USER MOD reduce.3.24.130724 H: found=0, std=0, add=251, rem=0, adj=4 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= -0.609 K(o=-7.7,f=-0.0077) USER MOD Set 1.2: A 44 GLN : amide:sc= -7.05! K(o=-7.7!,f=-0.0077) USER MOD Single : A 23 ASN : amide:sc= 0.362 K(o=0.36,f=-0.91) USER MOD Single : A 25 TYR OH : rot 30:sc= -0.459 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= 0.148 K(o=0.15,f=-3.5!) USER MOD Single : A 33 GLN : amide:sc= -2.9! C(o=-2.9!,f=-0.56!) USER MOD Single : A 35 SER OG : rot 131:sc= 0.142 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.647 X(o=-0.65,f=-0.56) USER MOD ----------------------------------------------------------------- ATOM 392 N ASN A 23 2.006 3.440 -0.808 1.00 0.00 N ATOM 393 CA ASN A 23 0.741 4.104 -0.515 1.00 0.00 C ATOM 394 C ASN A 23 0.852 4.920 0.768 1.00 0.00 C ATOM 395 O ASN A 23 -0.082 4.977 1.568 1.00 0.00 O ATOM 396 CB ASN A 23 -0.395 3.082 -0.400 1.00 0.00 C ATOM 397 CG ASN A 23 -0.181 2.059 0.694 1.00 0.00 C ATOM 398 OD1 ASN A 23 0.047 0.883 0.411 1.00 0.00 O ATOM 399 ND2 ASN A 23 -0.273 2.491 1.948 1.00 0.00 N ATOM 0 HA ASN A 23 0.512 4.780 -1.339 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -1.330 3.610 -0.214 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -0.505 2.565 -1.353 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.153 1.838 2.722 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.463 3.475 2.136 1.00 0.00 H new ATOM 406 N ARG A 24 2.011 5.536 0.963 1.00 0.00 N ATOM 407 CA ARG A 24 2.266 6.332 2.158 1.00 0.00 C ATOM 408 C ARG A 24 2.904 7.678 1.814 1.00 0.00 C ATOM 409 O ARG A 24 2.690 8.674 2.505 1.00 0.00 O ATOM 410 CB ARG A 24 3.176 5.528 3.103 1.00 0.00 C ATOM 411 CG ARG A 24 4.298 6.325 3.758 1.00 0.00 C ATOM 412 CD ARG A 24 3.772 7.239 4.853 1.00 0.00 C ATOM 413 NE ARG A 24 4.771 8.216 5.280 1.00 0.00 N ATOM 414 CZ ARG A 24 5.792 7.928 6.086 1.00 0.00 C ATOM 415 NH1 ARG A 24 5.952 6.695 6.551 1.00 0.00 N ATOM 416 NH2 ARG A 24 6.654 8.876 6.427 1.00 0.00 N ATOM 0 H ARG A 24 2.792 5.500 0.307 1.00 0.00 H new ATOM 0 HA ARG A 24 1.316 6.546 2.648 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.560 5.087 3.887 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.617 4.704 2.543 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.034 5.640 4.178 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.811 6.920 3.002 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.885 7.761 4.494 1.00 0.00 H new ATOM 0 HD3 ARG A 24 3.464 6.639 5.709 1.00 0.00 H new ATOM 0 HE ARG A 24 4.682 9.174 4.941 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.291 5.962 6.292 1.00 0.00 H new ATOM 0 HH12 ARG A 24 6.736 6.480 7.168 1.00 0.00 H new ATOM 0 HH21 ARG A 24 6.535 9.825 6.072 1.00 0.00 H new ATOM 0 HH22 ARG A 24 7.436 8.656 7.044 1.00 0.00 H new ATOM 430 N TYR A 25 3.710 7.693 0.762 1.00 0.00 N ATOM 431 CA TYR A 25 4.408 8.906 0.348 1.00 0.00 C ATOM 432 C TYR A 25 3.783 9.534 -0.899 1.00 0.00 C ATOM 433 O TYR A 25 3.592 10.746 -0.951 1.00 0.00 O ATOM 434 CB TYR A 25 5.874 8.582 0.076 1.00 0.00 C ATOM 435 CG TYR A 25 6.057 7.872 -1.236 1.00 0.00 C ATOM 436 CD1 TYR A 25 5.734 6.531 -1.367 1.00 0.00 C ATOM 437 CD2 TYR A 25 6.507 8.557 -2.352 1.00 0.00 C ATOM 438 CE1 TYR A 25 5.863 5.888 -2.576 1.00 0.00 C ATOM 439 CE2 TYR A 25 6.635 7.925 -3.569 1.00 0.00 C ATOM 440 CZ TYR A 25 6.313 6.587 -3.679 1.00 0.00 C ATOM 441 OH TYR A 25 6.438 5.950 -4.892 1.00 0.00 O ATOM 0 H TYR A 25 3.898 6.879 0.178 1.00 0.00 H new ATOM 0 HA TYR A 25 4.323 9.629 1.159 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.455 9.504 0.074 1.00 0.00 H new ATOM 0 HB3 TYR A 25 6.264 7.961 0.882 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.376 5.983 -0.508 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.762 9.603 -2.267 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.613 4.841 -2.663 1.00 0.00 H new ATOM 0 HE2 TYR A 25 6.985 8.473 -4.432 