USER MOD reduce.3.24.130724 H: found=0, std=0, add=251, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 252 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 41 ASN : amide:sc= -4.5 K(o=-12,f=-5.4!) USER MOD Set 1.2: A 44 GLN : amide:sc= -7.04! C(o=-12!,f=-5.4!) USER MOD Single : A 23 ASN : amide:sc= -0.13 X(o=-0.13,f=0) USER MOD Single : A 25 TYR OH : rot -30:sc= 0.783 USER MOD Single : A 27 THR OG1 : rot -97:sc= 0.0226 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= -1.44 K(o=-1.4,f=0) USER MOD Single : A 35 SER OG : rot 112:sc= 0.191 USER MOD Single : A 36 SER OG : rot -29:sc= 0.728 USER MOD Single : A 46 LYS NZ :NH3+ 142:sc= -1.19 (180deg=-3.27!) USER MOD Single : A 50 GLN : amide:sc=-1.6e-05 X(o=-1.6e-05,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 392 N ASN A 23 5.010 1.618 -4.626 1.00 0.00 N ATOM 393 CA ASN A 23 3.583 1.863 -4.459 1.00 0.00 C ATOM 394 C ASN A 23 3.309 2.345 -3.040 1.00 0.00 C ATOM 395 O ASN A 23 2.267 2.050 -2.455 1.00 0.00 O ATOM 396 CB ASN A 23 2.787 0.587 -4.745 1.00 0.00 C ATOM 397 CG ASN A 23 2.569 0.353 -6.230 1.00 0.00 C ATOM 398 OD1 ASN A 23 1.610 -0.309 -6.628 1.00 0.00 O ATOM 399 ND2 ASN A 23 3.456 0.894 -7.060 1.00 0.00 N ATOM 0 HA ASN A 23 3.270 2.632 -5.166 1.00 0.00 H new ATOM 0 HB2 ASN A 23 3.313 -0.268 -4.320 1.00 0.00 H new ATOM 0 HB3 ASN A 23 1.820 0.647 -4.245 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.356 0.767 -8.067 1.00 0.00 H new ATOM 0 HD22 ASN A 23 4.237 1.436 -6.690 1.00 0.00 H new ATOM 406 N ARG A 24 4.279 3.064 -2.492 1.00 0.00 N ATOM 407 CA ARG A 24 4.195 3.577 -1.132 1.00 0.00 C ATOM 408 C ARG A 24 4.373 5.094 -1.095 1.00 0.00 C ATOM 409 O ARG A 24 3.682 5.799 -0.360 1.00 0.00 O ATOM 410 CB ARG A 24 5.286 2.899 -0.294 1.00 0.00 C ATOM 411 CG ARG A 24 6.107 3.851 0.564 1.00 0.00 C ATOM 412 CD ARG A 24 6.939 3.100 1.591 1.00 0.00 C ATOM 413 NE ARG A 24 7.136 3.879 2.811 1.00 0.00 N ATOM 414 CZ ARG A 24 6.220 4.001 3.770 1.00 0.00 C ATOM 415 NH1 ARG A 24 5.044 3.398 3.654 1.00 0.00 N ATOM 416 NH2 ARG A 24 6.482 4.728 4.847 1.00 0.00 N ATOM 0 H ARG A 24 5.143 3.307 -2.976 1.00 0.00 H new ATOM 0 HA ARG A 24 3.208 3.356 -0.727 1.00 0.00 H new ATOM 0 HB2 ARG A 24 4.820 2.157 0.354 1.00 0.00 H new ATOM 0 HB3 ARG A 24 5.958 2.361 -0.963 1.00 0.00 H new ATOM 0 HG2 ARG A 24 6.763 4.443 -0.074 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.442 4.549 1.073 1.00 0.00 H new ATOM 0 HD2 ARG A 24 6.448 2.159 1.837 1.00 0.00 H new ATOM 0 HD3 ARG A 24 7.908 2.850 1.160 1.00 0.00 H new ATOM 0 HE ARG A 24 8.028 4.358 2.936 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.838 2.837 2.827 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.346 3.495 4.392 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.385 5.194 4.941 1.00 0.00 H new ATOM 0 HH22 ARG A 24 5.781 4.822 5.582 1.00 0.00 H new ATOM 430 N TYR A 25 5.326 5.572 -1.878 1.00 0.00 N ATOM 431 CA TYR A 25 5.644 6.997 -1.939 1.00 0.00 C ATOM 432 C TYR A 25 4.798 7.710 -2.996 1.00 0.00 C ATOM 433 O TYR A 25 4.405 8.860 -2.816 1.00 0.00 O ATOM 434 CB TYR A 25 7.120 7.174 -2.278 1.00 0.00 C ATOM 435 CG TYR A 25 7.371 6.953 -3.742 1.00 0.00 C ATOM 436 CD1 TYR A 25 7.233 5.690 -4.291 1.00 0.00 C ATOM 437 CD2 TYR A 25 7.682 8.010 -4.579 1.00 0.00 C ATOM 438 CE1 TYR A 25 7.408 5.481 -5.637 1.00 0.00 C ATOM 439 CE2 TYR A 25 7.854 7.816 -5.931 1.00 0.00 C ATOM 440 CZ TYR A 25 7.716 6.546 -6.460 1.00 0.00 C ATOM 441 OH TYR A 25 7.887 6.339 -7.811 1.00 0.00 O ATOM 0 H TYR A 25 5.901 4.990 -2.488 1.00 0.00 H new ATOM 0 HA TYR A 25 5.423 7.436 -0.966 1.00 0.00 H new ATOM 0 HB2 TYR A 25 7.442 8.177 -1.998 1.00 0.00 H new ATOM 0 HB3 TYR A 25 7.717 6.473 -1.694 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.984 4.856 -3.651 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.791 9.002 -4.166 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.305 4.488 -6.050 