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 Single : A 23 ASN : amide:sc= 0.242 K(o=0.24,f=-0.76) USER MOD Single : A 25 TYR OH : rot 30:sc= 0 USER MOD Single : A 27 THR OG1 : rot -101:sc= 0.354 USER MOD Single : A 32 GLN : amide:sc= -0.184 K(o=-0.18,f=-1.1) USER MOD Single : A 33 GLN : amide:sc= -2.36 K(o=-2.4,f=-0.59) USER MOD Single : A 35 SER OG : rot 180:sc= -1.35 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.523 X(o=-0.52,f=-0.52) USER MOD Single : A 44 GLN : amide:sc= -6.87! K(o=-6.9!,f=0.38) 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= -0.345 X(o=-0.35,f=0) USER MOD ----------------------------------------------------------------- ATOM 392 N ASN A 23 2.979 3.151 -1.514 1.00 0.00 N ATOM 393 CA ASN A 23 1.718 3.828 -1.795 1.00 0.00 C ATOM 394 C ASN A 23 1.224 4.613 -0.580 1.00 0.00 C ATOM 395 O ASN A 23 0.029 4.639 -0.289 1.00 0.00 O ATOM 396 CB ASN A 23 0.653 2.820 -2.237 1.00 0.00 C ATOM 397 CG ASN A 23 0.382 1.740 -1.211 1.00 0.00 C ATOM 398 OD1 ASN A 23 0.710 0.573 -1.427 1.00 0.00 O ATOM 399 ND2 ASN A 23 -0.233 2.115 -0.094 1.00 0.00 N ATOM 0 HA ASN A 23 1.897 4.534 -2.606 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.275 3.352 -2.447 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.970 2.353 -3.169 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.451 1.425 0.625 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.487 3.093 0.045 1.00 0.00 H new ATOM 406 N ARG A 24 2.152 5.248 0.127 1.00 0.00 N ATOM 407 CA ARG A 24 1.815 6.027 1.318 1.00 0.00 C ATOM 408 C ARG A 24 2.331 7.460 1.199 1.00 0.00 C ATOM 409 O ARG A 24 1.680 8.412 1.629 1.00 0.00 O ATOM 410 CB ARG A 24 2.416 5.337 2.552 1.00 0.00 C ATOM 411 CG ARG A 24 3.165 6.265 3.502 1.00 0.00 C ATOM 412 CD ARG A 24 3.124 5.752 4.933 1.00 0.00 C ATOM 413 NE ARG A 24 2.589 6.751 5.856 1.00 0.00 N ATOM 414 CZ ARG A 24 1.289 7.004 6.004 1.00 0.00 C ATOM 415 NH1 ARG A 24 0.389 6.333 5.294 1.00 0.00 N ATOM 416 NH2 ARG A 24 0.887 7.927 6.866 1.00 0.00 N ATOM 0 H ARG A 24 3.146 5.240 -0.103 1.00 0.00 H new ATOM 0 HA ARG A 24 0.731 6.076 1.419 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.614 4.846 3.103 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.098 4.555 2.218 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.201 6.359 3.178 1.00 0.00 H new ATOM 0 HG3 ARG A 24 2.726 7.262 3.459 1.00 0.00 H new ATOM 0 HD2 ARG A 24 2.512 4.851 4.978 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.129 5.470 5.246 1.00 0.00 H new ATOM 0 HE ARG A 24 3.249 7.286 6.420 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.691 5.619 4.631 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -0.605 6.531 5.412 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.573 8.444 7.416 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.108 8.120 6.979 1.00 0.00 H new ATOM 430 N TYR A 25 3.513 7.586 0.628 1.00 0.00 N ATOM 431 CA TYR A 25 4.167 8.879 0.445 1.00 0.00 C ATOM 432 C TYR A 25 3.662 9.574 -0.818 1.00 0.00 C ATOM 433 O TYR A 25 3.453 10.785 -0.827 1.00 0.00 O ATOM 434 CB TYR A 25 5.674 8.669 0.321 1.00 0.00 C ATOM 435 CG TYR A 25 6.019 8.021 -0.989 1.00 0.00 C ATOM 436 CD1 TYR A 25 5.735 6.683 -1.201 1.00 0.00 C ATOM 437 CD2 TYR A 25 6.561 8.755 -2.030 1.00 0.00 C ATOM 438 CE1 TYR A 25 5.990 6.088 -2.409 1.00 0.00 C ATOM 439 CE2 TYR A 25 6.815 8.172 -3.251 1.00 0.00 C ATOM 440 CZ TYR A 25 6.528 6.833 -3.439 1.00 0.00 C ATOM 441 OH TYR A 25 6.781 6.242 -4.656 1.00 0.00 O ATOM 0 H TYR A 25 4.053 6.796 0.275 1.00 0.00 H new ATOM 0 HA TYR A 25 3.937 9.505 1.307 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.187 9.627 0.403 1.00 0.00 H new ATOM 0 HB3 TYR A 25 6.027 8.047 1.143 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.305 6.098 -0.401 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.788 9.800 -1.882 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.771 5.041 -2.554 