1.00 0.00 H new ATOM 0 HH TYR A 25 5.774 5.231 -4.954 1.00 0.00 H new ATOM 451 N LEU A 26 3.477 8.709 -1.907 1.00 0.00 N ATOM 452 CA LEU A 26 2.880 9.207 -3.151 1.00 0.00 C ATOM 453 C LEU A 26 1.746 10.163 -2.834 1.00 0.00 C ATOM 454 O LEU A 26 1.531 11.159 -3.521 1.00 0.00 O ATOM 455 CB LEU A 26 2.355 8.047 -4.000 1.00 0.00 C ATOM 456 CG LEU A 26 1.580 6.980 -3.227 1.00 0.00 C ATOM 457 CD1 LEU A 26 0.387 6.493 -4.035 1.00 0.00 C ATOM 458 CD2 LEU A 26 2.494 5.820 -2.870 1.00 0.00 C ATOM 0 H LEU A 26 3.632 7.701 -1.886 1.00 0.00 H new ATOM 0 HA LEU A 26 3.650 9.733 -3.716 1.00 0.00 H new ATOM 0 HB2 LEU A 26 1.709 8.450 -4.780 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.199 7.571 -4.500 1.00 0.00 H new ATOM 0 HG LEU A 26 1.207 7.424 -2.304 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.151 5.734 -3.467 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -0.278 7.331 -4.243 1.00 0.00 H new ATOM 0 HD13 LEU A 26 0.735 6.064 -4.975 1.00 0.00 H new ATOM 0 HD21 LEU A 26 1.929 5.068 -2.320 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.894 5.378 -3.782 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.315 6.181 -2.251 1.00 0.00 H new ATOM 470 N THR A 27 1.048 9.850 -1.759 1.00 0.00 N ATOM 471 CA THR A 27 -0.061 10.659 -1.274 1.00 0.00 C ATOM 472 C THR A 27 0.373 12.118 -1.138 1.00 0.00 C ATOM 473 O THR A 27 -0.441 13.037 -1.218 1.00 0.00 O ATOM 474 CB THR A 27 -0.544 10.102 0.074 1.00 0.00 C ATOM 475 OG1 THR A 27 -0.002 10.843 1.154 1.00 0.00 O ATOM 476 CG2 THR A 27 -0.169 8.643 0.283 1.00 0.00 C ATOM 0 H THR A 27 1.233 9.023 -1.192 1.00 0.00 H new ATOM 0 HA THR A 27 -0.884 10.618 -1.987 1.00 0.00 H new ATOM 0 HB THR A 27 -1.630 10.187 0.049 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.325 10.471 2.001 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.538 8.308 1.252 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.616 8.036 -0.505 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.915 8.538 0.251 1.00 0.00 H new ATOM 484 N GLU A 28 1.676 12.311 -0.943 1.00 0.00 N ATOM 485 CA GLU A 28 2.263 13.636 -0.806 1.00 0.00 C ATOM 486 C GLU A 28 3.552 13.733 -1.623 1.00 0.00 C ATOM 487 O GLU A 28 4.431 14.540 -1.321 1.00 0.00 O ATOM 488 CB GLU A 28 2.560 13.927 0.664 1.00 0.00 C ATOM 489 CG GLU A 28 1.354 14.434 1.441 1.00 0.00 C ATOM 490 CD GLU A 28 1.617 15.759 2.128 1.00 0.00 C ATOM 491 OE1 GLU A 28 2.208 15.750 3.229 1.00 0.00 O ATOM 492 OE2 GLU A 28 1.229 16.806 1.567 1.00 0.00 O ATOM 0 H GLU A 28 2.352 11.550 -0.876 1.00 0.00 H new ATOM 0 HA GLU A 28 1.552 14.372 -1.180 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.931 13.018 1.138 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.358 14.667 0.725 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.509 14.543 0.762 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.070 13.692 2.187 1.00 0.00 H new ATOM 499 N ARG A 29 3.659 12.897 -2.656 1.00 0.00 N ATOM 500 CA ARG A 29 4.839 12.878 -3.516 1.00 0.00 C ATOM 501 C ARG A 29 4.442 12.891 -4.989 1.00 0.00 C ATOM 502 O ARG A 29 4.921 13.719 -5.763 1.00 0.00 O ATOM 503 CB ARG A 29 5.698 11.647 -3.214 1.00 0.00 C ATOM 504 CG ARG A 29 7.089 11.992 -2.706 1.00 0.00 C ATOM 505 CD ARG A 29 8.164 11.605 -3.708 1.00 0.00 C ATOM 506 NE ARG A 29 9.486 12.077 -3.303 1.00 0.00 N ATOM 507 CZ ARG A 29 10.242 11.472 -2.389 1.00 0.00 C ATOM 508 NH1 ARG A 29 9.810 10.373 -1.783 1.00 0.00 N ATOM 509 NH2 ARG A 29 11.432 11.968 -2.079 1.00 0.00 N ATOM 0 H ARG A 29 2.939 12.223 -2.917 1.00 0.00 H new ATOM 0 HA ARG A 29 5.421 13.776 -3.310 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.190 11.032 -2.471 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.788 11.045 -4.118 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.148 13.061 -2.504 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.270 11.478 -1.762 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.184 10.521 -3.817 