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.095 8.650 -6.574 1.00 0.00 H new ATOM 0 HH TYR A 25 8.230 5.434 -7.962 1.00 0.00 H new ATOM 451 N LEU A 26 4.526 7.015 -4.104 1.00 0.00 N ATOM 452 CA LEU A 26 3.729 7.574 -5.199 1.00 0.00 C ATOM 453 C LEU A 26 2.379 8.089 -4.699 1.00 0.00 C ATOM 454 O LEU A 26 1.636 8.741 -5.431 1.00 0.00 O ATOM 455 CB LEU A 26 3.514 6.514 -6.285 1.00 0.00 C ATOM 456 CG LEU A 26 2.493 5.424 -5.946 1.00 0.00 C ATOM 457 CD1 LEU A 26 2.500 4.337 -7.008 1.00 0.00 C ATOM 458 CD2 LEU A 26 2.783 4.832 -4.575 1.00 0.00 C ATOM 0 H LEU A 26 4.848 6.061 -4.266 1.00 0.00 H new ATOM 0 HA LEU A 26 4.278 8.417 -5.618 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.196 7.015 -7.199 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.471 6.038 -6.499 1.00 0.00 H new ATOM 0 HG LEU A 26 1.501 5.876 -5.924 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.768 3.571 -6.750 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.245 4.771 -7.975 1.00 0.00 H new ATOM 0 HD13 LEU A 26 3.492 3.888 -7.062 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.048 4.059 -4.350 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.782 4.395 -4.571 1.00 0.00 H new ATOM 0 HD23 LEU A 26 2.727 5.617 -3.821 1.00 0.00 H new ATOM 470 N THR A 27 2.079 7.786 -3.446 1.00 0.00 N ATOM 471 CA THR A 27 0.842 8.194 -2.809 1.00 0.00 C ATOM 472 C THR A 27 1.012 9.577 -2.178 1.00 0.00 C ATOM 473 O THR A 27 0.038 10.284 -1.921 1.00 0.00 O ATOM 474 CB THR A 27 0.454 7.145 -1.761 1.00 0.00 C ATOM 475 OG1 THR A 27 0.902 7.524 -0.470 1.00 0.00 O ATOM 476 CG2 THR A 27 1.030 5.770 -2.065 1.00 0.00 C ATOM 0 H THR A 27 2.695 7.245 -2.839 1.00 0.00 H new ATOM 0 HA THR A 27 0.043 8.263 -3.547 1.00 0.00 H new ATOM 0 HB THR A 27 -0.634 7.090 -1.792 1.00 0.00 H new ATOM 0 HG1 THR A 27 1.752 7.078 -0.275 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.723 5.067 -1.290 1.00 0.00 H new ATOM 0 HG22 THR A 27 0.662 5.427 -3.032 1.00 0.00 H new ATOM 0 HG23 THR A 27 2.118 5.829 -2.091 1.00 0.00 H new ATOM 484 N GLU A 28 2.270 9.956 -1.959 1.00 0.00 N ATOM 485 CA GLU A 28 2.611 11.254 -1.393 1.00 0.00 C ATOM 486 C GLU A 28 3.725 11.908 -2.217 1.00 0.00 C ATOM 487 O GLU A 28 4.324 12.898 -1.798 1.00 0.00 O ATOM 488 CB GLU A 28 3.053 11.102 0.064 1.00 0.00 C ATOM 489 CG GLU A 28 3.022 12.406 0.847 1.00 0.00 C ATOM 490 CD GLU A 28 2.219 12.297 2.129 1.00 0.00 C ATOM 491 OE1 GLU A 28 1.137 11.673 2.100 1.00 0.00 O ATOM 492 OE2 GLU A 28 2.672 12.835 3.160 1.00 0.00 O ATOM 0 H GLU A 28 3.078 9.371 -2.170 1.00 0.00 H new ATOM 0 HA GLU A 28 1.727 11.891 -1.422 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.407 10.376 0.557 1.00 0.00 H new ATOM 0 HB3 GLU A 28 4.065 10.697 0.088 1.00 0.00 H new ATOM 0 HG2 GLU A 28 4.042 12.706 1.086 1.00 0.00 H new ATOM 0 HG3 GLU A 28 2.597 13.191 0.222 1.00 0.00 H new ATOM 499 N ARG A 29 3.989 11.338 -3.395 1.00 0.00 N ATOM 500 CA ARG A 29 5.021 11.843 -4.296 1.00 0.00 C ATOM 501 C ARG A 29 4.456 12.003 -5.703 1.00 0.00 C ATOM 502 O ARG A 29 4.684 13.014 -6.367 1.00 0.00 O ATOM 503 CB ARG A 29 6.221 10.895 -4.316 1.00 0.00 C ATOM 504 CG ARG A 29 7.538 11.577 -3.983 1.00 0.00 C ATOM 505 CD ARG A 29 8.174 12.192 -5.219 1.00 0.00 C ATOM 506 NE ARG A 29 9.252 13.116 -4.875 1.00 0.00 N ATOM 507 CZ ARG A 29 10.189 13.514 -5.734 1.00 0.00 C ATOM 508 NH1 ARG A 29 10.184 13.072 -6.986 1.00 0.00 N ATOM 509 NH2 ARG A 29 11.135 14.357 -5.340 1.00 0.00 N ATOM 0 H ARG A 29 3.495 10.518 -3.747 1.00 0.00 H new ATOM 0 HA ARG A 29 5.352 12.817 -3.935 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.048 10.088 -3.604 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.297 10.438 -5.303 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.369 12.352 -3.235 1.00 0.00 H new ATOM 0 HG3 ARG A 29 8.223 10.853 -3.542 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.565 11.400 -5.858 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.413 