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.235 8.757 -4.056 1.00 0.00 H new ATOM 0 HH TYR A 25 6.141 5.515 -4.806 1.00 0.00 H new ATOM 451 N LEU A 26 3.480 8.795 -1.891 1.00 0.00 N ATOM 452 CA LEU A 26 3.010 9.335 -3.167 1.00 0.00 C ATOM 453 C LEU A 26 1.802 10.236 -2.953 1.00 0.00 C ATOM 454 O LEU A 26 1.567 11.179 -3.704 1.00 0.00 O ATOM 455 CB LEU A 26 2.662 8.195 -4.135 1.00 0.00 C ATOM 456 CG LEU A 26 1.287 7.553 -3.933 1.00 0.00 C ATOM 457 CD1 LEU A 26 0.965 6.605 -5.078 1.00 0.00 C ATOM 458 CD2 LEU A 26 1.231 6.819 -2.603 1.00 0.00 C ATOM 0 H LEU A 26 3.652 7.790 -1.898 1.00 0.00 H new ATOM 0 HA LEU A 26 3.811 9.930 -3.605 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.718 8.578 -5.154 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.422 7.419 -4.043 1.00 0.00 H new ATOM 0 HG LEU A 26 0.538 8.345 -3.922 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -0.016 6.159 -4.916 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.962 7.157 -6.018 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.718 5.819 -5.122 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.246 6.369 -2.477 1.00 0.00 H new ATOM 0 HD22 LEU A 26 1.991 6.038 -2.586 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.415 7.523 -1.791 1.00 0.00 H new ATOM 470 N THR A 27 1.063 9.940 -1.899 1.00 0.00 N ATOM 471 CA THR A 27 -0.116 10.706 -1.525 1.00 0.00 C ATOM 472 C THR A 27 0.268 12.166 -1.294 1.00 0.00 C ATOM 473 O THR A 27 -0.556 13.072 -1.422 1.00 0.00 O ATOM 474 CB THR A 27 -0.744 10.096 -0.266 1.00 0.00 C ATOM 475 OG1 THR A 27 -0.192 10.674 0.905 1.00 0.00 O ATOM 476 CG2 THR A 27 -0.550 8.591 -0.173 1.00 0.00 C ATOM 0 H THR A 27 1.263 9.159 -1.275 1.00 0.00 H new ATOM 0 HA THR A 27 -0.850 10.670 -2.330 1.00 0.00 H new ATOM 0 HB THR A 27 -1.810 10.308 -0.342 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.474 10.066 1.287 1.00 0.00 H new ATOM 0 HG21 THR A 27 -1.017 8.220 0.739 1.00 0.00 H new ATOM 0 HG22 THR A 27 -1.009 8.111 -1.037 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.516 8.362 -0.155 1.00 0.00 H new ATOM 484 N GLU A 28 1.542 12.374 -0.979 1.00 0.00 N ATOM 485 CA GLU A 28 2.090 13.702 -0.753 1.00 0.00 C ATOM 486 C GLU A 28 3.372 13.877 -1.570 1.00 0.00 C ATOM 487 O GLU A 28 4.210 14.722 -1.261 1.00 0.00 O ATOM 488 CB GLU A 28 2.384 13.907 0.734 1.00 0.00 C ATOM 489 CG GLU A 28 1.238 14.550 1.497 1.00 0.00 C ATOM 490 CD GLU A 28 0.846 13.764 2.734 1.00 0.00 C ATOM 491 OE1 GLU A 28 1.685 12.985 3.233 1.00 0.00 O ATOM 492 OE2 GLU A 28 -0.301 13.928 3.203 1.00 0.00 O ATOM 0 H GLU A 28 2.224 11.623 -0.873 1.00 0.00 H new ATOM 0 HA GLU A 28 1.359 14.446 -1.070 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.615 12.943 1.187 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.273 14.529 0.838 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.523 15.561 1.789 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.374 14.640 0.839 1.00 0.00 H new ATOM 499 N ARG A 29 3.511 13.058 -2.615 1.00 0.00 N ATOM 500 CA ARG A 29 4.683 13.098 -3.484 1.00 0.00 C ATOM 501 C ARG A 29 4.272 13.225 -4.949 1.00 0.00 C ATOM 502 O ARG A 29 4.764 14.095 -5.667 1.00 0.00 O ATOM 503 CB ARG A 29 5.530 11.837 -3.290 1.00 0.00 C ATOM 504 CG ARG A 29 7.021 12.118 -3.192 1.00 0.00 C ATOM 505 CD ARG A 29 7.777 11.565 -4.390 1.00 0.00 C ATOM 506 NE ARG A 29 7.775 12.494 -5.519 1.00 0.00 N ATOM 507 CZ ARG A 29 8.451 13.641 -5.537 1.00 0.00 C ATOM 508 NH1 ARG A 29 9.179 14.006 -4.490 1.00 0.00 N ATOM 509 NH2 ARG A 29 8.398 14.424 -6.606 1.00 0.00 N ATOM 0 H ARG A 29 2.820 12.356 -2.879 1.00 0.00 H new ATOM 0 HA ARG A 29 5.274 13.973 -3.213 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.204 11.326 -2.384 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.350 11.156 -4.122 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.185 13.193 -3.123 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.415 11.676 -2.277 