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.915 12.019 -4.685 1.00 0.00 H new ATOM 0 HE ARG A 29 9.851 12.920 -3.747 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.895 9.988 -2.017 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.393 9.913 -1.084 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.768 12.813 -2.541 1.00 0.00 H new ATOM 0 HH22 ARG A 29 12.011 11.504 -1.379 1.00 0.00 H new ATOM 523 N ARG A 30 3.563 11.969 -5.370 1.00 0.00 N ATOM 524 CA ARG A 30 3.104 11.879 -6.751 1.00 0.00 C ATOM 525 C ARG A 30 1.585 11.745 -6.824 1.00 0.00 C ATOM 526 O ARG A 30 1.038 11.337 -7.847 1.00 0.00 O ATOM 527 CB ARG A 30 3.768 10.696 -7.459 1.00 0.00 C ATOM 528 CG ARG A 30 3.559 9.367 -6.752 1.00 0.00 C ATOM 529 CD ARG A 30 4.819 8.908 -6.035 1.00 0.00 C ATOM 530 NE ARG A 30 5.311 7.632 -6.551 1.00 0.00 N ATOM 531 CZ ARG A 30 6.077 7.513 -7.633 1.00 0.00 C ATOM 532 NH1 ARG A 30 6.442 8.587 -8.321 1.00 0.00 N ATOM 533 NH2 ARG A 30 6.481 6.313 -8.029 1.00 0.00 N ATOM 0 H ARG A 30 3.155 11.275 -4.743 1.00 0.00 H new ATOM 0 HA ARG A 30 3.389 12.802 -7.256 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.375 10.624 -8.473 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.838 10.888 -7.544 1.00 0.00 H new ATOM 0 HG2 ARG A 30 2.745 9.461 -6.033 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.258 8.612 -7.478 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.594 9.666 -6.144 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.615 8.813 -4.969 1.00 0.00 H new ATOM 0 HE ARG A 30 5.052 6.781 -6.052 1.00 0.00 H new ATOM 0 HH11 ARG A 30 6.135 9.513 -8.022 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.029 8.487 -9.149 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.205 5.483 -7.504 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.068 6.220 -8.858 1.00 0.00 H new ATOM 547 N ARG A 31 0.904 12.100 -5.737 1.00 0.00 N ATOM 548 CA ARG A 31 -0.550 12.025 -5.695 1.00 0.00 C ATOM 549 C ARG A 31 -1.146 13.047 -6.649 1.00 0.00 C ATOM 550 O ARG A 31 -2.103 12.764 -7.370 1.00 0.00 O ATOM 551 CB ARG A 31 -1.058 12.274 -4.274 1.00 0.00 C ATOM 552 CG ARG A 31 -2.573 12.234 -4.152 1.00 0.00 C ATOM 553 CD ARG A 31 -3.039 12.809 -2.824 1.00 0.00 C ATOM 554 NE ARG A 31 -2.405 14.092 -2.530 1.00 0.00 N ATOM 555 CZ ARG A 31 -2.692 15.225 -3.167 1.00 0.00 C ATOM 556 NH1 ARG A 31 -3.603 15.239 -4.132 1.00 0.00 N ATOM 557 NH2 ARG A 31 -2.067 16.347 -2.837 1.00 0.00 N ATOM 0 H ARG A 31 1.336 12.441 -4.878 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.859 11.026 -6.002 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.629 11.526 -3.608 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.700 13.246 -3.935 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.020 12.797 -4.971 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.920 11.205 -4.246 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -4.121 12.936 -2.844 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.815 12.103 -2.025 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.701 14.121 -1.793 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.087 14.379 -4.389 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -3.819 16.110 -4.617 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -1.367 16.342 -2.095 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -2.287 17.215 -3.325 1.00 0.00 H new ATOM 571 N GLN A 32 -0.558 14.237 -6.652 1.00 0.00 N ATOM 572 CA GLN A 32 -1.011 15.312 -7.524 1.00 0.00 C ATOM 573 C GLN A 32 -0.778 14.940 -8.984 1.00 0.00 C ATOM 574 O GLN A 32 -1.643 15.151 -9.835 1.00 0.00 O ATOM 575 CB GLN A 32 -0.281 16.614 -7.190 1.00 0.00 C ATOM 576 CG GLN A 32 -0.296 16.955 -5.710 1.00 0.00 C ATOM 577 CD GLN A 32 0.971 16.518 -4.999 1.00 0.00 C ATOM 578 OE1 GLN A 32 1.068 15.390 -4.517 1.00 0.00 O ATOM 579 NE2 GLN A 32 1.948 17.414 -4.928 1.00 0.00 N ATOM 0 H GLN A 32 0.235 14.482 -6.059 