.972 -10.388 5.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.190 -11.165 3.832 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 11.422 -9.483 3.796 1.00 0.00 H new ATOM 910 N ARG A 59 10.576 -8.650 0.610 1.00 0.00 N ATOM 911 CA ARG A 59 11.511 -7.531 0.631 1.00 0.00 C ATOM 912 C ARG A 59 10.956 -6.344 -0.150 1.00 0.00 C ATOM 913 O ARG A 59 10.890 -5.226 0.362 1.00 0.00 O ATOM 914 CB ARG A 59 12.860 -7.954 0.047 1.00 0.00 C ATOM 915 CG ARG A 59 13.957 -6.920 0.236 1.00 0.00 C ATOM 916 CD ARG A 59 14.370 -6.808 1.695 1.00 0.00 C ATOM 917 NE ARG A 59 15.062 -8.006 2.162 1.00 0.00 N ATOM 918 CZ ARG A 59 15.547 -8.143 3.391 1.00 0.00 C ATOM 919 NH1 ARG A 59 15.416 -7.161 4.272 1.00 0.00 N ATOM 920 NH2 ARG A 59 16.164 -9.264 3.741 1.00 0.00 N ATOM 0 H ARG A 59 10.981 -9.532 0.298 1.00 0.00 H new ATOM 0 HA ARG A 59 11.652 -7.227 1.668 1.00 0.00 H new ATOM 0 HB2 ARG A 59 13.170 -8.890 0.512 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.739 -8.152 -1.018 1.00 0.00 H new ATOM 0 HG2 ARG A 59 14.822 -7.191 -0.369 1.00 0.00 H new ATOM 0 HG3 ARG A 59 13.610 -5.950 -0.121 1.00 0.00 H new ATOM 0 HD2 ARG A 59 15.019 -5.942 1.822 1.00 0.00 H new ATOM 0 HD3 ARG A 59 13.486 -6.637 2.310 1.00 0.00 H new ATOM 0 HE ARG A 59 15.179 -8.780 1.508 1.00 0.00 H new ATOM 0 HH11 ARG A 59 14.942 -6.298 4.007 1.00 0.00 H new ATOM 0 HH12 ARG A 59 15.789 -7.269 5.215 1.00 0.00 H new ATOM 0 HH21 ARG A 59 16.266 -10.022 3.066 1.00 0.00 H new ATOM 0 HH22 ARG A 59 16.536 -9.368 4.685 1.00 0.00 H new ATOM 934 N VAL A 60 10.557 -6.595 -1.393 1.00 0.00 N ATOM 935 CA VAL A 60 10.007 -5.547 -2.245 1.00 0.00 C ATOM 936 C VAL A 60 8.804 -4.880 -1.589 1.00 0.00 C ATOM 937 O VAL A 60 8.610 -3.670 -1.707 1.00 0.00 O ATOM 938 CB VAL A 60 9.586 -6.104 -3.618 1.00 0.00 C ATOM 939 CG1 VAL A 60 8.860 -5.040 -4.427 1.00 0.00 C ATOM 940 CG2 VAL A 60 10.798 -6.626 -4.376 1.00 0.00 C ATOM 0 H VAL A 60 10.604 -7.514 -1.832 1.00 0.00 H new ATOM 0 HA VAL A 60 10.796 -4.808 -2.387 1.00 0.00 H new ATOM 0 HB VAL A 60 8.900 -6.936 -3.458 1.00 0.00 H new ATOM 0 HG11 VAL A 60 8.571 -5.452 -5.394 1.00 0.00 H new ATOM 0 HG12 VAL A 60 7.969 -4.718 -3.888 1.00 0.00 H new ATOM 0 HG13 VAL A 60 9.520 -4.186 -4.580 1.00 0.00 H new ATOM 0 HG21 VAL