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.806 11.349 -4.101 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.327 10.621 -4.697 1.00 0.00 H new ATOM 0 HE ARG A 29 7.223 12.249 -6.341 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.223 13.407 -3.666 1.00 0.00 H new ATOM 0 HH12 ARG A 29 9.695 14.886 -4.509 1.00 0.00 H new ATOM 0 HH21 ARG A 29 7.840 14.147 -7.414 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.916 15.303 -6.621 1.00 0.00 H new ATOM 523 N ARG A 30 3.370 12.349 -5.390 1.00 0.00 N ATOM 524 CA ARG A 30 2.904 12.367 -6.775 1.00 0.00 C ATOM 525 C ARG A 30 1.377 12.316 -6.863 1.00 0.00 C ATOM 526 O ARG A 30 0.817 12.246 -7.957 1.00 0.00 O ATOM 527 CB ARG A 30 3.502 11.195 -7.560 1.00 0.00 C ATOM 528 CG ARG A 30 4.907 10.813 -7.121 1.00 0.00 C ATOM 529 CD ARG A 30 4.881 9.680 -6.109 1.00 0.00 C ATOM 530 NE ARG A 30 4.682 8.379 -6.745 1.00 0.00 N ATOM 531 CZ ARG A 30 5.651 7.692 -7.347 1.00 0.00 C ATOM 532 NH1 ARG A 30 6.885 8.176 -7.398 1.00 0.00 N ATOM 533 NH2 ARG A 30 5.384 6.516 -7.898 1.00 0.00 N ATOM 0 H ARG A 30 2.950 11.622 -4.811 1.00 0.00 H new ATOM 0 HA ARG A 30 3.239 13.307 -7.213 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.850 10.328 -7.453 1.00 0.00 H new ATOM 0 HB3 ARG A 30 3.520 11.451 -8.619 1.00 0.00 H new ATOM 0 HG2 ARG A 30 5.493 10.514 -7.990 1.00 0.00 H new ATOM 0 HG3 ARG A 30 5.403 11.681 -6.686 1.00 0.00 H new ATOM 0 HD2 ARG A 30 5.818 9.671 -5.551 1.00 0.00 H new ATOM 0 HD3 ARG A 30 4.083 9.857 -5.388 1.00 0.00 H new ATOM 0 HE ARG A 30 3.746 7.974 -6.727 1.00 0.00 H new ATOM 0 HH11 ARG A 30 7.096 9.080 -6.975 1.00 0.00 H new ATOM 0 HH12 ARG A 30 7.623 7.645 -7.861 1.00 0.00 H new ATOM 0 HH21 ARG A 30 4.437 6.138 -7.861 1.00 0.00 H new ATOM 0 HH22 ARG A 30 6.125 5.989 -8.359 1.00 0.00 H new ATOM 547 N ARG A 31 0.704 12.353 -5.714 1.00 0.00 N ATOM 548 CA ARG A 31 -0.755 12.312 -5.685 1.00 0.00 C ATOM 549 C ARG A 31 -1.341 13.474 -6.475 1.00 0.00 C ATOM 550 O ARG A 31 -2.453 13.387 -6.995 1.00 0.00 O ATOM 551 CB ARG A 31 -1.262 12.358 -4.245 1.00 0.00 C ATOM 552 CG ARG A 31 -2.477 11.477 -4.000 1.00 0.00 C ATOM 553 CD ARG A 31 -3.246 11.918 -2.764 1.00 0.00 C ATOM 554 NE ARG A 31 -3.824 10.785 -2.044 1.00 0.00 N ATOM 555 CZ ARG A 31 -4.697 10.909 -1.048 1.00 0.00 C ATOM 556 NH1 ARG A 31 -5.094 12.111 -0.650 1.00 0.00 N ATOM 557 NH2 ARG A 31 -5.175 9.827 -0.447 1.00 0.00 N ATOM 0 H ARG A 31 1.144 12.411 -4.796 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.076 11.377 -6.145 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.459 12.050 -3.576 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -1.512 13.388 -3.989 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -3.133 11.511 -4.869 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.159 10.441 -3.881 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.579 12.468 -2.099 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.040 12.604 -3.057 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.542 9.845 -2.321 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -4.730 12.946 -1.108 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.764 12.200 0.114 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -4.873 8.901 -0.749 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -5.844 9.922 0.317 1.00 0.00 H new ATOM 571 N GLN A 32 -0.579 14.556 -6.570 1.00 0.00 N ATOM 572 CA GLN A 32 -1.018 15.731 -7.311 1.00 0.00 C ATOM 573 C GLN A 32 -0.732 15.549 -8.796 1.00 0.00 C ATOM 574 O GLN A 32 -1.349 16.192 -9.645 1.00 0.00 O ATOM 575 CB GLN A 32 -0.319 16.987 -6.789 1.00 0.00 C ATOM 576 CG GLN A 32 1.197 16.923 -6.881 1.00 0.00 C ATOM 577 CD GLN A 32 1.880 17.330 -5.590 1.00 0.00 C ATOM 578 OE1 GLN A 32 1.310 18.056 -4.775 1.00 0.00 O ATOM 579 NE2 GLN A 32 3.107 16.862 -5.397 1.00 0.00 N ATOM 0 H GLN A 32 0.344 14.644 -6.144 1.00 0.00 H new ATOM 0 HA GLN A 32 -2.092 15.850 -7.169 