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.079 15.461 -7.364 1.00 0.00 H new ATOM 0 HB2 GLN A 32 0.753 16.538 -7.527 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.739 17.431 -7.748 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -0.423 18.031 -5.590 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -1.156 16.478 -5.239 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.824 18.338 -5.342 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.823 17.179 -4.459 1.00 0.00 H new ATOM 588 N GLN A 33 0.391 14.369 -9.266 1.00 0.00 N ATOM 589 CA GLN A 33 0.729 13.950 -10.622 1.00 0.00 C ATOM 590 C GLN A 33 -0.299 12.946 -11.126 1.00 0.00 C ATOM 591 O GLN A 33 -0.609 12.894 -12.317 1.00 0.00 O ATOM 592 CB GLN A 33 2.141 13.340 -10.658 1.00 0.00 C ATOM 593 CG GLN A 33 2.173 11.816 -10.662 1.00 0.00 C ATOM 594 CD GLN A 33 1.954 11.229 -12.044 1.00 0.00 C ATOM 595 OE1 GLN A 33 2.644 11.586 -12.999 1.00 0.00 O ATOM 596 NE2 GLN A 33 0.988 10.323 -12.156 1.00 0.00 N ATOM 0 H GLN A 33 1.118 14.187 -8.574 1.00 0.00 H new ATOM 0 HA GLN A 33 0.717 14.823 -11.275 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.657 13.704 -11.546 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.700 13.700 -9.795 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.134 11.476 -10.275 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.406 11.439 -9.986 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.441 10.057 -11.337 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.794 9.894 -13.061 1.00 0.00 H new ATOM 605 N LEU A 34 -0.825 12.156 -10.201 1.00 0.00 N ATOM 606 CA LEU A 34 -1.821 11.152 -10.523 1.00 0.00 C ATOM 607 C LEU A 34 -3.116 11.814 -10.958 1.00 0.00 C ATOM 608 O LEU A 34 -3.611 11.581 -12.059 1.00 0.00 O ATOM 609 CB LEU A 34 -2.076 10.265 -9.307 1.00 0.00 C ATOM 610 CG LEU A 34 -1.320 8.944 -9.310 1.00 0.00 C ATOM 611 CD1 LEU A 34 -1.392 8.288 -7.936 1.00 0.00 C ATOM 612 CD2 LEU A 34 -1.880 8.035 -10.392 1.00 0.00 C ATOM 0 H LEU A 34 -0.574 12.194 -9.213 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.447 10.539 -11.343 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.807 10.819 -8.408 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.144 10.056 -9.245 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.269 9.129 -9.531 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.847 7.344 -7.954 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.947 8.950 -7.193 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.434 8.100 -7.677 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.336 7.090 -10.391 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.936 7.846 -10.198 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.770 8.516 -11.364 1.00 0.00 H new ATOM 624 N SER A 35 -3.657 12.644 -10.077 1.00 0.00 N ATOM 625 CA SER A 35 -4.898 13.351 -10.351 1.00 0.00 C ATOM 626 C SER A 35 -4.836 14.074 -11.697 1.00 0.00 C ATOM 627 O SER A 35 -5.865 14.319 -12.326 1.00 0.00 O ATOM 628 CB SER A 35 -5.192 14.352 -9.231 1.00 0.00 C ATOM 629 OG SER A 35 -6.118 15.339 -9.656 1.00 0.00 O ATOM 0 H SER A 35 -3.253 12.844 -9.162 1.00 0.00 H new ATOM 0 HA SER A 35 -5.702 12.617 -10.397 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.590 13.825 -8.364 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.265 14.831 -8.915 1.00 0.00 H new ATOM 0 HG SER A 35 -6.833 15.424 -8.991 1.00 0.00 H new ATOM 635 N SER A 36 -3.626 14.414 -12.130 1.00 0.00 N ATOM 636 CA SER A 36 -3.436 15.111 -13.399 1.00 0.00 C ATOM 637 C SER A 36 -3.216 14.128 -14.548 1.00 0.00 C ATOM 638 O SER A 36 -3.404 14.475 -15.713 1.00 0.00 O ATOM 639 CB SER A 36 -2.249 16.071 -13.303 1.00 0.00 C ATOM 640 OG SER A 36 -2.539 17.156 -12.437 1.00 0.00 O ATOM 0 H SER A 36 -2.763 14.219 -11.622 1.00 0.00 H new ATOM 0 HA SER A 36 -4.344 15.678 -13.606 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.372 15.535 -12.939 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.002 