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 Single : A 23 ASN : amide:sc= 0.348 X(o=0.35,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 GLN : amide:sc= -0.191 X(o=-0.19,f=0) USER MOD Single : A 33 GLN : amide:sc= -0.347 X(o=-0.35,f=0) USER MOD Single : A 35 SER OG : rot 123:sc= 0.416 USER MOD Single : A 36 SER OG : rot -13:sc= 0.744 USER MOD Single : A 41 ASN : amide:sc= -4.21 X(o=-4.2,f=-4.2!) USER MOD Single : A 44 GLN : amide:sc= -7.85! C(o=-7.8!,f=-1.8!) USER MOD Single : A 46 LYS NZ :NH3+ 155:sc= -0.24 (180deg=-1.1) USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN : amide:sc= -0.0744 X(o=-0.074,f=0) USER MOD ----------------------------------------------------------------- ATOM 392 N ASN A 23 2.835 3.855 0.468 1.00 0.00 N ATOM 393 CA ASN A 23 1.522 4.489 0.446 1.00 0.00 C ATOM 394 C ASN A 23 1.459 5.592 1.494 1.00 0.00 C ATOM 395 O ASN A 23 0.420 5.822 2.114 1.00 0.00 O ATOM 396 CB ASN A 23 0.428 3.454 0.715 1.00 0.00 C ATOM 397 CG ASN A 23 0.040 2.686 -0.533 1.00 0.00 C ATOM 398 OD1 ASN A 23 -1.128 2.348 -0.730 1.00 0.00 O ATOM 399 ND2 ASN A 23 1.019 2.406 -1.384 1.00 0.00 N ATOM 0 HA ASN A 23 1.360 4.923 -0.541 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.773 2.754 1.476 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -0.452 3.956 1.118 1.00 0.00 H new ATOM 0 HD21 ASN A 23 0.818 1.891 -2.241 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.973 2.705 -1.181 1.00 0.00 H new ATOM 406 N ARG A 24 2.593 6.243 1.709 1.00 0.00 N ATOM 407 CA ARG A 24 2.703 7.297 2.712 1.00 0.00 C ATOM 408 C ARG A 24 3.202 8.613 2.115 1.00 0.00 C ATOM 409 O ARG A 24 2.841 9.695 2.578 1.00 0.00 O ATOM 410 CB ARG A 24 3.668 6.822 3.803 1.00 0.00 C ATOM 411 CG ARG A 24 4.704 7.855 4.226 1.00 0.00 C ATOM 412 CD ARG A 24 5.397 7.453 5.518 1.00 0.00 C ATOM 413 NE ARG A 24 5.971 8.602 6.213 1.00 0.00 N ATOM 414 CZ ARG A 24 7.136 9.159 5.888 1.00 0.00 C ATOM 415 NH1 ARG A 24 7.851 8.678 4.879 1.00 0.00 N ATOM 416 NH2 ARG A 24 7.586 10.202 6.573 1.00 0.00 N ATOM 0 H ARG A 24 3.457 6.059 1.199 1.00 0.00 H new ATOM 0 HA ARG A 24 1.712 7.490 3.123 1.00 0.00 H new ATOM 0 HB2 ARG A 24 3.089 6.527 4.678 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.186 5.931 3.449 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.445 7.973 3.436 1.00 0.00 H new ATOM 0 HG3 ARG A 24 4.221 8.823 4.357 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.682 6.954 6.172 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.185 6.732 5.298 1.00 0.00 H new ATOM 0 HE ARG A 24 5.449 9.001 6.993 1.00 0.00 H new ATOM 0 HH11 ARG A 24 7.509 7.877 4.348 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.743 9.109 4.635 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.040 10.577 7.348 1.00 0.00 H new ATOM 0 HH22 ARG A 24 8.478 10.629 6.324 1.00 0.00 H new ATOM 430 N TYR A 25 4.060 8.505 1.116 1.00 0.00 N ATOM 431 CA TYR A 25 4.652 9.679 0.476 1.00 0.00 C ATOM 432 C TYR A 25 3.949 10.015 -0.840 1.00 0.00 C ATOM 433 O TYR A 25 3.749 11.182 -1.168 1.00 0.00 O ATOM 434 CB TYR A 25 6.126 9.409 0.201 1.00 0.00 C ATOM 435 CG TYR A 25 6.294 8.517 -0.992 1.00 0.00 C ATOM 436 CD1 TYR A 25 5.971 7.173 -0.914 1.00 0.00 C ATOM 437 CD2 TYR A 25 6.708 9.030 -2.208 1.00 0.00 C ATOM 438 CE1 TYR A 25 6.066 6.358 -2.015 1.00 0.00 C ATOM 439 CE2 TYR A 25 6.802 8.227 -3.322 1.00 0.00 C ATOM 440 CZ TYR A 25 6.479 6.887 -3.223 1.00 0.00 C ATOM 441 OH TYR A 25 6.570 6.076 -4.332 1.00 0.00 O ATOM 0 H TYR A 25 4.367 7.614 0.725 1.00 0.00 H new ATOM 0 HA TYR A 25 4.537 10.528 1.150 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.647 10.351 0.031 1.00 0.00 H new ATOM 0 HB3 TYR A 25 6.584 8.945 1.074 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.639 6.759 0.027 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.961 10.077 -2.285 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.819 5.309 -1.937 