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= -1.81! C(o=-11!,f=-13!) USER MOD Set 1.2: A 44 GLN : amide:sc= -9.69! K(o=-11!,f=-2.1) USER MOD Single : A 23 ASN : amide:sc= 0.189 K(o=0.19,f=-0.81) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -101:sc= 0.283 USER MOD Single : A 32 GLN : amide:sc= -0.0421 X(o=-0.042,f=0) USER MOD Single : A 33 GLN : amide:sc= -0.958 K(o=-0.96,f=0) USER MOD Single : A 35 SER OG : rot -4:sc= -0.546! USER MOD Single : A 36 SER OG : rot 94:sc= 1.28 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= -0.017 X(o=-0.017,f=0) USER MOD ----------------------------------------------------------------- ATOM 392 N ASN A 23 2.601 3.944 0.365 1.00 0.00 N ATOM 393 CA ASN A 23 1.270 4.536 0.255 1.00 0.00 C ATOM 394 C ASN A 23 1.044 5.563 1.356 1.00 0.00 C ATOM 395 O ASN A 23 -0.069 5.718 1.861 1.00 0.00 O ATOM 396 CB ASN A 23 0.184 3.456 0.299 1.00 0.00 C ATOM 397 CG ASN A 23 0.161 2.667 1.589 1.00 0.00 C ATOM 398 OD1 ASN A 23 0.483 1.479 1.598 1.00 0.00 O ATOM 399 ND2 ASN A 23 -0.243 3.307 2.680 1.00 0.00 N ATOM 0 HA ASN A 23 1.207 5.043 -0.708 1.00 0.00 H new ATOM 0 HB2 ASN A 23 -0.789 3.926 0.154 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.334 2.769 -0.534 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.296 2.813 3.571 1.00 0.00 H new ATOM 0 HD22 ASN A 23 -0.501 4.293 2.627 1.00 0.00 H new ATOM 406 N ARG A 24 2.111 6.258 1.727 1.00 0.00 N ATOM 407 CA ARG A 24 2.045 7.268 2.776 1.00 0.00 C ATOM 408 C ARG A 24 2.628 8.598 2.300 1.00 0.00 C ATOM 409 O ARG A 24 2.152 9.669 2.677 1.00 0.00 O ATOM 410 CB ARG A 24 2.806 6.767 4.013 1.00 0.00 C ATOM 411 CG ARG A 24 3.685 7.817 4.684 1.00 0.00 C ATOM 412 CD ARG A 24 3.919 7.500 6.153 1.00 0.00 C ATOM 413 NE ARG A 24 3.517 8.603 7.021 1.00 0.00 N ATOM 414 CZ ARG A 24 4.253 9.693 7.223 1.00 0.00 C ATOM 415 NH1 ARG A 24 5.429 9.830 6.623 1.00 0.00 N ATOM 416 NH2 ARG A 24 3.813 10.650 8.029 1.00 0.00 N ATOM 0 H ARG A 24 3.037 6.140 1.315 1.00 0.00 H new ATOM 0 HA ARG A 24 0.999 7.437 3.032 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.085 6.396 4.741 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.430 5.922 3.722 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.643 7.874 4.167 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.215 8.796 4.593 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.361 6.604 6.424 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.974 7.279 6.313 1.00 0.00 H new ATOM 0 HE ARG A 24 2.619 8.534 7.501 1.00 0.00 H new ATOM 0 HH11 ARG A 24 5.774 9.097 6.003 1.00 0.00 H new ATOM 0 HH12 ARG A 24 5.988 10.668 6.782 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.911 10.550 8.494 1.00 0.00 H new ATOM 0 HH22 ARG A 24 4.377 11.486 8.184 1.00 0.00 H new ATOM 430 N TYR A 25 3.675 8.515 1.493 1.00 0.00 N ATOM 431 CA TYR A 25 4.350 9.704 0.986 1.00 0.00 C ATOM 432 C TYR A 25 3.862 10.079 -0.415 1.00 0.00 C ATOM 433 O TYR A 25 3.578 11.244 -0.681 1.00 0.00 O ATOM 434 CB TYR A 25 5.855 9.459 0.959 1.00 0.00 C ATOM 435 CG TYR A 25 6.247 8.544 -0.162 1.00 0.00 C ATOM 436 CD1 TYR A 25 6.099 7.170 -0.043 1.00 0.00 C ATOM 437 CD2 TYR A 25 6.714 9.059 -1.358 1.00 0.00 C ATOM 438 CE1 TYR A 25 6.421 6.333 -1.085 1.00 0.00 C ATOM 439 CE2 TYR A 25 7.034 8.233 -2.411 1.00 0.00 C ATOM 440 CZ TYR A 25 6.887 6.867 -2.273 1.00 0.00 C ATOM 441 OH TYR A 25 7.204 6.033 -3.321 1.00 0.00 O ATOM 0 H TYR A 25 4.078 7.634 