16.449 -14.295 1.00 0.00 H new ATOM 0 HG SER A 36 -1.764 17.754 -12.391 1.00 0.00 H new ATOM 646 N GLU A 37 -2.815 12.902 -14.218 1.00 0.00 N ATOM 647 CA GLU A 37 -2.572 11.883 -15.234 1.00 0.00 C ATOM 648 C GLU A 37 -3.571 10.736 -15.109 1.00 0.00 C ATOM 649 O GLU A 37 -3.276 9.600 -15.479 1.00 0.00 O ATOM 650 CB GLU A 37 -1.143 11.347 -15.117 1.00 0.00 C ATOM 651 CG GLU A 37 -0.089 12.309 -15.640 1.00 0.00 C ATOM 652 CD GLU A 37 1.131 11.596 -16.187 1.00 0.00 C ATOM 653 OE1 GLU A 37 1.115 11.217 -17.376 1.00 0.00 O ATOM 654 OE2 GLU A 37 2.106 11.417 -15.426 1.00 0.00 O ATOM 0 H GLU A 37 -2.652 12.592 -13.260 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.701 12.345 -16.213 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.932 11.123 -14.071 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.070 10.408 -15.665 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.525 12.929 -16.424 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.216 12.979 -14.837 1.00 0.00 H new ATOM 661 N LEU A 38 -4.754 11.044 -14.587 1.00 0.00 N ATOM 662 CA LEU A 38 -5.801 10.043 -14.413 1.00 0.00 C ATOM 663 C LEU A 38 -7.143 10.580 -14.896 1.00 0.00 C ATOM 664 O LEU A 38 -7.774 10.009 -15.787 1.00 0.00 O ATOM 665 CB LEU A 38 -5.923 9.649 -12.938 1.00 0.00 C ATOM 666 CG LEU A 38 -5.358 8.277 -12.568 1.00 0.00 C ATOM 667 CD1 LEU A 38 -5.882 7.208 -13.507 1.00 0.00 C ATOM 668 CD2 LEU A 38 -3.841 8.303 -12.581 1.00 0.00 C ATOM 0 H LEU A 38 -5.012 11.981 -14.277 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.529 9.168 -15.003 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.417 10.404 -12.336 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.977 9.674 -12.660 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.689 8.034 -11.558 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.467 6.240 -13.225 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.969 7.169 -13.443 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.587 7.445 -14.529 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.458 7.318 -12.315 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.490 8.572 -13.577 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.484 9.038 -11.860 1.00 0.00 H new ATOM 680 N GLY A 39 -7.574 11.672 -14.281 1.00 0.00 N ATOM 681 CA GLY A 39 -8.845 12.278 -14.627 1.00 0.00 C ATOM 682 C GLY A 39 -9.712 12.505 -13.402 1.00 0.00 C ATOM 683 O GLY A 39 -10.771 13.127 -13.488 1.00 0.00 O ATOM 0 H GLY A 39 -7.061 12.153 -13.542 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.670 13.229 -15.130 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.373 11.637 -15.333 1.00 0.00 H new ATOM 687 N LEU A 40 -9.257 11.998 -12.255 1.00 0.00 N ATOM 688 CA LEU A 40 -9.991 12.145 -11.004 1.00 0.00 C ATOM 689 C LEU A 40 -9.555 13.394 -10.259 1.00 0.00 C ATOM 690 O LEU A 40 -9.003 14.327 -10.843 1.00 0.00 O ATOM 691 CB LEU A 40 -9.802 10.923 -10.099 1.00 0.00 C ATOM 692 CG LEU A 40 -9.147 9.700 -10.731 1.00 0.00 C ATOM 693 CD1 LEU A 40 -7.670 9.647 -10.372 1.00 0.00 C ATOM 694 CD2 LEU A 40 -9.853 8.454 -10.247 1.00 0.00 C ATOM 0 H LEU A 40 -8.382 11.482 -12.170 1.00 0.00 H new ATOM 0 HA LEU A 40 -11.046 12.232 -11.262 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.203 11.225 -9.240 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.779 10.627 -9.718 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.230 9.764 -11.816 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.215 8.769 -10.830 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.174 10.545 -10.739 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.561 9.589 -9.289 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.389 7.576 -10.696 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.776 8.391 -9.162 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.904 8.496 -10.534 1.00 0.00 H new ATOM 706 N ASN A 41 -9.811 13.396 -8.960 1.00 