12.720 -5.794 1.00 0.00 H new ATOM 0 HE ARG A 29 9.289 13.477 -3.922 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.460 12.424 -7.295 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.904 13.381 -7.639 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.145 14.700 -4.379 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.853 14.662 -5.998 1.00 0.00 H new ATOM 523 N ARG A 30 3.709 10.995 -6.145 1.00 0.00 N ATOM 524 CA ARG A 30 3.095 11.014 -7.468 1.00 0.00 C ATOM 525 C ARG A 30 1.575 11.141 -7.362 1.00 0.00 C ATOM 526 O ARG A 30 0.883 11.244 -8.375 1.00 0.00 O ATOM 527 CB ARG A 30 3.456 9.745 -8.240 1.00 0.00 C ATOM 528 CG ARG A 30 4.951 9.557 -8.444 1.00 0.00 C ATOM 529 CD ARG A 30 5.339 8.087 -8.395 1.00 0.00 C ATOM 530 NE ARG A 30 4.448 7.256 -9.204 1.00 0.00 N ATOM 531 CZ ARG A 30 4.678 5.975 -9.481 1.00 0.00 C ATOM 532 NH1 ARG A 30 5.767 5.374 -9.023 1.00 0.00 N ATOM 533 NH2 ARG A 30 3.813 5.292 -10.220 1.00 0.00 N ATOM 0 H ARG A 30 3.514 10.153 -5.604 1.00 0.00 H new ATOM 0 HA ARG A 30 3.479 11.881 -8.005 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.060 8.881 -7.707 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.966 9.771 -9.213 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.244 9.980 -9.405 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.496 10.104 -7.675 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.363 7.971 -8.749 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.318 7.741 -7.362 1.00 0.00 H new ATOM 0 HE ARG A 30 3.601 7.683 -9.578 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.435 5.894 -8.454 1.00 0.00 H new ATOM 0 HH12 ARG A 30 5.937 4.392 -9.239 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.973 5.749 -10.575 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.988 4.310 -10.433 1.00 0.00 H new ATOM 547 N ARG A 31 1.060 11.138 -6.132 1.00 0.00 N ATOM 548 CA ARG A 31 -0.376 11.258 -5.904 1.00 0.00 C ATOM 549 C ARG A 31 -0.890 12.623 -6.351 1.00 0.00 C ATOM 550 O ARG A 31 -2.098 12.838 -6.453 1.00 0.00 O ATOM 551 CB ARG A 31 -0.700 11.038 -4.427 1.00 0.00 C ATOM 552 CG ARG A 31 -2.183 11.137 -4.106 1.00 0.00 C ATOM 553 CD ARG A 31 -2.486 12.336 -3.219 1.00 0.00 C ATOM 554 NE ARG A 31 -3.492 12.026 -2.207 1.00 0.00 N ATOM 555 CZ ARG A 31 -4.798 11.963 -2.455 1.00 0.00 C ATOM 556 NH1 ARG A 31 -5.261 12.190 -3.678 1.00 0.00 N ATOM 557 NH2 ARG A 31 -5.645 11.672 -1.476 1.00 0.00 N ATOM 0 H ARG A 31 1.617 11.054 -5.281 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.875 10.492 -6.497 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.337 10.055 -4.127 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.158 11.773 -3.832 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.752 11.216 -5.032 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.510 10.224 -3.608 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -1.570 12.666 -2.730 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.835 13.164 -3.836 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.175 11.847 -1.254 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.615 12.414 -4.435 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.263 12.140 -3.861 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.295 11.497 -0.534 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.646 11.624 -1.665 1.00 0.00 H new ATOM 571 N GLN A 32 0.032 13.537 -6.643 1.00 0.00 N ATOM 572 CA GLN A 32 -0.337 14.867 -7.107 1.00 0.00 C ATOM 573 C GLN A 32 -0.289 14.895 -8.627 1.00 0.00 C ATOM 574 O GLN A 32 -0.896 15.749 -9.272 1.00 0.00 O ATOM 575 CB GLN A 32 0.604 15.923 -6.526 1.00 0.00 C ATOM 576 CG GLN A 32 0.626 15.946 -5.006 1.00 0.00 C ATOM 577 CD GLN A 32 2.033 15.938 -4.442 1.00 0.00 C ATOM 578 OE1 GLN A 32 2.741 16.944 -4.492 1.00 0.00 O ATOM 579 NE2 GLN A 32 2.446 14.797 -3.901 1.00 0.00 N ATOM 0 H GLN A 32 1.037 13.379 -6.566 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.348 