A 60 10.482 -7.016 -5.344 1.00 0.00 H new ATOM 0 HG22 VAL A 60 11.510 -5.815 -4.527 1.00 0.00 H new ATOM 0 HG23 VAL A 60 11.271 -7.422 -3.801 1.00 0.00 H new ATOM 950 N VAL A 61 7.997 -5.678 -0.896 1.00 0.00 N ATOM 951 CA VAL A 61 6.813 -5.165 -0.218 1.00 0.00 C ATOM 952 C VAL A 61 7.188 -4.422 1.060 1.00 0.00 C ATOM 953 O VAL A 61 6.511 -3.477 1.461 1.00 0.00 O ATOM 954 CB VAL A 61 5.830 -6.299 0.130 1.00 0.00 C ATOM 955 CG1 VAL A 61 4.647 -5.757 0.918 1.00 0.00 C ATOM 956 CG2 VAL A 61 5.362 -7.004 -1.133 1.00 0.00 C ATOM 0 H VAL A 61 8.142 -6.682 -0.790 1.00 0.00 H new ATOM 0 HA VAL A 61 6.329 -4.473 -0.907 1.00 0.00 H new ATOM 0 HB VAL A 61 6.348 -7.027 0.754 1.00 0.00 H new ATOM 0 HG11 VAL A 61 3.963 -6.572 1.155 1.00 0.00 H new ATOM 0 HG12 VAL A 61 5.003 -5.302 1.842 1.00 0.00 H new ATOM 0 HG13 VAL A 61 4.126 -5.008 0.322 1.00 0.00 H new ATOM 0 HG21 VAL A 61 4.668 -7.802 -0.868 1.00 0.00 H new ATOM 0 HG22 VAL A 61 4.860 -6.288 -1.785 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.221 -7.428 -1.653 1.00 0.00 H new ATOM 966 N GLN A 62 8.273 -4.857 1.693 1.00 0.00 N ATOM 967 CA GLN A 62 8.739 -4.233 2.926 1.00 0.00 C ATOM 968 C GLN A 62 9.344 -2.861 2.646 1.00 0.00 C ATOM 969 O GLN A 62 9.005 -1.876 3.303 1.00 0.00 O ATOM 970 CB GLN A 62 9.770 -5.127 3.617 1.00 0.00 C ATOM 971 CG GLN A 62 10.759 -4.360 4.479 1.00 0.00 C ATOM 972 CD GLN A 62 11.853 -5.247 5.041 1.00 0.00 C ATOM 973 OE1 GLN A 62 13.031 -4.892 5.015 1.00 0.00 O ATOM 974 NE2 GLN A 62 11.467 -6.409 5.555 1.00 0.00 N ATOM 0 H GLN A 62 8.845 -5.638 1.373 1.00 0.00 H new ATOM 0 HA GLN A 62 7.881 -4.104 3.586 1.00 0.00 H new ATOM 0 HB2 GLN A 62 9.249 -5.856 4.238 1.00 0.00 H new ATOM 0 HB3 GLN A 62 10.319 -5.687 2.860 1.00 0.00 H new ATOM 0 HG2 GLN A 62 11.210 -3.564 3.887 1.00 0.00 H new ATOM 0 HG3 GLN A 62 10.225 -3.883 5.301 1.00 0.00 H new ATOM 0 HE21 GLN A 62 10.479 -6.663 5.556 1.00 0.00 H new ATOM 0 HE22 GLN A 62 12.158 -7.047 5.949 1.00 0.00 H new ATOM 983 N VAL A 63 10.242 -2.804 1.668 1.00 0.00 N ATOM 984 CA VAL A 63 10.894 -1.552 1.301 1.00 0.00 C ATOM 985 C VAL A 63 9.903 -0.580 0.672 1.00 0.00 C ATOM 986 O VAL A 63 9.907 0.612 0.981 1.00 0.00 O ATOM 987 CB VAL A 63 12.055 -1.792 0.318 1.00 0.00 C ATOM 988 CG1 VAL A 