0.00 N ATOM 707 CA ASN A 41 -9.449 14.527 -8.111 1.00 0.00 C ATOM 708 C ASN A 41 -8.465 14.110 -7.025 1.00 0.00 C ATOM 709 O ASN A 41 -7.287 14.464 -7.071 1.00 0.00 O ATOM 710 CB ASN A 41 -10.695 15.161 -7.478 1.00 0.00 C ATOM 711 CG ASN A 41 -11.915 15.075 -8.375 1.00 0.00 C ATOM 712 OD1 ASN A 41 -11.828 15.289 -9.584 1.00 0.00 O ATOM 713 ND2 ASN A 41 -13.062 14.760 -7.785 1.00 0.00 N ATOM 0 H ASN A 41 -10.268 12.628 -8.468 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.965 15.269 -8.746 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.909 14.665 -6.532 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.490 16.207 -7.250 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -13.916 14.687 -8.337 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -13.089 14.591 -6.780 1.00 0.00 H new ATOM 720 N GLU A 42 -8.956 13.360 -6.053 1.00 0.00 N ATOM 721 CA GLU A 42 -8.129 12.888 -4.953 1.00 0.00 C ATOM 722 C GLU A 42 -8.896 11.856 -4.146 1.00 0.00 C ATOM 723 O GLU A 42 -8.367 10.801 -3.798 1.00 0.00 O ATOM 724 CB GLU A 42 -7.711 14.056 -4.058 1.00 0.00 C ATOM 725 CG GLU A 42 -6.367 13.851 -3.380 1.00 0.00 C ATOM 726 CD GLU A 42 -6.504 13.457 -1.923 1.00 0.00 C ATOM 727 OE1 GLU A 42 -6.915 12.309 -1.655 1.00 0.00 O ATOM 728 OE2 GLU A 42 -6.201 14.297 -1.050 1.00 0.00 O ATOM 0 H GLU A 42 -9.930 13.063 -6.003 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.228 12.428 -5.359 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.672 14.966 -4.657 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.474 14.209 -3.295 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -5.810 13.079 -3.911 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.784 14.769 -3.451 1.00 0.00 H new ATOM 735 N ALA A 43 -10.162 12.155 -3.874 1.00 0.00 N ATOM 736 CA ALA A 43 -11.013 11.238 -3.139 1.00 0.00 C ATOM 737 C ALA A 43 -11.217 9.963 -3.940 1.00 0.00 C ATOM 738 O ALA A 43 -11.590 8.930 -3.392 1.00 0.00 O ATOM 739 CB ALA A 43 -12.352 11.879 -2.825 1.00 0.00 C ATOM 0 H ALA A 43 -10.617 13.024 -4.153 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.523 10.993 -2.197 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.973 11.173 -2.274 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.195 12.773 -2.221 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -12.851 12.153 -3.754 1.00 0.00 H new ATOM 745 N GLN A 44 -10.951 10.041 -5.242 1.00 0.00 N ATOM 746 CA GLN A 44 -11.084 8.883 -6.116 1.00 0.00 C ATOM 747 C GLN A 44 -9.720 8.248 -6.342 1.00 0.00 C ATOM 748 O GLN A 44 -9.619 7.092 -6.750 1.00 0.00 O ATOM 749 CB GLN A 44 -11.711 9.271 -7.457 1.00 0.00 C ATOM 750 CG GLN A 44 -13.068 9.946 -7.323 1.00 0.00 C ATOM 751 CD GLN A 44 -12.989 11.455 -7.123 1.00 0.00 C ATOM 752 OE1 GLN A 44 -14.016 12.119 -6.990 1.00 0.00 O ATOM 753 NE2 GLN A 44 -11.779 12.012 -7.099 1.00 0.00 N ATOM 0 H GLN A 44 -10.643 10.892 -5.712 1.00 0.00 H new ATOM 0 HA GLN A 44 -11.743 8.163 -5.631 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -11.032 9.940 -7.986 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.819 8.377 -8.071 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.656 9.738 -8.217 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -13.601 9.505 -6.481 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -10.948 11.431 -7.212 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -11.684 13.019 -6.967 1.00 0.00 H new ATOM 762 N ILE A 45 -8.672 9.013 -6.052 1.00 0.00 N ATOM 763 CA ILE A 45 -7.312 8.537 -6.195 1.00 0.00 C ATOM 764 C ILE A 45 -7.086 7.363 -5.268 1.00 0.00 C ATOM 765 O ILE A 45 -6.789 6.255 -5.711 1.00 0.00 O ATOM 766 CB ILE A 45 -6.306 9.669 -5.890 1.00 0.00 C ATOM 767 CG1 ILE A 45 -6.287 10.680 -7.039 1.00 0.00 C ATOM 768 CG2 ILE A 45 -4.916 9.115 -5.640 1.00 0.00 C ATOM 769 CD1 ILE A 45 -5.336 10.311 -8.158 1.00 0.00 C ATOM 0 H ILE A 45 -8.747 9.973 -5.714 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.155 