15.096 -6.769 1.00 0.00 H new ATOM 0 HB2 GLN A 32 1.614 15.740 -6.893 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.305 16.905 -6.892 1.00 0.00 H new ATOM 0 HG2 GLN A 32 0.102 16.834 -4.652 1.00 0.00 H new ATOM 0 HG3 GLN A 32 0.081 15.082 -4.626 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.825 13.988 -3.881 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.384 14.730 -3.505 1.00 0.00 H new ATOM 588 N GLN A 33 0.436 13.931 -9.183 1.00 0.00 N ATOM 589 CA GLN A 33 0.579 13.795 -10.616 1.00 0.00 C ATOM 590 C GLN A 33 -0.562 12.964 -11.175 1.00 0.00 C ATOM 591 O GLN A 33 -1.198 13.335 -12.161 1.00 0.00 O ATOM 592 CB GLN A 33 1.905 13.114 -10.935 1.00 0.00 C ATOM 593 CG GLN A 33 2.308 13.236 -12.387 1.00 0.00 C ATOM 594 CD GLN A 33 2.352 11.894 -13.100 1.00 0.00 C ATOM 595 OE1 GLN A 33 3.423 11.403 -13.454 1.00 0.00 O ATOM 596 NE2 GLN A 33 1.182 11.294 -13.316 1.00 0.00 N ATOM 0 H GLN A 33 0.939 13.224 -8.647 1.00 0.00 H new ATOM 0 HA GLN A 33 0.558 14.785 -11.071 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.687 13.547 -10.311 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.835 12.058 -10.672 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.606 13.892 -12.901 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.289 13.708 -12.449 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.317 11.737 -13.006 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.151 10.392 -13.792 1.00 0.00 H new ATOM 605 N LEU A 34 -0.813 11.834 -10.526 1.00 0.00 N ATOM 606 CA LEU A 34 -1.874 10.937 -10.936 1.00 0.00 C ATOM 607 C LEU A 34 -3.215 11.646 -10.842 1.00 0.00 C ATOM 608 O LEU A 34 -4.012 11.620 -11.779 1.00 0.00 O ATOM 609 CB LEU A 34 -1.863 9.691 -10.058 1.00 0.00 C ATOM 610 CG LEU A 34 -1.688 8.364 -10.802 1.00 0.00 C ATOM 611 CD1 LEU A 34 -1.428 7.238 -9.813 1.00 0.00 C ATOM 612 CD2 LEU A 34 -2.911 8.056 -11.661 1.00 0.00 C ATOM 0 H LEU A 34 -0.290 11.520 -9.709 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.714 10.635 -11.971 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.058 9.788 -9.329 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.797 9.654 -9.498 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.827 8.451 -11.465 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.305 6.300 -10.354 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.521 7.452 -9.248 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.271 7.154 -9.127 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.762 7.109 -12.179 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.794 7.987 -11.026 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -3.051 8.852 -12.393 1.00 0.00 H new ATOM 624 N SER A 35 -3.454 12.295 -9.706 1.00 0.00 N ATOM 625 CA SER A 35 -4.689 13.028 -9.492 1.00 0.00 C ATOM 626 C SER A 35 -4.972 13.970 -10.659 1.00 0.00 C ATOM 627 O SER A 35 -6.120 14.140 -11.068 1.00 0.00 O ATOM 628 CB SER A 35 -4.622 13.810 -8.180 1.00 0.00 C ATOM 629 OG SER A 35 -5.597 14.838 -8.144 1.00 0.00 O ATOM 0 H SER A 35 -2.804 12.326 -8.920 1.00 0.00 H new ATOM 0 HA SER A 35 -5.506 12.309 -9.430 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.775 13.131 -7.341 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.629 14.243 -8.063 1.00 0.00 H new ATOM 0 HG SER A 35 -6.277 14.621 -7.472 1.00 0.00 H new ATOM 635 N SER A 36 -3.914 14.565 -11.200 1.00 0.00 N ATOM 636 CA SER A 36 -4.046 15.473 -12.332 1.00 0.00 C ATOM 637 C SER A 36 -3.726 14.748 -13.639 1.00 0.00 C ATOM 638 O SER A 36 -3.635 15.367 -14.699 1.00 0.00 O ATOM 639 CB SER A 36 -3.119 16.677 -12.160 1.00 0.00 C ATOM 640 OG SER A 36 -3.286 17.606 -13.218 1.00 0.00 O ATOM 0 H SER A 36 -2.957 14.434 -10.873 1.00 0.00 H new ATOM 0 HA SER A 36 -5.077 15.826 -12.371 1.00 0.00 H new ATOM 0 HB2 SER A 36 -3.325 17.165 -11.208 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.083 16.340 -12.128 1.00 0.00 H new