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.673 17.850 -7.353 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.605 17.146 -5.749 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.498 15.909 -7.142 1.00 0.00 H new ATOM 0 HG3 GLN A 32 1.536 17.574 -7.687 1.00 0.00 H new ATOM 0 HE21 GLN A 32 3.541 16.263 -6.100 1.00 0.00 H new ATOM 0 HE22 GLN A 32 3.616 17.101 -4.546 1.00 0.00 H new ATOM 588 N GLN A 33 0.200 14.651 -9.096 1.00 0.00 N ATOM 589 CA GLN A 33 0.568 14.354 -10.469 1.00 0.00 C ATOM 590 C GLN A 33 -0.337 13.263 -11.012 1.00 0.00 C ATOM 591 O GLN A 33 -0.750 13.293 -12.171 1.00 0.00 O ATOM 592 CB GLN A 33 2.028 13.912 -10.530 1.00 0.00 C ATOM 593 CG GLN A 33 2.793 14.524 -11.685 1.00 0.00 C ATOM 594 CD GLN A 33 2.159 14.227 -13.031 1.00 0.00 C ATOM 595 OE1 GLN A 33 2.141 15.079 -13.921 1.00 0.00 O ATOM 596 NE2 GLN A 33 1.634 13.016 -13.190 1.00 0.00 N ATOM 0 H GLN A 33 0.716 14.114 -8.399 1.00 0.00 H new ATOM 0 HA GLN A 33 0.449 15.249 -11.079 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.520 14.180 -9.595 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.068 12.826 -10.612 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.851 15.604 -11.546 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.816 14.147 -11.679 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.670 12.340 -12.427 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.195 12.763 -14.075 1.00 0.00 H new ATOM 605 N LEU A 34 -0.653 12.310 -10.148 1.00 0.00 N ATOM 606 CA LEU A 34 -1.525 11.209 -10.502 1.00 0.00 C ATOM 607 C LEU A 34 -2.922 11.735 -10.791 1.00 0.00 C ATOM 608 O LEU A 34 -3.520 11.420 -11.817 1.00 0.00 O ATOM 609 CB LEU A 34 -1.570 10.200 -9.359 1.00 0.00 C ATOM 610 CG LEU A 34 -1.312 8.755 -9.762 1.00 0.00 C ATOM 611 CD1 LEU A 34 -1.325 7.870 -8.527 1.00 0.00 C ATOM 612 CD2 LEU A 34 -2.347 8.296 -10.778 1.00 0.00 C ATOM 0 H LEU A 34 -0.312 12.281 -9.187 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.140 10.715 -11.394 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.832 10.489 -8.611 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.548 10.259 -8.882 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.331 8.681 -10.230 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -1.140 6.836 -8.818 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.547 8.197 -7.837 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.297 7.941 -8.039 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.149 7.261 -11.057 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.343 8.371 -10.342 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.291 8.927 -11.665 1.00 0.00 H new ATOM 624 N SER A 35 -3.426 12.554 -9.877 1.00 0.00 N ATOM 625 CA SER A 35 -4.746 13.151 -10.021 1.00 0.00 C ATOM 626 C SER A 35 -4.929 13.752 -11.415 1.00 0.00 C ATOM 627 O SER A 35 -6.049 13.850 -11.915 1.00 0.00 O ATOM 628 CB SER A 35 -4.941 14.225 -8.949 1.00 0.00 C ATOM 629 OG SER A 35 -6.131 14.002 -8.214 1.00 0.00 O ATOM 0 H SER A 35 -2.936 12.821 -9.023 1.00 0.00 H new ATOM 0 HA SER A 35 -5.497 12.371 -9.893 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.087 14.227 -8.272 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.978 15.208 -9.418 1.00 0.00 H new ATOM 0 HG SER A 35 -6.232 14.701 -7.534 1.00 0.00 H new ATOM 635 N SER A 36 -3.821 14.154 -12.038 1.00 0.00 N ATOM 636 CA SER A 36 -3.867 14.742 -13.373 1.00 0.00 C ATOM 637 C SER A 36 -3.616 13.693 -14.460 1.00 0.00 C ATOM 638 O SER A 36 -3.828 13.954 -15.644 1.00 0.00 O ATOM 639 CB SER A 36 -2.835 15.867 -13.487 1.00 0.00 C ATOM 640 OG SER A 36 -3.399 17.017 -14.094 1.00 0.00 O ATOM 0 H SER A 36 -2.885 14.083 -11.640 1.00 0.00 H new ATOM 0 HA SER A 36 -4.867 15.148 -13.523 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.460 16.122 -12.496 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.982 15.524 -14.073 1.00 0.00 H new ATOM 0 HG SER A 36 -2.720 17.722 -14.154 1.00 0.00 H new ATOM 646 N GLU A 37 -3.162 12.508 -14.054 1.00 0.00 N ATOM 647 CA GLU A 37 -2.886 11.430 -14.998 1.00 0.00 C ATOM 648 C GLU A 37 -4.179 10.764 -15.459 1.00 0.00 C ATOM 649 O GLU A 37 -4.516 10.800 -16.643 1.00 0.00 O ATOM 650 CB GLU A 37 -1.963 10.390 -14.358 1.00 0.00 C ATOM 651 CG GLU A 37 -1.550 9.277 -15.308 1.00 0.00 C ATOM 652 CD GLU A 37 -0.444 9.699 -16.255 1.00 0.00 C ATOM 653 OE1 GLU A 37 -0.291 10.918 -16.484 1.00 0.00 O ATOM 654 OE2 GLU A 37 0.271 8.811 -16.766 1.00 0.00 O ATOM 0 H GLU A 37 -2.978 12.272 -13.079 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.391 11.860 -15.869 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.068 10.890 -13.986 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.465 9.952 -13.495 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.218 8.415 -14.729 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -2.417 8.958 -15.887 1.00 0.00 H new ATOM 661 N LEU A 38 -4.903 10.164 -14.519 1.00 0.00 N ATOM 662 CA LEU A 38 -6.166 9.502 -14.845 1.00 0.00 C ATOM 663 C LEU A 38 -7.217 10.535 -15.227 1.00 0.00 C ATOM 664 O LEU A 38 -7.915 10.393 -16.231 1.00 0.00 O ATOM 665 CB LEU A 38 -6.702 8.658 -13.676 1.00 0.00 C ATOM 666 CG LEU A 38 -5.677 8.163 -12.648 1.00 0.00 C ATOM 667 CD1 LEU A 38 -4.436 7.613 -13.323 1.00 0.00 C ATOM 668 CD2 LEU A 38 -5.312 9.269 -11.675 1.00 0.00 C ATOM 0 H LEU A 38 -4.642 10.121 -13.534 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.965 8.835 -15.683 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.453 9.247 -13.149 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.212 7.789 -14.091 1.00 0.00 H new ATOM 0 HG LEU A 38 -6.138 7.350 -12.088 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -3.731 7.271 -12.565 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.712 6.777 -13.966 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -3.972 8.395 -13.924 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.584 8.895 -10.955 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -4.883 10.108 -12.222 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -6.207 9.599 -11.147 1.00 0.00 H new ATOM 680 N GLY A 39 -7.325 11.574 -14.407 1.00 0.00 N ATOM 681 CA GLY A 39 -8.295 12.622 -14.654 1.00 0.00 C ATOM 682 C GLY A 39 -9.219 12.849 -13.471 1.00 0.00 C ATOM 683 O GLY A 39 -10.130 13.674 -13.539 1.00 0.00 O ATOM 0 H GLY A 39 -6.755 11.709 -13.572 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.772 13.550 -14.886 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.889 12.364 -15.531 1.00 0.00 H new ATOM 687 N LEU A 40 -8.988 12.116 -12.380 1.00 0.00 N ATOM 688 CA LEU A 40 -9.814 12.251 -11.186 1.00 0.00 C ATOM 689 C LEU A 40 -9.110 13.078 -10.112 1.00 0.00 C ATOM 690 O LEU A 40 -8.127 13.767 -10.383 1.00 0.00 O ATOM 691 CB LEU A 40 -10.212 10.876 -10.626 1.00 0.00 C ATOM 692 CG LEU A 40 -9.394 9.678 -11.098 1.00 0.00 C ATOM 693 CD1 LEU A 40 -8.002 9.693 -10.484 1.00 0.00 C ATOM 694 CD2 LEU A 40 -10.121 8.409 -10.713 1.00 0.00 C ATOM 0 H LEU A 40 -8.239 11.428 -12.302 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.722 12.778 -11.480 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.151 10.922 -9.539 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.257 10.695 -10.880 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.280 9.727 -12.181 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.439 8.829 -10.837 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.485 10.607 -10.777 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.083 9.655 -9.398 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.546 7.545 -11.045 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -10.239 8.372 -9.630 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -11.103 8.395 -11.186 1.00 0.00 H new ATOM 706 N ASN A 41 -9.636 13.008 -8.896 1.00 0.00 N ATOM 707 CA ASN A 41 -9.083 13.752 -7.766 1.00 0.00 C ATOM 708 C ASN A 41 -8.498 12.812 -6.716 1.00 0.00 C ATOM 709 O ASN A 41 -8.732 11.605 -6.748 1.00 0.00 O ATOM 710 CB ASN A 41 -10.159 14.634 -7.131 1.00 0.00 C ATOM 711 CG ASN A 41 -9.573 15.756 -6.297 1.00 0.00 C ATOM 712 OD1 ASN A 41 -8.918 16.658 -6.819 1.00 0.00 O ATOM 713 ND2 ASN A 41 -9.806 15.701 -4.991 1.00 0.00 N ATOM 0 H ASN A 41 -10.451 12.440 -8.664 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.279 14.383 -8.146 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -10.786 15.058 -7.915 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.805 14.019 -6.504 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -9.436 16.426 -4.376 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -10.355 14.934 -4.603 1.00 0.00 H new ATOM 720 N GLU A 42 -7.735 13.380 -5.785 1.00 0.00 N ATOM 721 CA GLU A 42 -7.104 12.605 -4.721 1.00 0.00 C ATOM 722 C GLU A 42 -8.122 11.750 -3.974 1.00 0.00 C ATOM 723 O GLU A 42 -7.785 10.695 -3.434 1.00 0.00 O ATOM 724 CB GLU A 42 -6.395 13.540 -3.739 1.00 0.00 C ATOM 725 CG GLU A 42 -5.255 14.327 -4.364 1.00 0.00 C ATOM 726 CD GLU A 42 -4.464 15.117 -3.339 1.00 0.00 C ATOM 727 OE1 GLU A 42 -4.991 15.348 -2.231 1.00 0.00 O ATOM 728 OE2 GLU A 42 -3.316 15.503 -3.645 1.00 0.00 O ATOM 0 H GLU A 42 -7.538 14.380 -5.747 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.375 11.939 -5.182 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.123 14.238 -3.325 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.007 12.953 -2.907 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.586 13.641 -4.884 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.657 15.010 -5.113 1.00 0.00 H new ATOM 735 N ALA A 43 -9.367 12.211 -3.943 1.00 0.00 N ATOM 736 CA ALA A 43 -10.433 11.487 -3.256 1.00 0.00 C ATOM 737 C ALA A 43 -10.684 10.135 -3.911 1.00 0.00 C ATOM 738 O ALA A 43 -10.739 9.108 -3.239 1.00 0.00 O ATOM 739 CB ALA A 43 -11.711 12.308 -3.249 1.00 0.00 C ATOM 0 H ALA A 43 -9.664 13.081 -4.384 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.116 11.316 -2.227 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -12.496 11.755 -2.733 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -11.534 13.252 -2.734 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -12.021 12.507 -4.275 1.00 0.00 H new ATOM 745 N GLN A 44 -10.823 10.150 -5.228 1.00 0.00 N ATOM 746 CA GLN A 44 -11.055 8.933 -5.994 1.00 0.00 C ATOM 747 C GLN A 44 -9.731 8.282 -6.360 1.00 0.00 C ATOM 748 O GLN A 44 -9.680 7.109 -6.731 1.00 0.00 O ATOM 749 CB GLN A 44 -11.869 9.228 -7.254 1.00 0.00 C ATOM 750 CG GLN A 44 -13.163 9.970 -6.968 1.00 0.00 C ATOM 751 CD GLN A 44 -13.114 11.434 -7.366 1.00 0.00 C ATOM 752 OE1 GLN A 44 -14.143 12.035 -7.674 1.00 0.00 O ATOM 753 NE2 GLN A 44 -11.921 12.021 -7.362 1.00 0.00 N ATOM 0 H GLN A 44 -10.779 10.998 -5.793 1.00 0.00 H new ATOM 0 HA GLN A 44 -11.627 8.243 -5.374 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -11.263 9.819 -7.941 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -12.099 8.290 -7.758 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.979 9.482 -7.501 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -13.389 9.897 -5.904 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -11.091 11.488 -7.100 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -11.835 13.004 -7.620 1.00 0.00 H new ATOM 762 N ILE A 45 -8.649 9.042 -6.220 1.00 0.00 N ATOM 763 CA ILE A 45 -7.323 8.534 -6.496 1.00 0.00 C ATOM 764 C ILE A 45 -7.055 7.359 -5.581 1.00 0.00 C ATOM 765 O ILE A 45 -6.829 6.240 -6.036 1.00 0.00 O ATOM 766 CB ILE A 45 -6.270 9.637 -6.276 1.00 0.00 C ATOM 767 CG1 ILE A 45 -6.271 10.612 -7.456 1.00 0.00 C ATOM 768 CG2 ILE A 45 -4.891 9.040 -6.076 1.00 0.00 C ATOM 769 CD1 ILE A 45 -5.374 10.189 -8.597 1.00 0.00 C ATOM 0 H ILE A 45 -8.672 10.015 -5.915 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.261 8.212 -7.536 