8.214 -7.224 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.628 10.177 -4.981 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.294 10.774 -7.446 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.010 11.658 -6.646 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.230 9.935 -5.428 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.943 8.435 -4.788 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.575 8.576 -6.524 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.377 11.073 -8.936 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.321 10.246 -7.766 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.625 9.348 -8.578 1.00 0.00 H new ATOM 781 N LYS A 46 -7.273 7.607 -3.982 1.00 0.00 N ATOM 782 CA LYS A 46 -7.125 6.562 -2.980 1.00 0.00 C ATOM 783 C LYS A 46 -8.052 5.389 -3.299 1.00 0.00 C ATOM 784 O LYS A 46 -7.876 4.282 -2.789 1.00 0.00 O ATOM 785 CB LYS A 46 -7.444 7.113 -1.590 1.00 0.00 C ATOM 786 CG LYS A 46 -8.713 7.948 -1.541 1.00 0.00 C ATOM 787 CD LYS A 46 -9.482 7.720 -0.250 1.00 0.00 C ATOM 788 CE LYS A 46 -10.479 8.837 0.010 1.00 0.00 C ATOM 789 NZ LYS A 46 -11.201 8.648 1.298 1.00 0.00 N ATOM 0 H LYS A 46 -7.528 8.520 -3.606 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.093 6.212 -2.993 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.540 6.281 -0.892 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -6.606 7.721 -1.249 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.458 9.004 -1.632 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.347 7.698 -2.392 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.008 6.767 -0.302 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.783 7.653 0.584 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.957 9.794 0.024 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.199 8.878 -0.807 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -11.871 9.431 1.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -11.720 7.747 1.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -10.517 8.634 2.081 1.00 0.00 H new ATOM 803 N ILE A 47 -9.059 5.658 -4.131 1.00 0.00 N ATOM 804 CA ILE A 47 -10.046 4.657 -4.510 1.00 0.00 C ATOM 805 C ILE A 47 -9.561 3.685 -5.585 1.00 0.00 C ATOM 806 O ILE A 47 -9.752 2.477 -5.453 1.00 0.00 O ATOM 807 CB ILE A 47 -11.339 5.351 -5.001 1.00 0.00 C ATOM 808 CG1 ILE A 47 -12.362 5.406 -3.874 1.00 0.00 C ATOM 809 CG2 ILE A 47 -11.919 4.669 -6.235 1.00 0.00 C ATOM 810 CD1 ILE A 47 -11.974 6.383 -2.794 1.00 0.00 C ATOM 0 H ILE A 47 -9.210 6.572 -4.557 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.234 4.067 -3.613 1.00 0.00 H new ATOM 0 HB ILE A 47 -11.083 6.369 -5.294 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -13.333 5.686 -4.282 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -12.473 4.413 -3.439 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -12.826 5.189 -6.546 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -11.189 4.698 -7.044 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -12.158 3.632 -5.999 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.736 6.385 -2.014 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -11.016 6.089 -2.365 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.889 7.382 -3.221 1.00 0.00 H new ATOM 822 N TRP A 48 -8.989 4.193 -6.672 1.00 0.00 N ATOM 823 CA TRP A 48 -8.570 3.299 -7.743 1.00 0.00 C ATOM 824 C TRP A 48 -7.463 2.347 -7.303 1.00 0.00 C ATOM 825 O TRP A 48 -7.350 1.247 -7.841 1.00 0.00 O ATOM 826 CB TRP A 48 -8.207 4.040 -9.032 1.00 0.00 C ATOM 827 CG TRP A 48 -7.332 5.241 -8.879 1.00 0.00 C ATOM 828 CD1 TRP A 48 -7.718 6.536 -8.749 1.00 0.00 C ATOM 829 CD2 TRP A 48 -5.914 5.252 -8.892 1.00 0.00 C ATOM 830 NE1 TRP A 48 -6.620 7.348 -8.691 1.00 0.00 N ATOM 831 CE2 TRP A 48 -5.497 6.579 -8.765 1.00 0.00 C ATOM 832 CE3 TRP A 48 -4.966 4.259 -8.995 1.00 0.00 C ATOM 833 CZ2 TRP A 48 -4.157 6.934 -8.741 1.00 0.00 C ATOM 