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.126 8.641 -4.266 1.00 0.00 H new ATOM 0 HH TYR A 25 6.874 6.604 -5.099 1.00 0.00 H new ATOM 451 N LEU A 26 3.581 8.975 -1.591 1.00 0.00 N ATOM 452 CA LEU A 26 2.903 9.140 -2.879 1.00 0.00 C ATOM 453 C LEU A 26 1.651 10.008 -2.742 1.00 0.00 C ATOM 454 O LEU A 26 1.049 10.412 -3.735 1.00 0.00 O ATOM 455 CB LEU A 26 2.525 7.768 -3.448 1.00 0.00 C ATOM 456 CG LEU A 26 1.333 7.080 -2.773 1.00 0.00 C ATOM 457 CD1 LEU A 26 1.210 5.641 -3.247 1.00 0.00 C ATOM 458 CD2 LEU A 26 1.465 7.133 -1.258 1.00 0.00 C ATOM 0 H LEU A 26 3.742 8.003 -1.327 1.00 0.00 H new ATOM 0 HA LEU A 26 3.590 9.642 -3.560 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.303 7.883 -4.509 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.392 7.111 -3.373 1.00 0.00 H new ATOM 0 HG LEU A 26 0.427 7.616 -3.055 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.359 5.168 -2.757 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.063 5.625 -4.327 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.121 5.096 -2.997 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.608 6.639 -0.801 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.381 6.626 -0.955 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.501 8.173 -0.932 1.00 0.00 H new ATOM 470 N THR A 27 1.280 10.286 -1.502 1.00 0.00 N ATOM 471 CA THR A 27 0.122 11.098 -1.188 1.00 0.00 C ATOM 472 C THR A 27 0.501 12.578 -1.221 1.00 0.00 C ATOM 473 O THR A 27 -0.358 13.456 -1.304 1.00 0.00 O ATOM 474 CB THR A 27 -0.411 10.688 0.188 1.00 0.00 C ATOM 475 OG1 THR A 27 0.175 11.471 1.214 1.00 0.00 O ATOM 476 CG2 THR A 27 -0.139 9.227 0.509 1.00 0.00 C ATOM 0 H THR A 27 1.781 9.950 -0.680 1.00 0.00 H new ATOM 0 HA THR A 27 -0.662 10.941 -1.928 1.00 0.00 H new ATOM 0 HB THR A 27 -1.488 10.849 0.146 1.00 0.00 H new ATOM 0 HG1 THR A 27 -0.182 11.192 2.083 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.538 8.991 1.496 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.620 8.595 -0.238 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.936 9.046 0.500 1.00 0.00 H new ATOM 484 N GLU A 28 1.808 12.834 -1.172 1.00 0.00 N ATOM 485 CA GLU A 28 2.347 14.186 -1.214 1.00 0.00 C ATOM 486 C GLU A 28 3.591 14.235 -2.106 1.00 0.00 C ATOM 487 O GLU A 28 4.356 15.199 -2.068 1.00 0.00 O ATOM 488 CB GLU A 28 2.699 14.659 0.197 1.00 0.00 C ATOM 489 CG GLU A 28 1.489 15.050 1.028 1.00 0.00 C ATOM 490 CD GLU A 28 0.981 16.440 0.701 1.00 0.00 C ATOM 491 OE1 GLU A 28 0.416 16.623 -0.398 1.00 0.00 O ATOM 492 OE2 GLU A 28 1.147 17.347 1.544 1.00 0.00 O ATOM 0 H GLU A 28 2.520 12.107 -1.102 1.00 0.00 H new ATOM 0 HA GLU A 28 1.588 14.849 -1.631 1.00 0.00 H new ATOM 0 HB2 GLU A 28 3.242 13.866 0.712 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.373 15.513 0.127 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.690 14.327 0.862 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.748 15.002 2.086 1.00 0.00 H new ATOM 499 N ARG A 29 3.783 13.187 -2.910 1.00 0.00 N ATOM 500 CA ARG A 29 4.926 13.104 -3.815 1.00 0.00 C ATOM 501 C ARG A 29 4.453 12.943 -5.253 1.00 0.00 C ATOM 502 O ARG A 29 4.912 13.647 -6.152 1.00 0.00 O ATOM 503 CB ARG A 29 5.833 11.933 -3.428 1.00 0.00 C ATOM 504 CG ARG A 29 7.293 12.330 -3.268 1.00 0.00 C ATOM 505 CD ARG A 29 8.225 11.357 -3.975 1.00 0.00 C ATOM 506 NE ARG A 29 9.015 12.010 -5.016 1.00 0.00 N ATOM 507 CZ ARG A 29 8.580 12.226 -6.256 1.00 0.00 C ATOM 508 NH1 ARG A 29 7.357 11.850 -6.613 1.00 0.00 N ATOM 509 NH2 ARG A 29 9.368 12.820 -7.140 1.00 0.00 N ATOM 0 H ARG A 29 3.158 12.382 -2.951 1.00 0.00 H new ATOM 0 HA ARG A 29 5.496 14.030 -3.733 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.477 11.500 -2.493 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.756 11.156 -4.189 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.443 13.333 -3.669 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.545 12.369 -2.208 