1.173 1.00 0.00 H new ATOM 0 HA TYR A 25 4.117 10.535 1.652 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.377 10.410 0.852 1.00 0.00 H new ATOM 0 HB3 TYR A 25 6.171 9.027 1.909 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.726 6.752 0.880 1.00 0.00 H new ATOM 0 HD2 TYR A 25 6.829 10.127 -1.467 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.311 5.264 -0.977 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.397 8.650 -3.339 1.00 0.00 H new ATOM 0 HH TYR A 25 7.515 6.567 -4.082 1.00 0.00 H new ATOM 451 N LEU A 26 3.769 9.089 -1.311 1.00 0.00 N ATOM 452 CA LEU A 26 3.309 9.340 -2.680 1.00 0.00 C ATOM 453 C LEU A 26 2.034 10.163 -2.647 1.00 0.00 C ATOM 454 O LEU A 26 1.774 10.980 -3.527 1.00 0.00 O ATOM 455 CB LEU A 26 3.057 8.028 -3.422 1.00 0.00 C ATOM 456 CG LEU A 26 2.315 6.964 -2.613 1.00 0.00 C ATOM 457 CD1 LEU A 26 1.323 6.215 -3.490 1.00 0.00 C ATOM 458 CD2 LEU A 26 3.307 6.002 -1.984 1.00 0.00 C ATOM 0 H LEU A 26 4.004 8.116 -1.115 1.00 0.00 H new ATOM 0 HA LEU A 26 4.087 9.889 -3.210 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.485 8.242 -4.325 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.015 7.618 -3.742 1.00 0.00 H new ATOM 0 HG LEU A 26 1.756 7.458 -1.818 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.806 5.463 -2.894 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.596 6.917 -3.898 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.855 5.728 -4.307 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.769 5.248 -1.410 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.888 5.515 -2.767 1.00 0.00 H new ATOM 0 HD23 LEU A 26 3.977 6.551 -1.323 1.00 0.00 H new ATOM 470 N THR A 27 1.266 9.952 -1.593 1.00 0.00 N ATOM 471 CA THR A 27 0.021 10.671 -1.372 1.00 0.00 C ATOM 472 C THR A 27 0.271 12.179 -1.434 1.00 0.00 C ATOM 473 O THR A 27 -0.625 12.963 -1.744 1.00 0.00 O ATOM 474 CB THR A 27 -0.563 10.264 -0.017 1.00 0.00 C ATOM 475 OG1 THR A 27 -0.041 11.073 1.023 1.00 0.00 O ATOM 476 CG2 THR A 27 -0.275 8.815 0.334 1.00 0.00 C ATOM 0 H THR A 27 1.488 9.275 -0.863 1.00 0.00 H new ATOM 0 HA THR A 27 -0.697 10.417 -2.152 1.00 0.00 H new ATOM 0 HB THR A 27 -1.641 10.399 -0.108 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.658 10.580 1.501 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.712 8.582 1.305 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.708 8.164 -0.425 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.803 8.658 0.375 1.00 0.00 H new ATOM 484 N GLU A 28 1.516 12.560 -1.155 1.00 0.00 N ATOM 485 CA GLU A 28 1.941 13.952 -1.191 1.00 0.00 C ATOM 486 C GLU A 28 3.270 14.075 -1.945 1.00 0.00 C ATOM 487 O GLU A 28 3.974 15.077 -1.825 1.00 0.00 O ATOM 488 CB GLU A 28 2.093 14.496 0.230 1.00 0.00 C ATOM 489 CG GLU A 28 0.768 14.775 0.920 1.00 0.00 C ATOM 490 CD GLU A 28 0.867 14.684 2.430 1.00 0.00 C ATOM 491 OE1 GLU A 28 0.717 13.568 2.969 1.00 0.00 O ATOM 492 OE2 GLU A 28 1.094 15.731 3.073 1.00 0.00 O ATOM 0 H GLU A 28 2.257 11.909 -0.897 1.00 0.00 H new ATOM 0 HA GLU A 28 1.182 14.537 -1.711 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.659 13.780 0.825 1.00 0.00 H new ATOM 0 HB3 GLU A 28 2.677 15.416 0.197 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.420 15.770 0.642 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.021 14.065 0.565 1.00 0.00 H new ATOM 499 N ARG A 29 3.601 13.039 -2.720 1.00 0.00 N ATOM 500 CA ARG A 