834 CZ3 TRP A 48 -3.633 4.596 -8.971 1.00 0.00 C ATOM 835 CH2 TRP A 48 -3.237 5.926 -8.846 1.00 0.00 C ATOM 0 H TRP A 48 -8.810 5.184 -6.832 1.00 0.00 H new ATOM 0 HA TRP A 48 -9.442 2.688 -7.977 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -7.711 3.338 -9.702 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -9.131 4.349 -9.521 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -8.742 6.875 -8.699 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.638 8.364 -8.606 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -5.266 3.226 -9.094 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -3.851 7.965 -8.643 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.885 3.821 -9.050 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.184 6.166 -8.832 1.00 0.00 H new ATOM 846 N PHE A 49 -6.677 2.728 -6.296 1.00 0.00 N ATOM 847 CA PHE A 49 -5.640 1.817 -5.801 1.00 0.00 C ATOM 848 C PHE A 49 -6.318 0.626 -5.156 1.00 0.00 C ATOM 849 O PHE A 49 -6.040 -0.527 -5.489 1.00 0.00 O ATOM 850 CB PHE A 49 -4.718 2.451 -4.759 1.00 0.00 C ATOM 851 CG PHE A 49 -4.199 3.799 -5.102 1.00 0.00 C ATOM 852 CD1 PHE A 49 -3.112 3.951 -5.939 1.00 0.00 C ATOM 853 CD2 PHE A 49 -4.788 4.913 -4.560 1.00 0.00 C ATOM 854 CE1 PHE A 49 -2.624 5.206 -6.229 1.00 0.00 C ATOM 855 CE2 PHE A 49 -4.314 6.168 -4.844 1.00 0.00 C ATOM 856 CZ PHE A 49 -3.227 6.323 -5.681 1.00 0.00 C ATOM 0 H PHE A 49 -6.732 3.628 -5.820 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.026 1.539 -6.658 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.258 2.518 -3.814 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.871 1.785 -4.596 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.641 3.080 -6.370 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.636 4.800 -3.901 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.772 5.317 -6.883 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.791 7.036 -4.413 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.850 7.310 -5.906 1.00 0.00 H new ATOM 866 N GLN A 50 -7.226 0.922 -4.225 1.00 0.00 N ATOM 867 CA GLN A 50 -7.963 -0.122 -3.527 1.00 0.00 C ATOM 868 C GLN A 50 -8.684 -1.013 -4.533 1.00 0.00 C ATOM 869 O GLN A 50 -8.922 -2.194 -4.279 1.00 0.00 O ATOM 870 CB GLN A 50 -8.956 0.490 -2.527 1.00 0.00 C ATOM 871 CG GLN A 50 -10.192 1.110 -3.163 1.00 0.00 C ATOM 872 CD GLN A 50 -11.437 0.924 -2.318 1.00 0.00 C ATOM 873 OE1 GLN A 50 -12.039 -0.149 -2.306 1.00 0.00 O ATOM 874 NE2 GLN A 50 -11.830 1.974 -1.605 1.00 0.00 N ATOM 0 H GLN A 50 -7.465 1.872 -3.941 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.257 -0.734 -2.965 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.272 -0.285 -1.828 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.441 1.254 -1.944 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -10.020 2.175 -3.321 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -10.353 0.664 -4.145 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -11.300 2.845 -1.645 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -12.661 1.909 -1.018 1.00 0.00 H new ATOM 883 N ASN A 51 -9.007 -0.437 -5.687 1.00 0.00 N ATOM 884 CA ASN A 51 -9.674 -1.171 -6.748 1.00 0.00 C ATOM 885 C ASN A 51 -8.644 -1.905 -7.595 1.00 0.00 C ATOM 886 O ASN A 51 -8.918 -2.978 -8.133 1.00 0.00 O ATOM 887 CB ASN A 51 -10.496 -0.220 -7.621 1.00 0.00 C ATOM 888 CG ASN A 51 -11.847 0.102 -7.015 1.00 0.00 C ATOM 889 OD1 ASN A 51 -12.567 -0.790 -6.565 1.00 0.00 O ATOM 890 ND2 ASN A 51 -12.198 1.382 -6.998 1.00 0.00 N ATOM 0 H ASN A 51 -8.815 0.540 -5.908 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.350 -1.899 -6.300 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -9.938 0.705 -7.770 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.640 -0.667 -8.604 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -13.096 1.659 -6.601 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.570 2.088 -7.382 1.00 0.00 H new