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.894 10.901 -3.245 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.639 10.551 -4.417 1.00 0.00 H new ATOM 0 HE ARG A 29 9.957 12.319 -4.779 1.00 0.00 H new ATOM 0 HH11 ARG A 29 6.746 11.393 -5.936 1.00 0.00 H new ATOM 0 HH12 ARG A 29 7.029 12.018 -7.564 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.308 13.112 -6.871 1.00 0.00 H new ATOM 0 HH22 ARG A 29 9.035 12.986 -8.090 1.00 0.00 H new ATOM 523 N ARG A 30 3.526 12.014 -5.459 1.00 0.00 N ATOM 524 CA ARG A 30 2.980 11.761 -6.786 1.00 0.00 C ATOM 525 C ARG A 30 1.452 11.840 -6.778 1.00 0.00 C ATOM 526 O ARG A 30 0.808 11.615 -7.803 1.00 0.00 O ATOM 527 CB ARG A 30 3.436 10.394 -7.297 1.00 0.00 C ATOM 528 CG ARG A 30 2.910 9.230 -6.477 1.00 0.00 C ATOM 529 CD ARG A 30 1.657 8.635 -7.099 1.00 0.00 C ATOM 530 NE ARG A 30 1.910 8.107 -8.439 1.00 0.00 N ATOM 531 CZ ARG A 30 2.501 6.938 -8.676 1.00 0.00 C ATOM 532 NH1 ARG A 30 2.906 6.174 -7.671 1.00 0.00 N ATOM 533 NH2 ARG A 30 2.686 6.533 -9.926 1.00 0.00 N ATOM 0 H ARG A 30 3.137 11.424 -4.723 1.00 0.00 H new ATOM 0 HA ARG A 30 3.356 12.533 -7.457 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.111 10.275 -8.331 1.00 0.00 H new ATOM 0 HB3 ARG A 30 4.526 10.362 -7.300 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.679 8.462 -6.398 1.00 0.00 H new ATOM 0 HG3 ARG A 30 2.691 9.566 -5.464 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.279 7.837 -6.460 1.00 0.00 H new ATOM 0 HD3 ARG A 30 0.880 9.398 -7.150 1.00 0.00 H new ATOM 0 HE ARG A 30 1.616 8.667 -9.239 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.765 6.481 -6.708 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.358 5.279 -7.860 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.376 7.117 -10.703 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.139 5.638 -10.110 1.00 0.00 H new ATOM 547 N ARG A 31 0.875 12.171 -5.622 1.00 0.00 N ATOM 548 CA ARG A 31 -0.574 12.290 -5.498 1.00 0.00 C ATOM 549 C ARG A 31 -1.109 13.361 -6.437 1.00 0.00 C ATOM 550 O ARG A 31 -2.287 13.361 -6.792 1.00 0.00 O ATOM 551 CB ARG A 31 -0.959 12.633 -4.060 1.00 0.00 C ATOM 552 CG ARG A 31 -2.456 12.578 -3.802 1.00 0.00 C ATOM 553 CD ARG A 31 -2.899 13.665 -2.834 1.00 0.00 C ATOM 554 NE ARG A 31 -3.917 14.536 -3.417 1.00 0.00 N ATOM 555 CZ ARG A 31 -3.644 15.568 -4.213 1.00 0.00 C ATOM 556 NH1 ARG A 31 -2.388 15.860 -4.529 1.00 0.00 N ATOM 557 NH2 ARG A 31 -4.631 16.311 -4.696 1.00 0.00 N ATOM 0 H ARG A 31 1.389 12.361 -4.762 1.00 0.00 H new ATOM 0 HA ARG A 31 -1.015 11.331 -5.769 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.456 11.942 -3.383 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.594 13.633 -3.823 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.992 12.689 -4.744 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.720 11.601 -3.398 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -3.292 13.205 -1.927 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.036 14.262 -2.540 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.895 14.342 -3.201 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -1.624 15.292 -4.161 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -2.187 16.652 -5.139 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -5.598 16.092 -4.458 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.423 17.102 -5.306 1.00 0.00 H new ATOM 571 N GLN A 32 -0.229 14.269 -6.848 1.00 0.00 N ATOM 572 CA GLN A 32 -0.613 15.339 -7.759 1.00 0.00 C ATOM 573 C GLN A 32 -0.449 14.863 -9.191 1.00 0.00 C ATOM 574 O GLN A 32 -1.210 15.242 -10.081 1.00 0.00 O ATOM 575 CB GLN A 32 0.236 16.588 -7.514 1.00 0.00 C ATOM 576 CG GLN A 32 1.721 16.366 -7.743 1.00 0.00 C ATOM 577 CD GLN A 32 2.548 17.604 -7.452 1.00 0.00 C ATOM 578 OE1 GLN A 32 3.353 18.035 -8.277 1.00 0.00 O ATOM 579 NE2 GLN A 32 2.351 18.183 -6.274 1.00 0.00 N ATOM 0 H GLN A 32 0.751 14.284 -6.565 