63 12.688 -0.471 -0.093 1.00 0.00 C ATOM 989 CG2 VAL A 63 13.092 -2.719 0.934 1.00 0.00 C ATOM 0 H VAL A 63 10.535 -3.610 1.115 1.00 0.00 H new ATOM 0 HA VAL A 63 11.289 -1.119 2.220 1.00 0.00 H new ATOM 0 HB VAL A 63 11.657 -2.272 -0.576 1.00 0.00 H new ATOM 0 HG11 VAL A 63 13.506 -0.660 -0.788 1.00 0.00 H new ATOM 0 HG12 VAL A 63 11.939 0.156 -0.577 1.00 0.00 H new ATOM 0 HG13 VAL A 63 13.073 0.039 0.790 1.00 0.00 H new ATOM 0 HG21 VAL A 63 13.905 -2.877 0.225 1.00 0.00 H new ATOM 0 HG22 VAL A 63 13.487 -2.269 1.845 1.00 0.00 H new ATOM 0 HG23 VAL A 63 12.628 -3.676 1.174 1.00 0.00 H new ATOM 999 N TRP A 64 9.055 -1.096 -0.210 1.00 0.00 N ATOM 1000 CA TRP A 64 8.056 -0.272 -0.882 1.00 0.00 C ATOM 1001 C TRP A 64 7.298 0.591 0.120 1.00 0.00 C ATOM 1002 O TRP A 64 6.809 1.668 -0.220 1.00 0.00 O ATOM 1003 CB TRP A 64 7.077 -1.154 -1.658 1.00 0.00 C ATOM 1004 CG TRP A 64 6.093 -0.373 -2.475 1.00 0.00 C ATOM 1005 CD1 TRP A 64 6.197 -0.053 -3.799 1.00 0.00 C ATOM 1006 CD2 TRP A 64 4.857 0.189 -2.021 1.00 0.00 C ATOM 1007 NE1 TRP A 64 5.100 0.673 -4.195 1.00 0.00 N ATOM 1008 CE2 TRP A 64 4.262 0.835 -3.122 1.00 0.00 C ATOM 1009 CE3 TRP A 64 4.193 0.208 -0.791 1.00 0.00 C ATOM 1010 CZ2 TRP A 64 3.039 1.491 -3.029 1.00 0.00 C ATOM 1011 CZ3 TRP A 64 2.978 0.860 -0.699 1.00 0.00 C ATOM 1012 CH2 TRP A 64 2.411 1.494 -1.813 1.00 0.00 C ATOM 0 H TRP A 64 9.039 -2.080 -0.477 1.00 0.00 H new ATOM 0 HA TRP A 64 8.574 0.386 -1.580 1.00 0.00 H new ATOM 0 HB2 TRP A 64 7.639 -1.817 -2.316 1.00 0.00 H new ATOM 0 HB3 TRP A 64 6.534 -1.787 -0.956 1.00 0.00 H new ATOM 0 HD1 TRP A 64 7.021 -0.330 -4.440 1.00 0.00 H new ATOM 0 HE1 TRP A 64 4.936 1.033 -5.135 1.00 0.00 H new ATOM 0 HE3 TRP A 64 4.622 -0.278 0.072 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 2.601 1.981 -3.886 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 2.457 0.881 0.247 1.00 0.00 H new ATOM 0 HH2 TRP A 64 1.460 1.995 -1.710 1.00 0.00 H new ATOM 1023 N PHE A 65 7.205 0.111 1.356 1.00 0.00 N ATOM 1024 CA PHE A 65 6.505 0.840 2.407 1.00 0.00 C ATOM 1025 C PHE A 65 7.406 1.906 3.023 1.00 0.00 C ATOM 1026 O PHE A 65 7.012 3.065 3.156 1.00 0.00 O ATOM 1027 CB PHE A 65 6.024 -0.125 3.493 1.00 0.00 C ATOM 1028 CG PHE A 65 4.656 -0.688 3.231 