ATOM 0 HG SER A 36 -3.566 17.132 -14.029 1.00 0.00 H new ATOM 646 N GLU A 37 -3.550 13.430 -13.551 1.00 0.00 N ATOM 647 CA GLU A 37 -3.233 12.614 -14.713 1.00 0.00 C ATOM 648 C GLU A 37 -4.489 12.042 -15.355 1.00 0.00 C ATOM 649 O GLU A 37 -4.582 11.952 -16.580 1.00 0.00 O ATOM 650 CB GLU A 37 -2.276 11.486 -14.320 1.00 0.00 C ATOM 651 CG GLU A 37 -1.902 10.567 -15.473 1.00 0.00 C ATOM 652 CD GLU A 37 -1.610 9.150 -15.020 1.00 0.00 C ATOM 653 OE1 GLU A 37 -0.910 8.986 -13.998 1.00 0.00 O ATOM 654 OE2 GLU A 37 -2.083 8.205 -15.685 1.00 0.00 O ATOM 0 H GLU A 37 -3.623 12.906 -12.679 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.748 13.255 -15.449 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.367 11.922 -13.906 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.734 10.893 -13.529 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -2.715 10.552 -16.199 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -1.027 10.969 -15.983 1.00 0.00 H new ATOM 661 N LEU A 38 -5.449 11.645 -14.530 1.00 0.00 N ATOM 662 CA LEU A 38 -6.687 11.071 -15.035 1.00 0.00 C ATOM 663 C LEU A 38 -7.840 12.056 -14.858 1.00 0.00 C ATOM 664 O LEU A 38 -9.007 11.663 -14.862 1.00 0.00 O ATOM 665 CB LEU A 38 -7.035 9.751 -14.317 1.00 0.00 C ATOM 666 CG LEU A 38 -5.897 8.730 -14.061 1.00 0.00 C ATOM 667 CD1 LEU A 38 -4.519 9.344 -14.104 1.00 0.00 C ATOM 668 CD2 LEU A 38 -6.062 8.092 -12.709 1.00 0.00 C ATOM 0 H LEU A 38 -5.394 11.710 -13.514 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.539 10.861 -16.094 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.478 10.004 -13.353 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.807 9.249 -14.900 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.976 7.999 -14.865 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.771 8.573 -13.917 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.348 9.785 -15.086 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.442 10.118 -13.340 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -5.256 7.377 -12.543 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -6.030 8.861 -11.937 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -7.020 7.574 -12.665 1.00 0.00 H new ATOM 680 N GLY A 39 -7.511 13.338 -14.685 1.00 0.00 N ATOM 681 CA GLY A 39 -8.541 14.343 -14.491 1.00 0.00 C ATOM 682 C GLY A 39 -9.432 14.003 -13.315 1.00 0.00 C ATOM 683 O GLY A 39 -10.624 13.744 -13.483 1.00 0.00 O ATOM 0 H GLY A 39 -6.555 13.694 -14.676 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.076 15.315 -14.328 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.145 14.426 -15.395 1.00 0.00 H new ATOM 687 N LEU A 40 -8.843 13.974 -12.124 1.00 0.00 N ATOM 688 CA LEU A 40 -9.581 13.627 -10.915 1.00 0.00 C ATOM 689 C LEU A 40 -9.215 14.528 -9.748 1.00 0.00 C ATOM 690 O LEU A 40 -8.682 15.622 -9.930 1.00 0.00 O ATOM 691 CB LEU A 40 -9.308 12.175 -10.537 1.00 0.00 C ATOM 692 CG LEU A 40 -8.604 11.331 -11.596 1.00 0.00 C ATOM 693 CD1 LEU A 40 -7.087 11.451 -11.467 1.00 0.00 C ATOM 694 CD2 LEU A 40 -9.048 9.892 -11.453 1.00 0.00 C ATOM 0 H LEU A 40 -7.857 14.186 -11.970 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.641 13.766 -11.129 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -8.703 12.164 -9.630 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.258 11.699 -10.293 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.875 11.694 -12.587 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.607 10.841 -12.232 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -6.792 12.492 -11.596 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.777 11.106 -10.481 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.550 9.281 -12.206 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.787 9.528 -10.459 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.127 9.829 -11.591 1.00 0.00 H new ATOM 706 N ASN A 41 -9.510 14.050 -8.544 1.00 0.00 