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.656 15.600 -7.581 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.109 17.387 -8.170 1.00 0.00 H new ATOM 0 HB3 GLN A 32 0.081 16.928 -6.490 1.00 0.00 H new ATOM 0 HG2 GLN A 32 2.064 15.548 -7.110 1.00 0.00 H new ATOM 0 HG3 GLN A 32 1.884 16.060 -8.776 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.673 17.791 -5.620 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.878 19.020 -6.023 1.00 0.00 H new ATOM 588 N GLN A 33 0.545 14.010 -9.394 1.00 0.00 N ATOM 589 CA GLN A 33 0.816 13.447 -10.702 1.00 0.00 C ATOM 590 C GLN A 33 -0.306 12.508 -11.101 1.00 0.00 C ATOM 591 O GLN A 33 -0.692 12.437 -12.268 1.00 0.00 O ATOM 592 CB GLN A 33 2.140 12.689 -10.679 1.00 0.00 C ATOM 593 CG GLN A 33 2.888 12.746 -11.992 1.00 0.00 C ATOM 594 CD GLN A 33 2.888 11.417 -12.727 1.00 0.00 C ATOM 595 OE1 GLN A 33 3.940 10.813 -12.939 1.00 0.00 O ATOM 596 NE2 GLN A 33 1.705 10.952 -13.123 1.00 0.00 N ATOM 0 H GLN A 33 1.180 13.693 -8.661 1.00 0.00 H new ATOM 0 HA GLN A 33 0.882 14.256 -11.430 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.772 13.100 -9.891 1.00 0.00 H new ATOM 0 HB3 GLN A 33 1.949 11.647 -10.423 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.438 13.508 -12.628 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.917 13.053 -11.806 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.857 11.483 -12.927 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.647 10.064 -13.622 1.00 0.00 H new ATOM 605 N LEU A 34 -0.834 11.797 -10.115 1.00 0.00 N ATOM 606 CA LEU A 34 -1.920 10.865 -10.346 1.00 0.00 C ATOM 607 C LEU A 34 -3.172 11.622 -10.742 1.00 0.00 C ATOM 608 O LEU A 34 -3.712 11.440 -11.831 1.00 0.00 O ATOM 609 CB LEU A 34 -2.188 10.049 -9.082 1.00 0.00 C ATOM 610 CG LEU A 34 -1.372 8.767 -8.960 1.00 0.00 C ATOM 611 CD1 LEU A 34 -1.493 8.191 -7.554 1.00 0.00 C ATOM 612 CD2 LEU A 34 -1.826 7.762 -10.009 1.00 0.00 C ATOM 0 H LEU A 34 -0.524 11.851 -9.145 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.639 10.188 -11.153 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.986 10.675 -8.213 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -3.247 9.793 -9.050 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.321 8.994 -9.136 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.905 7.276 -7.484 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -1.123 8.917 -6.830 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -2.538 7.967 -7.341 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.239 6.849 -9.916 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.881 7.532 -9.860 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.684 8.185 -11.004 1.00 0.00 H new ATOM 624 N SER A 35 -3.622 12.483 -9.842 1.00 0.00 N ATOM 625 CA SER A 35 -4.811 13.284 -10.079 1.00 0.00 C ATOM 626 C SER A 35 -4.743 13.997 -11.430 1.00 0.00 C ATOM 627 O SER A 35 -5.772 14.341 -12.011 1.00 0.00 O ATOM 628 CB SER A 35 -4.983 14.309 -8.956 1.00 0.00 C ATOM 629 OG SER A 35 -5.944 15.290 -9.303 1.00 0.00 O ATOM 0 H SER A 35 -3.179 12.645 -8.938 1.00 0.00 H new ATOM 0 HA SER A 35 -5.671 12.614 -10.094 1.00 0.00 H new ATOM 0 HB2 SER A 35 -5.290 13.802 -8.041 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.027 14.790 -8.749 1.00 0.00 H new ATOM 0 HG SER A 35 -6.656 15.303 -8.630 1.00 0.00 H new ATOM 635 N SER A 36 -3.526 14.225 -11.923 1.00 0.00 N ATOM 636 CA SER A 36 -3.336 14.905 -13.199 1.00 0.00 C ATOM 637 C SER A 36 -3.235 13.913 -14.358 1.00 0.00 C ATOM 638 O SER A 36 -3.671 14.205 -15.471 1.00 0.00 O ATOM 639 CB SER A 36 -2.077 15.774 -13.152 1.00 0.00 C ATOM 640 OG SER A 36 -0.914 14.980 -12.995 1.00 0.00 O ATOM 0 H SER A 36 -2.661 13.949 -11.458 1.00 0.00 H new ATOM 0 HA SER A 36 -4.209 15.535 -13.369 1.00 0.00 H new ATOM 0 HB2 SER A 36 -2.001 16.359 -14.069 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.151 16.483 -12.327 1.00 0.00 H new ATOM 0 