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.531 10.185 -5.370 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.290 10.718 -7.827 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.957 11.594 -7.104 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.167 9.840 -5.923 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.900 8.387 -5.203 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.613 8.463 -6.958 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.427 10.929 -9.395 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.346 10.111 -8.242 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.701 9.221 -8.977 1.00 0.00 H new ATOM 781 N LYS A 46 -7.132 7.623 -4.285 1.00 0.00 N ATOM 782 CA LYS A 46 -6.942 6.587 -3.283 1.00 0.00 C ATOM 783 C LYS A 46 -7.942 5.453 -3.504 1.00 0.00 C ATOM 784 O LYS A 46 -7.774 4.349 -2.985 1.00 0.00 O ATOM 785 CB LYS A 46 -7.118 7.168 -1.878 1.00 0.00 C ATOM 786 CG LYS A 46 -8.350 8.046 -1.733 1.00 0.00 C ATOM 787 CD LYS A 46 -9.039 7.823 -0.396 1.00 0.00 C ATOM 788 CE LYS A 46 -9.985 8.964 -0.056 1.00 0.00 C ATOM 789 NZ LYS A 46 -9.688 9.551 1.280 1.00 0.00 N ATOM 0 H LYS A 46 -7.325 8.549 -3.903 1.00 0.00 H new ATOM 0 HA LYS A 46 -5.930 6.193 -3.378 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -7.179 6.350 -1.160 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -6.234 7.752 -1.622 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -8.064 9.094 -1.826 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -9.047 7.833 -2.543 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.594 6.885 -0.424 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -8.289 7.726 0.389 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.908 9.739 -0.819 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -11.013 8.601 -0.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -10.354 10.325 1.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -9.786 8.818 2.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -8.716 9.920 1.289 1.00 0.00 H new ATOM 803 N ILE A 47 -9.000 5.750 -4.262 1.00 0.00 N ATOM 804 CA ILE A 47 -10.054 4.783 -4.538 1.00 0.00 C ATOM 805 C ILE A 47 -9.693 3.775 -5.630 1.00 0.00 C ATOM 806 O ILE A 47 -9.922 2.579 -5.459 1.00 0.00 O ATOM 807 CB ILE A 47 -11.357 5.514 -4.934 1.00 0.00 C ATOM 808 CG1 ILE A 47 -12.272 5.647 -3.723 1.00 0.00 C ATOM 809 CG2 ILE A 47 -12.072 4.818 -6.086 1.00 0.00 C ATOM 810 CD1 ILE A 47 -11.790 6.690 -2.745 1.00 0.00 C ATOM 0 H ILE A 47 -9.146 6.661 -4.697 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.192 4.219 -3.616 1.00 0.00 H new ATOM 0 HB ILE A 47 -11.089 6.511 -5.283 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -13.277 5.905 -4.058 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -12.342 4.684 -3.217 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -12.982 5.364 -6.332 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -11.418 4.791 -6.957 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -12.328 3.800 -5.793 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -12.478 6.744 -1.902 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -10.797 6.421 -2.386 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -11.746 7.660 -3.240 1.00 0.00 H new ATOM 822 N TRP A 48 -9.183 4.238 -6.768 1.00 0.00 N ATOM 823 CA TRP A 48 -8.884 3.307 -7.849 1.00 0.00 C ATOM 824 C TRP A 48 -7.796 2.309 -7.465 1.00 0.00 C ATOM 825 O TRP A 48 -7.775 1.192 -7.985 1.00 0.00 O ATOM 826 CB TRP A 48 -8.571 4.010 -9.176 1.00 0.00 C ATOM 827 CG TRP A 48 -7.666 5.197 -9.098 1.00 0.00 C ATOM 828 CD1 TRP A 48 -8.020 6.502 -8.953 1.00 0.00 C ATOM 829 CD2 TRP A 48 -6.249 5.183 -9.220 1.00 0.00 C ATOM 830 NE1 TRP A 48 -6.902 7.295 -8.985 1.00 0.00 N ATOM 831 CE2 TRP A 48 -5.800 6.503 -9.134 1.00 0.00 C ATOM 832 CE3 TRP A 48 -5.327 4.172 -9.385 1.00 0.00 C ATOM 833 CZ2 TRP A 48 -4.454 6.833 -9.213 1.00 0.00 C ATOM 834 CZ3 TRP A 48 -3.989 4.487 -9.465 1.00 0.00 C ATOM 835 CH2 TRP A 48 -3.561 5.812 -9.379 1.00 0.00 C ATOM 0 H TRP A 48 -8.974 5.217 -6.962 1.00 0.00 H new ATOM 0 HA TRP A 48 -9.799 2.738 -8.014 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -8.123 3.282 -9.852 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -9.512 4.326 -9.626 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -9.031 6.860 -8.831 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.895 8.312 -8.910 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -5.651 3.144 -9.451 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -4.125 7.859 -9.146 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -3.262 3.699 -9.596 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.506 6.035 -9.445 1.00 0.00 H new ATOM 846 N PHE A 49 -6.921 2.672 -6.529 1.00 0.00 N ATOM 847 CA PHE A 49 -5.892 1.727 -6.085 1.00 0.00 C ATOM 848 C PHE A 49 -6.563 0.570 -5.371 1.00 0.00 C ATOM 849 O PHE A 49 -6.345 -0.596 -5.702 1.00 0.00 O ATOM 850 CB PHE A 49 -4.880 2.345 -5.119 1.00 0.00 C ATOM 851 CG PHE A 49 -4.331 3.665 -5.529 1.00 0.00 C ATOM 852 CD1 PHE A 49 -3.293 3.756 -6.436 1.00 0.00 C ATOM 853 CD2 PHE A 49 -4.838 4.815 -4.978 1.00 0.00 C ATOM 854 CE1 PHE A 49 -2.779 4.984 -6.790 1.00 0.00 C ATOM 855 CE2 PHE A 49 -4.333 6.044 -5.320 1.00 0.00 C ATOM 856 CZ PHE A 49 -3.302 6.135 -6.230 1.00 0.00 C ATOM 0 H PHE A 49 -6.899 3.584 -6.073 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.353 1.408 -6.977 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.354 2.455 -4.144 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.051 1.649 -4.994 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.881 2.857 -6.871 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.646 4.752 -4.265 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.970 5.048 -7.503 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.743 6.939 -4.876 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.904 7.101 -6.504 1.00 0.00 H new ATOM 866 N GLN A 50 -7.390 0.908 -4.379 1.00 0.00 N ATOM 867 CA GLN A 50 -8.102 -0.104 -3.609 1.00 0.00 C ATOM 868 C GLN A 50 -8.861 -1.041 -4.543 1.00 0.00 C ATOM 869 O GLN A 50 -9.104 -2.203 -4.216 1.00 0.00 O ATOM 870 CB GLN A 50 -9.057 0.548 -2.598 1.00 0.00 C ATOM 871 CG GLN A 50 -10.297 1.172 -3.218 1.00 0.00 C ATOM 872 CD GLN A 50 -11.555 0.885 -2.422 1.00 0.00 C ATOM 873 OE1 GLN A 50 -12.096 -0.221 -2.471 1.00 0.00 O ATOM 874 NE2 GLN A 50 -12.028 1.881 -1.682 1.00 0.00 N ATOM 0 H GLN A 50 -7.580 1.869 -4.094 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.371 -0.688 -3.050 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.367 -0.204 -1.873 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.515 1.317 -2.048 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -10.157 2.250 -3.293 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -10.420 0.795 -4.233 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -11.548 2.781 -1.671 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -12.871 1.746 -1.124 1.00 0.00 H new ATOM 883 N ASN A 51 -9.215 -0.528 -5.717 1.00 0.00 N ATOM 884 CA ASN A 51 -9.923 -1.313 -6.714 1.00 0.00 C ATOM 885 C ASN A 51 -8.928 -2.066 -7.588 1.00 0.00 C ATOM 886 O ASN A 51 -9.218 -3.155 -8.083 1.00 0.00 O ATOM 887 CB ASN A 51 -10.806 -0.410 -7.579 1.00 0.00 C ATOM 888 CG ASN A 51 -12.250 -0.401 -7.118 1.00 0.00 C ATOM 889 OD1 ASN A 51 -13.104 -1.074 -7.696 1.00 0.00 O ATOM 890 ND2 ASN A 51 -12.532 0.366 -6.071 1.00 0.00 N ATOM 0 H ASN A 51 -9.021 0.433 -5.999 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.561 -2.033 -6.201 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -10.414 0.607 -7.556 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.760 -0.746 -8.615 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -13.487 0.414 -5.716 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.793 0.907 -5.622 1.00 0.00 H new