N ATOM 707 CA ASN A 41 -9.211 14.814 -7.336 1.00 0.00 C ATOM 708 C ASN A 41 -8.751 13.914 -6.188 1.00 0.00 C ATOM 709 O ASN A 41 -7.552 13.753 -5.964 1.00 0.00 O ATOM 710 CB ASN A 41 -10.419 15.660 -6.910 1.00 0.00 C ATOM 711 CG ASN A 41 -11.741 14.932 -7.063 1.00 0.00 C ATOM 712 OD1 ASN A 41 -12.391 14.594 -6.075 1.00 0.00 O ATOM 713 ND2 ASN A 41 -12.146 14.684 -8.302 1.00 0.00 N ATOM 0 H ASN A 41 -9.952 13.146 -8.378 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.385 15.484 -7.576 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.295 15.961 -5.870 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.443 16.573 -7.505 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -13.027 14.196 -8.462 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.576 14.982 -9.094 1.00 0.00 H new ATOM 720 N GLU A 42 -9.700 13.339 -5.459 1.00 0.00 N ATOM 721 CA GLU A 42 -9.381 12.468 -4.334 1.00 0.00 C ATOM 722 C GLU A 42 -10.345 11.290 -4.277 1.00 0.00 C ATOM 723 O GLU A 42 -9.948 10.162 -3.986 1.00 0.00 O ATOM 724 CB GLU A 42 -9.438 13.254 -3.022 1.00 0.00 C ATOM 725 CG GLU A 42 -8.487 14.439 -2.982 1.00 0.00 C ATOM 726 CD GLU A 42 -9.125 15.715 -3.496 1.00 0.00 C ATOM 727 OE1 GLU A 42 -10.216 16.073 -3.005 1.00 0.00 O ATOM 728 OE2 GLU A 42 -8.533 16.357 -4.389 1.00 0.00 O ATOM 0 H GLU A 42 -10.699 13.460 -5.627 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.370 12.084 -4.474 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.456 13.610 -2.865 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.204 12.583 -2.195 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.148 14.594 -1.958 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -7.604 14.212 -3.580 1.00 0.00 H new ATOM 735 N ALA A 43 -11.615 11.563 -4.557 1.00 0.00 N ATOM 736 CA ALA A 43 -12.642 10.533 -4.539 1.00 0.00 C ATOM 737 C ALA A 43 -12.427 9.504 -5.642 1.00 0.00 C ATOM 738 O ALA A 43 -13.053 8.447 -5.637 1.00 0.00 O ATOM 739 CB ALA A 43 -14.014 11.160 -4.686 1.00 0.00 C ATOM 0 H ALA A 43 -11.956 12.493 -4.800 1.00 0.00 H new ATOM 0 HA ALA A 43 -12.575 10.019 -3.580 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.774 10.379 -4.671 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -14.188 11.852 -3.862 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.068 11.701 -5.631 1.00 0.00 H new ATOM 745 N GLN A 44 -11.549 9.812 -6.591 1.00 0.00 N ATOM 746 CA GLN A 44 -11.279 8.891 -7.687 1.00 0.00 C ATOM 747 C GLN A 44 -9.869 8.337 -7.582 1.00 0.00 C ATOM 748 O GLN A 44 -9.589 7.238 -8.051 1.00 0.00 O ATOM 749 CB GLN A 44 -11.463 9.572 -9.045 1.00 0.00 C ATOM 750 CG GLN A 44 -12.871 10.096 -9.289 1.00 0.00 C ATOM 751 CD GLN A 44 -13.271 11.202 -8.330 1.00 0.00 C ATOM 752 OE1 GLN A 44 -14.452 11.377 -8.030 1.00 0.00 O ATOM 753 NE2 GLN A 44 -12.292 11.957 -7.843 1.00 0.00 N ATOM 0 H GLN A 44 -11.018 10.682 -6.623 1.00 0.00 H new ATOM 0 HA GLN A 44 -11.995 8.072 -7.611 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.759 10.401 -9.123 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.209 8.863 -9.833 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -12.942 10.467 -10.311 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -13.579 9.272 -9.199 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -11.326 11.779 -8.117 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -12.507 12.715 -7.195 1.00 0.00 H new ATOM 762 N ILE A 45 -8.986 9.097 -6.949 1.00 0.00 N ATOM 763 CA ILE A 45 -7.615 8.678 -6.775 1.00 0.00 C ATOM 764 C ILE A 45 -7.558 7.397 -5.986 1.00 0.00 C ATOM 765 O ILE A 45 -7.141 6.354 -6.488 1.00 0.00 O ATOM 766 CB ILE A 45 -6.800 9.750 -6.029 1.00 0.00 C ATOM 767 CG1 ILE A 45 -7.136 11.139 -6.549 1.00 0.00 C ATOM 768 CG2 ILE A 45 -5.328 9.474 -6.200 1.00 0.00 C ATOM 769 CD1 ILE A 45 -7.053 11.222 -8.047 1.00 0.00 C ATOM 0 H ILE A 45 -9.203 10.010 -6.548 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.188 8.527 -7.767 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.055 9.712 -4.970 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.141 11.412 -6.227 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.452 11.865 -6.109 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.752 10.233 -5.672 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.092 8.491 -5.793 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -5.074 9.498 -7.260 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -7.302 12.233 -8.370 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -6.041 10.977 -8.369 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -7.756 10.517 -8.490 1.00 0.00 H new ATOM 781 N LYS A 46 -8.001 7.483 -4.748 1.00 0.00 N ATOM 782 CA LYS A 46 -8.014 6.323 -3.873 1.00 0.00 C ATOM 783 C LYS A 46 -8.797 5.182 -4.517 1.00 0.00 C ATOM 784 O LYS A 46 -8.620 4.016 -4.168 1.00 0.00 O ATOM 785 CB LYS A 46 -8.627 6.682 -2.517 1.00 0.00 C ATOM 786 CG LYS A 46 -7.932 7.843 -1.824 1.00 0.00 C ATOM 787 CD LYS A 46 -8.659 8.249 -0.552 1.00 0.00 C ATOM 788 CE LYS A 46 -9.845 9.152 -0.853 1.00 0.00 C ATOM 789 NZ LYS A 46 -11.013 8.383 -1.365 1.00 0.00 N ATOM 0 H LYS A 46 -8.356 8.340 -4.324 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.985 5.999 -3.716 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.679 6.931 -2.657 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.590 5.807 -1.868 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.906 7.564 -1.584 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -7.880 8.695 -2.502 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.003 7.357 -0.028 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.968 8.764 0.115 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.132 9.688 0.052 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.553 9.901 -1.589 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.890 8.785 -0.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.036 8.437 -2.403 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.929 7.389 -1.072 1.00 0.00 H new ATOM 803 N ILE A 47 -9.670 5.538 -5.459 1.00 0.00 N ATOM 804 CA ILE A 47 -10.494 4.565 -6.157 1.00 0.00 C ATOM 805 C ILE A 47 -9.659 3.596 -6.998 1.00 0.00 C ATOM 806 O ILE A 47 -9.996 2.416 -7.096 1.00 0.00 O ATOM 807 CB ILE A 47 -11.551 5.292 -7.031 1.00 0.00 C ATOM 808 CG1 ILE A 47 -12.905 5.278 -6.325 1.00 0.00 C ATOM 809 CG2 ILE A 47 -11.665 4.695 -8.426 1.00 0.00 C ATOM 810 CD1 ILE A 47 -12.857 5.884 -4.939 1.00 0.00 C ATOM 0 H ILE A 47 -9.822 6.502 -5.754 1.00 0.00 H new ATOM 0 HA ILE A 47 -11.007 3.965 -5.405 1.00 0.00 H new ATOM 0 HB ILE A 47 -11.219 6.322 -7.160 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -13.629 5.825 -6.929 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -13.261 4.250 -6.254 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -12.418 5.241 -8.995 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -10.703 4.769 -8.933 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -11.956 3.647 -8.351 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -13.849 5.844 -4.490 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.156 5.323 -4.321 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -12.531 6.922 -5.007 1.00 0.00 H new ATOM 822 N TRP A 48 -8.570 4.076 -7.600 1.00 0.00 N ATOM 823 CA TRP A 48 -7.728 3.192 -8.413 1.00 0.00 C ATOM 824 C TRP A 48 -6.957 2.224 -7.524 1.00 0.00 C ATOM 825 O TRP A 48 -7.071 1.006 -7.661 1.00 0.00 O ATOM 826 CB TRP A 48 -6.728 3.967 -9.281 1.00 0.00 C ATOM 827 CG TRP A 48 -7.102 5.383 -9.555 1.00 0.00 C ATOM 828 CD1 TRP A 48 -8.314 5.857 -9.934 1.00 0.00 C ATOM 829 CD2 TRP A 48 -6.241 6.509 -9.475 1.00 0.00 C ATOM 830 NE1 TRP A 48 -8.266 7.212 -10.091 1.00 0.00 N ATOM 831 CE2 TRP A 48 -7.001 7.637 -9.812 1.00 0.00 C ATOM 832 CE3 TRP A 48 -4.903 6.671 -9.146 1.00 0.00 C ATOM 833 CZ2 TRP A 48 -6.467 8.909 -9.826 1.00 0.00 C ATOM 834 