HG SER A 36 -1.172 14.068 -12.745 1.00 0.00 H new ATOM 646 N GLU A 37 -2.653 12.746 -14.096 1.00 0.00 N ATOM 647 CA GLU A 37 -2.494 11.728 -15.132 1.00 0.00 C ATOM 648 C GLU A 37 -3.544 10.627 -15.004 1.00 0.00 C ATOM 649 O GLU A 37 -3.336 9.503 -15.463 1.00 0.00 O ATOM 650 CB GLU A 37 -1.089 11.124 -15.071 1.00 0.00 C ATOM 651 CG GLU A 37 -0.343 11.190 -16.394 1.00 0.00 C ATOM 652 CD GLU A 37 0.734 10.128 -16.511 1.00 0.00 C ATOM 653 OE1 GLU A 37 0.543 9.025 -15.958 1.00 0.00 O ATOM 654 OE2 GLU A 37 1.770 10.402 -17.154 1.00 0.00 O ATOM 0 H GLU A 37 -2.286 12.482 -13.182 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.635 12.214 -16.098 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.510 11.647 -14.310 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.163 10.083 -14.756 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.053 11.074 -17.213 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.110 12.175 -16.502 1.00 0.00 H new ATOM 661 N LEU A 38 -4.673 10.956 -14.387 1.00 0.00 N ATOM 662 CA LEU A 38 -5.758 9.994 -14.209 1.00 0.00 C ATOM 663 C LEU A 38 -7.072 10.574 -14.710 1.00 0.00 C ATOM 664 O LEU A 38 -7.772 9.965 -15.520 1.00 0.00 O ATOM 665 CB LEU A 38 -5.919 9.623 -12.730 1.00 0.00 C ATOM 666 CG LEU A 38 -5.123 8.408 -12.250 1.00 0.00 C ATOM 667 CD1 LEU A 38 -5.275 7.241 -13.203 1.00 0.00 C ATOM 668 CD2 LEU A 38 -3.661 8.763 -12.075 1.00 0.00 C ATOM 0 H LEU A 38 -4.862 11.881 -14.001 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.505 9.102 -14.783 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.629 10.483 -12.127 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.976 9.439 -12.535 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.526 8.107 -11.283 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.698 6.393 -12.835 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.326 6.962 -13.272 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -4.910 7.527 -14.190 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.112 7.886 -11.733 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.252 9.099 -13.028 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.566 9.560 -11.338 1.00 0.00 H new ATOM 680 N GLY A 39 -7.406 11.750 -14.195 1.00 0.00 N ATOM 681 CA GLY A 39 -8.644 12.406 -14.561 1.00 0.00 C ATOM 682 C GLY A 39 -9.538 12.625 -13.354 1.00 0.00 C ATOM 683 O GLY A 39 -10.606 13.227 -13.465 1.00 0.00 O ATOM 0 H GLY A 39 -6.835 12.264 -13.524 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.424 13.365 -15.030 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.171 11.803 -15.300 1.00 0.00 H new ATOM 687 N LEU A 40 -9.096 12.132 -12.196 1.00 0.00 N ATOM 688 CA LEU A 40 -9.855 12.273 -10.961 1.00 0.00 C ATOM 689 C LEU A 40 -9.395 13.484 -10.168 1.00 0.00 C ATOM 690 O LEU A 40 -8.768 14.399 -10.701 1.00 0.00 O ATOM 691 CB LEU A 40 -9.735 11.023 -10.082 1.00 0.00 C ATOM 692 CG LEU A 40 -9.056 9.807 -10.705 1.00 0.00 C ATOM 693 CD1 LEU A 40 -7.610 9.709 -10.236 1.00 0.00 C ATOM 694 CD2 LEU A 40 -9.823 8.565 -10.317 1.00 0.00 C ATOM 0 H LEU A 40 -8.214 11.631 -12.092 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.898 12.406 -11.247 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.186 11.293 -9.180 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.737 10.730 -9.770 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.052 9.907 -11.790 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.139 8.837 -10.689 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.070 10.608 -10.532 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.585 9.612 -9.151 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -9.345 7.690 -10.758 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.831 8.466 -9.232 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.847 8.641 -10.681 1.00 0.00 H new ATOM 706 N ASN A 41 -9.714 13.468 -8.882 1.00 0.00 N ATOM 707 CA ASN A 41 -9.341 14.556 -7.987 1.00 0.00 C ATOM 708 C ASN A 41 -8.404 14.060 -6.887 1.00 0.00 C ATOM 709 O ASN A 41 -7.188 14.221 -6.976 1.00 0.00 O ATOM 710 CB ASN A 41 -10.594 15.202 -7.387 1.00 0.00 C ATOM 711 CG ASN A 41 -10.276 16.253 -6.343 1.00 0.00 C ATOM 712 OD1 ASN A 41 -9.320 17.016 -6.483 1.00 0.00 O ATOM 713 ND2 ASN A 41 -11.081 16.298 -5.287 1.00 0.00 N ATOM 0 H ASN A 41 -10.231 12.712 -8.433 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.806 15.310 -8.565 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -11.180 15.657 -8.186 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -11.216 14.428 -6.937 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -10.918 16.985 -4.551 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -11.862 15.646 -5.213 1.00 0.00 H new ATOM 720 N GLU A 42 -8.976 13.453 -5.859 1.00 0.00 N ATOM 721 CA GLU A 42 -8.197 12.925 -4.744 1.00 0.00 C ATOM 722 C GLU A 42 -9.014 11.885 -3.989 1.00 0.00 C ATOM 723 O GLU A 42 -8.513 10.817 -3.641 1.00 0.00 O ATOM 724 CB GLU A 42 -7.756 14.047 -3.794 1.00 0.00 C ATOM 725 CG GLU A 42 -8.510 15.354 -3.986 1.00 0.00 C ATOM 726 CD GLU A 42 -8.152 16.393 -2.941 1.00 0.00 C ATOM 727 OE1 GLU A 42 -7.022 16.922 -2.994 1.00 0.00 O ATOM 728 OE2 GLU A 42 -9.001 16.679 -2.072 1.00 0.00 O ATOM 0 H GLU A 42 -9.982 13.312 -5.771 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.299 12.455 -5.146 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -7.889 13.711 -2.766 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -6.691 14.230 -3.935 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.293 15.752 -4.977 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.582 15.160 -3.948 1.00 0.00 H new ATOM 735 N ALA A 43 -10.287 12.196 -3.760 1.00 0.00 N ATOM 736 CA ALA A 43 -11.180 11.274 -3.075 1.00 0.00 C ATOM 737 C ALA A 43 -11.437 10.044 -3.938 1.00 0.00 C ATOM 738 O ALA A 43 -11.954 9.038 -3.460 1.00 0.00 O ATOM 739 CB ALA A 43 -12.493 11.953 -2.731 1.00 0.00 C ATOM 0 H ALA A 43 -10.720 13.077 -4.039 1.00 0.00 H new ATOM 0 HA ALA A 43 -10.700 10.960 -2.148 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -13.145 11.245 -2.219 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -12.302 12.806 -2.080 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -12.976 12.296 -3.646 1.00 0.00 H new ATOM 745 N GLN A 44 -11.053 10.131 -5.209 1.00 0.00 N ATOM 746 CA GLN A 44 -11.215 9.024 -6.141 1.00 0.00 C ATOM 747 C GLN A 44 -9.875 8.331 -6.329 1.00 0.00 C ATOM 748 O GLN A 44 -9.806 7.186 -6.771 1.00 0.00 O ATOM 749 CB GLN A 44 -11.737 9.512 -7.497 1.00 0.00 C ATOM 750 CG GLN A 44 -13.072 10.243 -7.427 1.00 0.00 C ATOM 751 CD GLN A 44 -13.017 11.519 -6.606 1.00 0.00 C ATOM 752 OE1 GLN A 44 -14.013 11.923 -6.008 1.00 0.00 O ATOM 753 NE2 GLN A 44 -11.854 12.161 -6.569 1.00 0.00 N ATOM 0 H GLN A 44 -10.625 10.963 -5.617 1.00 0.00 H new ATOM 0 HA GLN A 44 -11.945 8.327 -5.729 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.995 10.176 -7.942 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.839 8.656 -8.164 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.400 10.484 -8.438 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -13.821 9.576 -7.000 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -11.051 11.792 -7.079 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -11.764 13.022 -6.030 1.00 0.00 H new ATOM 762 N ILE A 45 -8.812 9.042 -5.966 1.00 0.00 N ATOM 763 CA ILE A 45 -7.470 8.520 -6.063 1.00 0.00 C ATOM 764 C ILE A 45 -7.338 7.307 -5.165 1.00 0.00 C ATOM 765 O ILE A 45 -7.077 6.200 -5.632 1.00 0.00 O ATOM 766 CB ILE A 45 -6.443 9.604 -5.673 1.00 0.00 C ATOM 767 CG1 ILE A 45 -6.339 10.656 -6.780 1.00 0.00 C ATOM 768 CG2 ILE A 45 -5.085 8.996 -5.389 1.00 0.00 C ATOM 769 CD1 ILE A 45 -5.373 10.284 -7.885 1.00 0.00 C ATOM 0 H ILE A 45 -8.865 9.992 -5.599 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.270 8.223 -7.092 