1.00 0.00 C ATOM 1029 CD1 PHE A 65 4.411 -1.453 2.102 1.00 0.00 C ATOM 1030 CD2 PHE A 65 3.615 -0.452 4.114 1.00 0.00 C ATOM 1031 CE1 PHE A 65 3.153 -1.971 1.858 1.00 0.00 C ATOM 1032 CE2 PHE A 65 2.355 -0.968 3.876 1.00 0.00 C ATOM 1033 CZ PHE A 65 2.124 -1.729 2.747 1.00 0.00 C ATOM 0 H PHE A 65 7.605 -0.779 1.654 1.00 0.00 H new ATOM 0 HA PHE A 65 5.642 1.333 1.959 1.00 0.00 H new ATOM 0 HB2 PHE A 65 6.736 -0.946 3.580 1.00 0.00 H new ATOM 0 HB3 PHE A 65 6.017 0.394 4.452 1.00 0.00 H new ATOM 0 HD1 PHE A 65 5.212 -1.647 1.404 1.00 0.00 H new ATOM 0 HD2 PHE A 65 3.790 0.142 4.999 1.00 0.00 H new ATOM 0 HE1 PHE A 65 2.975 -2.564 0.973 1.00 0.00 H new ATOM 0 HE2 PHE A 65 1.552 -0.776 4.572 1.00 0.00 H new ATOM 0 HZ PHE A 65 1.141 -2.134 2.560 1.00 0.00 H new ATOM 1043 N GLN A 66 8.617 1.505 3.396 1.00 0.00 N ATOM 1044 CA GLN A 66 9.574 2.426 3.999 1.00 0.00 C ATOM 1045 C GLN A 66 9.905 3.569 3.045 1.00 0.00 C ATOM 1046 O GLN A 66 10.186 4.687 3.474 1.00 0.00 O ATOM 1047 CB GLN A 66 10.854 1.683 4.386 1.00 0.00 C ATOM 1048 CG GLN A 66 11.867 1.587 3.258 1.00 0.00 C ATOM 1049 CD GLN A 66 13.202 1.034 3.717 1.00 0.00 C ATOM 1050 OE1 GLN A 66 14.244 1.665 3.536 1.00 0.00 O ATOM 1051 NE2 GLN A 66 13.178 -0.151 4.315 1.00 0.00 N ATOM 0 H GLN A 66 8.959 0.550 3.292 1.00 0.00 H new ATOM 0 HA GLN A 66 9.120 2.846 4.897 1.00 0.00 H new ATOM 0 HB2 GLN A 66 11.315 2.188 5.235 1.00 0.00 H new ATOM 0 HB3 GLN A 66 10.594 0.677 4.716 1.00 0.00 H new ATOM 0 HG2 GLN A 66 11.467 0.951 2.469 1.00 0.00 H new ATOM 0 HG3 GLN A 66 12.017 2.576 2.825 1.00 0.00 H new ATOM 0 HE21 GLN A 66 12.292 -0.639 4.444 1.00 0.00 H new ATOM 0 HE22 GLN A 66 14.046 -0.573 4.645 1.00 0.00 H new ATOM 1060 N ASN A 67 9.869 3.280 1.748 1.00 0.00 N ATOM 1061 CA ASN A 67 10.166 4.284 0.733 1.00 0.00 C ATOM 1062 C ASN A 67 9.014 5.274 0.594 1.00 0.00 C ATOM 1063 O ASN A 67 9.224 6.487 0.553 1.00 0.00 O ATOM 1064 CB ASN A 67 10.441 3.612 -0.614 1.00 0.00 C ATOM 1065 CG ASN A 67 11.859 3.085 -0.719 1.00 0.00 C ATOM 1066 OD1 ASN A 67 12.763 3.564 -0.034 1.00 0.00 O ATOM 1067 ND2 ASN A 67 12.060 2.094 -1.580 1.00 0.00 N ATOM 0 H ASN A 67 9.637 2.359 1.375 1.00 0.00 H new ATOM 0 HA ASN A 67 11.055 4.830 1.047 1.00 0.00 H new ATOM 0 HB2 ASN A 67 9.739 