CZ3 TRP A 48 -4.371 7.940 -9.161 1.00 0.00 C ATOM 835 CH2 TRP A 48 -5.152 9.048 -9.497 1.00 0.00 C ATOM 0 H TRP A 48 -8.255 5.044 -7.545 1.00 0.00 H new ATOM 0 HA TRP A 48 -8.402 2.646 -9.073 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.755 3.952 -8.790 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -6.614 3.446 -10.232 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -9.193 5.249 -10.090 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -9.046 7.807 -10.370 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.292 5.820 -8.884 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -7.071 9.765 -10.089 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -3.331 8.082 -8.908 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -4.706 10.032 -9.496 1.00 0.00 H new ATOM 846 N PHE A 49 -6.164 2.784 -6.620 1.00 0.00 N ATOM 847 CA PHE A 49 -5.355 1.987 -5.703 1.00 0.00 C ATOM 848 C PHE A 49 -6.240 1.097 -4.838 1.00 0.00 C ATOM 849 O PHE A 49 -5.802 0.047 -4.368 1.00 0.00 O ATOM 850 CB PHE A 49 -4.476 2.883 -4.817 1.00 0.00 C ATOM 851 CG PHE A 49 -4.020 4.144 -5.498 1.00 0.00 C ATOM 852 CD1 PHE A 49 -4.861 5.235 -5.571 1.00 0.00 C ATOM 853 CD2 PHE A 49 -2.764 4.232 -6.078 1.00 0.00 C ATOM 854 CE1 PHE A 49 -4.469 6.386 -6.204 1.00 0.00 C ATOM 855 CE2 PHE A 49 -2.361 5.393 -6.715 1.00 0.00 C ATOM 856 CZ PHE A 49 -3.222 6.476 -6.778 1.00 0.00 C ATOM 0 H PHE A 49 -6.063 3.792 -6.501 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.701 1.353 -6.302 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.032 3.147 -3.917 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.601 2.317 -4.497 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -5.842 5.182 -5.123 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -2.093 3.387 -6.032 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -5.144 7.228 -6.252 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.379 5.454 -7.161 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.916 7.385 -7.274 1.00 0.00 H new ATOM 866 N GLN A 50 -7.491 1.508 -4.638 1.00 0.00 N ATOM 867 CA GLN A 50 -8.423 0.721 -3.840 1.00 0.00 C ATOM 868 C GLN A 50 -8.554 -0.680 -4.422 1.00 0.00 C ATOM 869 O GLN A 50 -8.792 -1.648 -3.700 1.00 0.00 O ATOM 870 CB GLN A 50 -9.796 1.399 -3.788 1.00 0.00 C ATOM 871 CG GLN A 50 -10.133 1.980 -2.425 1.00 0.00 C ATOM 872 CD GLN A 50 -11.628 2.059 -2.179 1.00 0.00 C ATOM 873 OE1 GLN A 50 -12.261 1.068 -1.814 1.00 0.00 O ATOM 874 NE2 GLN A 50 -12.200 3.241 -2.377 1.00 0.00 N ATOM 0 H GLN A 50 -7.878 2.373 -5.014 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.034 0.650 -2.824 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.828 2.195 -4.532 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.561 0.674 -4.065 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.673 1.368 -1.649 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -9.702 2.978 -2.342 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -11.637 4.036 -2.680 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -13.202 3.354 -2.226 1.00 0.00 H new ATOM 883 N ASN A 51 -8.382 -0.778 -5.736 1.00 0.00 N ATOM 884 CA ASN A 51 -8.464 -2.056 -6.426 1.00 0.00 C ATOM 885 C ASN A 51 -7.101 -2.738 -6.441 1.00 0.00 C ATOM 886 O ASN A 51 -7.009 -3.965 -6.464 1.00 0.00 O ATOM 887 CB ASN A 51 -8.971 -1.859 -7.856 1.00 0.00 C ATOM 888 CG ASN A 51 -10.482 -1.757 -7.925 1.00 0.00 C ATOM 889 OD1 ASN A 51 -11.191 -2.742 -7.718 1.00 0.00 O ATOM 890 ND2 ASN A 51 -10.982 -0.563 -8.219 1.00 0.00 N ATOM 0 H ASN A 51 -8.184 0.016 -6.344 1.00 0.00 H new ATOM 0 HA ASN A 51 -9.168 -2.693 -5.891 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -8.529 -0.954 -8.274 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -8.637 -2.692 -8.475 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.992 -0.434 -8.281 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -10.356 0.226 -8.383 1.00 0.00 H new