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.790 10.087 -4.759 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.327 10.815 -7.212 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.027 11.603 -6.340 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.383 9.784 -5.117 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.169 8.286 -4.567 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.724 8.480 -6.279 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -5.353 11.077 -8.633 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.375 10.154 -7.467 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.695 9.353 -8.352 1.00 0.00 H new ATOM 781 N LYS A 46 -7.563 7.520 -3.876 1.00 0.00 N ATOM 782 CA LYS A 46 -7.506 6.436 -2.904 1.00 0.00 C ATOM 783 C LYS A 46 -8.456 5.310 -3.312 1.00 0.00 C ATOM 784 O LYS A 46 -8.339 4.178 -2.842 1.00 0.00 O ATOM 785 CB LYS A 46 -7.879 6.950 -1.512 1.00 0.00 C ATOM 786 CG LYS A 46 -7.224 8.276 -1.155 1.00 0.00 C ATOM 787 CD LYS A 46 -8.261 9.347 -0.854 1.00 0.00 C ATOM 788 CE LYS A 46 -8.871 9.164 0.526 1.00 0.00 C ATOM 789 NZ LYS A 46 -7.839 8.872 1.559 1.00 0.00 N ATOM 0 H LYS A 46 -7.787 8.433 -3.479 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.487 6.049 -2.877 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.962 7.062 -1.454 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.595 6.203 -0.770 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -6.576 8.141 -0.289 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.590 8.603 -1.979 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -7.798 10.331 -0.920 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.048 9.314 -1.607 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -9.416 10.066 0.804 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.595 8.350 0.497 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -8.190 9.165 2.493 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.637 7.852 1.569 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.968 9.395 1.337 1.00 0.00 H new ATOM 803 N ILE A 47 -9.417 5.651 -4.169 1.00 0.00 N ATOM 804 CA ILE A 47 -10.425 4.707 -4.633 1.00 0.00 C ATOM 805 C ILE A 47 -9.924 3.746 -5.710 1.00 0.00 C ATOM 806 O ILE A 47 -10.200 2.548 -5.639 1.00 0.00 O ATOM 807 CB ILE A 47 -11.657 5.478 -5.166 1.00 0.00 C ATOM 808 CG1 ILE A 47 -12.735 5.539 -4.092 1.00 0.00 C ATOM 809 CG2 ILE A 47 -12.201 4.875 -6.455 1.00 0.00 C ATOM 810 CD1 ILE A 47 -12.362 6.462 -2.960 1.00 0.00 C ATOM 0 H ILE A 47 -9.516 6.588 -4.559 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.690 4.096 -3.770 1.00 0.00 H new ATOM 0 HB ILE A 47 -11.338 6.492 -5.408 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -13.671 5.875 -4.538 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -12.910 4.538 -3.699 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -13.064 5.450 -6.790 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -11.428 4.901 -7.223 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -12.500 3.842 -6.276 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -13.162 6.472 -2.220 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -11.441 6.112 -2.494 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -12.213 7.470 -3.347 1.00 0.00 H new ATOM 822 N TRP A 48 -9.240 4.252 -6.731 1.00 0.00 N ATOM 823 CA TRP A 48 -8.797 3.374 -7.805 1.00 0.00 C ATOM 824 C TRP A 48 -7.727 2.385 -7.345 1.00 0.00 C ATOM 825 O TRP A 48 -7.663 1.273 -7.869 1.00 0.00 O ATOM 826 CB TRP A 48 -8.364 4.144 -9.055 1.00 0.00 C ATOM 827 CG TRP A 48 -7.455 5.304 -8.820 1.00 0.00 C ATOM 828 CD1 TRP A 48 -7.800 6.610 -8.687 1.00 0.00 C ATOM 829 CD2 TRP A 48 -6.040 5.259 -8.728 1.00 0.00 C ATOM 830 NE1 TRP A 48 -6.679 7.376 -8.537 1.00 0.00 N ATOM 831 CE2 TRP A 48 -5.585 6.566 -8.544 1.00 0.00 C ATOM 832 CE3 TRP A 48 -5.125 4.231 -8.782 1.00 0.00 C ATOM 833 CZ2 TRP A 48 -4.238 6.867 -8.416 1.00 0.00 C ATOM 834 