2.790 -0.757 1.00 0.00 H new ATOM 0 HB3 ASN A 67 10.262 4.327 -1.417 1.00 0.00 H new ATOM 0 HD21 ASN A 67 12.993 1.699 -1.694 1.00 0.00 H new ATOM 0 HD22 ASN A 67 11.281 1.728 -2.127 1.00 0.00 H new ATOM 1074 N THR A 68 7.795 4.749 0.522 1.00 0.00 N ATOM 1075 CA THR A 68 6.609 5.586 0.388 1.00 0.00 C ATOM 1076 C THR A 68 6.499 6.574 1.543 1.00 0.00 C ATOM 1077 O THR A 68 6.217 7.755 1.338 1.00 0.00 O ATOM 1078 CB THR A 68 5.325 4.736 0.330 1.00 0.00 C ATOM 1079 OG1 THR A 68 5.380 3.841 -0.786 1.00 0.00 O ATOM 1080 CG2 THR A 68 4.094 5.623 0.216 1.00 0.00 C ATOM 0 H THR A 68 7.603 3.748 0.554 1.00 0.00 H new ATOM 0 HA THR A 68 6.715 6.136 -0.547 1.00 0.00 H new ATOM 0 HB THR A 68 5.254 4.160 1.253 1.00 0.00 H new ATOM 0 HG1 THR A 68 6.049 3.145 -0.615 1.00 0.00 H new ATOM 0 HG21 THR A 68 3.200 5.001 0.177 1.00 0.00 H new ATOM 0 HG22 THR A 68 4.039 6.283 1.082 1.00 0.00 H new ATOM 0 HG23 THR A 68 4.160 6.222 -0.692 1.00 0.00 H new ATOM 1088 N ARG A 69 6.725 6.085 2.758 1.00 0.00 N ATOM 1089 CA ARG A 69 6.650 6.926 3.946 1.00 0.00 C ATOM 1090 C ARG A 69 7.572 8.134 3.816 1.00 0.00 C ATOM 1091 O ARG A 69 7.134 9.278 3.938 1.00 0.00 O ATOM 1092 CB ARG A 69 7.023 6.119 5.192 1.00 0.00 C ATOM 1093 CG ARG A 69 5.839 5.423 5.843 1.00 0.00 C ATOM 1094 CD ARG A 69 6.092 5.157 7.319 1.00 0.00 C ATOM 1095 NE ARG A 69 7.133 4.153 7.524 1.00 0.00 N ATOM 1096 CZ ARG A 69 7.858 4.061 8.633 1.00 0.00 C ATOM 1097 NH1 ARG A 69 7.656 4.909 9.633 1.00 0.00 N ATOM 1098 NH2 ARG A 69 8.787 3.120 8.744 1.00 0.00 N ATOM 0 H ARG A 69 6.962 5.111 2.945 1.00 0.00 H new ATOM 0 HA ARG A 69 5.624 7.282 4.044 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.769 5.372 4.921 1.00 0.00 H new ATOM 0 HB3 ARG A 69 7.488 6.784 5.920 1.00 0.00 H new ATOM 0 HG2 ARG A 69 4.947 6.039 5.731 1.00 0.00 H new ATOM 0 HG3 ARG A 69 5.643 4.481 5.331 1.00 0.00 H new ATOM 0 HD2 ARG A 69 6.382 6.086 7.810 1.00 0.00 H new ATOM 0 HD3 ARG A 69 5.168 4.823 7.791 1.00 0.00 H new ATOM 0 HE ARG A 69 7.313 3.486 6.774 1.00 0.00 H new ATOM 0 HH11 ARG A 69 6.943 5.634 9.551 1.00 0.00 H new ATOM 0 HH12 ARG A 69 8.214 4.836 10.484 1.00 0.00 H new ATOM 0 HH21 ARG A 69 8.945 2.466 7.977 1.00 0.00 H new ATOM 0 HH22 ARG A 69 9.343 3.050 9.596 1.00 0.00 H new