CZ3 TRP A 48 -3.786 4.516 -8.654 1.00 0.00 C ATOM 835 CH2 TRP A 48 -3.351 5.826 -8.472 1.00 0.00 C ATOM 0 H TRP A 48 -8.987 5.234 -6.837 1.00 0.00 H new ATOM 0 HA TRP A 48 -9.669 2.785 -8.090 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -7.868 3.449 -9.733 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -9.258 4.504 -9.565 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -8.812 6.988 -8.698 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -6.664 8.391 -8.436 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -5.456 3.213 -8.923 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -3.901 7.884 -8.277 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -3.063 3.714 -8.695 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.294 6.025 -8.373 1.00 0.00 H new ATOM 846 N PHE A 49 -6.918 2.742 -6.344 1.00 0.00 N ATOM 847 CA PHE A 49 -5.923 1.786 -5.848 1.00 0.00 C ATOM 848 C PHE A 49 -6.661 0.582 -5.299 1.00 0.00 C ATOM 849 O PHE A 49 -6.295 -0.565 -5.554 1.00 0.00 O ATOM 850 CB PHE A 49 -5.038 2.341 -4.727 1.00 0.00 C ATOM 851 CG PHE A 49 -4.507 3.713 -4.946 1.00 0.00 C ATOM 852 CD1 PHE A 49 -3.340 3.921 -5.656 1.00 0.00 C ATOM 853 CD2 PHE A 49 -5.163 4.792 -4.409 1.00 0.00 C ATOM 854 CE1 PHE A 49 -2.840 5.194 -5.826 1.00 0.00 C ATOM 855 CE2 PHE A 49 -4.676 6.066 -4.576 1.00 0.00 C ATOM 856 CZ PHE A 49 -3.512 6.273 -5.284 1.00 0.00 C ATOM 0 H PHE A 49 -6.928 3.648 -5.876 1.00 0.00 H new ATOM 0 HA PHE A 49 -5.270 1.542 -6.686 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.611 2.337 -3.800 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -4.196 1.664 -4.584 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.815 3.079 -6.082 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -6.073 4.638 -3.848 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.926 5.348 -6.381 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.206 6.906 -4.152 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.127 7.274 -5.415 1.00 0.00 H new ATOM 866 N GLN A 50 -7.726 0.866 -4.548 1.00 0.00 N ATOM 867 CA GLN A 50 -8.549 -0.182 -3.962 1.00 0.00 C ATOM 868 C GLN A 50 -8.943 -1.186 -5.023 1.00 0.00 C ATOM 869 O GLN A 50 -9.059 -2.382 -4.759 1.00 0.00 O ATOM 870 CB GLN A 50 -9.807 0.414 -3.331 1.00 0.00 C ATOM 871 CG GLN A 50 -9.620 0.813 -1.885 1.00 0.00 C ATOM 872 CD GLN A 50 -10.890 1.351 -1.256 1.00 0.00 C ATOM 873 OE1 GLN A 50 -11.798 0.592 -0.917 1.00 0.00 O ATOM 874 NE2 GLN A 50 -10.960 2.668 -1.096 1.00 0.00 N ATOM 0 H GLN A 50 -8.035 1.814 -4.334 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.968 -0.682 -3.187 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -10.114 1.288 -3.905 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.617 -0.312 -3.398 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.276 -0.051 -1.316 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -8.839 1.570 -1.820 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -10.183 3.260 -1.391 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -11.790 3.087 -0.678 1.00 0.00 H new ATOM 883 N ASN A 51 -9.139 -0.684 -6.232 1.00 0.00 N ATOM 884 CA ASN A 51 -9.511 -1.534 -7.342 1.00 0.00 C ATOM 885 C ASN A 51 -8.267 -2.166 -7.957 1.00 0.00 C ATOM 886 O ASN A 51 -8.320 -3.278 -8.483 1.00 0.00 O ATOM 887 CB ASN A 51 -10.278 -0.736 -8.399 1.00 0.00 C ATOM 888 CG ASN A 51 -11.708 -0.454 -7.983 1.00 0.00 C ATOM 889 OD1 ASN A 51 -12.545 -1.356 -7.941 1.00 0.00 O ATOM 890 ND2 ASN A 51 -11.996 0.805 -7.672 1.00 0.00 N ATOM 0 H ASN A 51 -9.046 0.305 -6.465 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.162 -2.325 -6.970 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -9.763 0.207 -8.583 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -10.278 -1.288 -9.339 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -12.942 1.056 -7.384 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.271 1.521 -7.721 1.00 0.00 H new