29 4.836 13.008 -3.497 1.00 0.00 C ATOM 501 C ARG A 29 4.533 12.868 -4.986 1.00 0.00 C ATOM 502 O ARG A 29 5.048 13.625 -5.808 1.00 0.00 O ATOM 503 CB ARG A 29 5.731 11.855 -3.039 1.00 0.00 C ATOM 504 CG ARG A 29 7.213 12.197 -3.059 1.00 0.00 C ATOM 505 CD ARG A 29 7.865 11.780 -4.368 1.00 0.00 C ATOM 506 NE ARG A 29 8.695 12.843 -4.931 1.00 0.00 N ATOM 507 CZ ARG A 29 9.067 12.896 -6.208 1.00 0.00 C ATOM 508 NH1 ARG A 29 8.687 11.949 -7.058 1.00 0.00 N ATOM 509 NH2 ARG A 29 9.822 13.899 -6.637 1.00 0.00 N ATOM 0 H ARG A 29 3.023 12.205 -2.824 1.00 0.00 H new ATOM 0 HA ARG A 29 5.361 13.949 -3.333 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.446 11.563 -2.028 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.556 10.992 -3.681 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.342 13.269 -2.913 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.713 11.700 -2.228 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.476 10.893 -4.202 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.092 11.505 -5.086 1.00 0.00 H new ATOM 0 HE ARG A 29 9.008 13.588 -4.309 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.107 11.175 -6.734 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.975 11.995 -8.035 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.117 14.629 -5.988 1.00 0.00 H new ATOM 0 HH22 ARG A 29 10.107 13.940 -7.615 1.00 0.00 H new ATOM 523 N ARG A 30 3.691 11.893 -5.326 1.00 0.00 N ATOM 524 CA ARG A 30 3.322 11.658 -6.719 1.00 0.00 C ATOM 525 C ARG A 30 1.811 11.477 -6.878 1.00 0.00 C ATOM 526 O ARG A 30 1.329 11.153 -7.964 1.00 0.00 O ATOM 527 CB ARG A 30 4.052 10.427 -7.262 1.00 0.00 C ATOM 528 CG ARG A 30 3.763 9.154 -6.484 1.00 0.00 C ATOM 529 CD ARG A 30 2.534 8.433 -7.021 1.00 0.00 C ATOM 530 NE ARG A 30 2.879 7.173 -7.675 1.00 0.00 N ATOM 531 CZ ARG A 30 3.101 7.047 -8.984 1.00 0.00 C ATOM 532 NH1 ARG A 30 3.019 8.100 -9.788 1.00 0.00 N ATOM 533 NH2 ARG A 30 3.408 5.860 -9.489 1.00 0.00 N ATOM 0 H ARG A 30 3.254 11.257 -4.659 1.00 0.00 H new ATOM 0 HA ARG A 30 3.620 12.537 -7.291 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.769 10.278 -8.304 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.125 10.616 -7.247 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.626 8.491 -6.537 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.612 9.397 -5.432 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.842 8.238 -6.202 1.00 0.00 H new ATOM 0 HD3 ARG A 30 2.016 9.079 -7.730 1.00 0.00 H new ATOM 0 HE ARG A 30 2.955 6.338 -7.094 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.784 9.016 -9.406 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.191 7.993 -10.788 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.474 5.047 -8.877 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.578 5.760 -10.490 1.00 0.00 H new ATOM 547 N ARG A 31 1.068 11.690 -5.796 1.00 0.00 N ATOM 548 CA ARG A 31 -0.384 11.549 -5.825 1.00 0.00 C ATOM 549 C ARG A 31 -1.039 12.736 -6.523 1.00 0.00 C ATOM 550 O ARG A 31 -2.242 12.727 -6.782 1.00 0.00 O ATOM 551 CB ARG A 31 -0.928 11.412 -4.405 1.00 0.00 C ATOM 552 CG ARG A 31 -2.408 11.071 -4.349 1.00 0.00 C ATOM 553 CD ARG A 31 -2.913 11.011 -2.915 1.00 0.00 C ATOM 554 NE ARG A 31 -4.369 11.109 -2.841 1.00 0.00 N ATOM 555 CZ ARG A 31 -5.085 10.714 -1.790 1.00 0.00 C ATOM 556 NH1 ARG A 31 -4.485 10.196 -0.726 1.00 0.00 N ATOM 557 NH2 ARG A 31 -6.406 10.837 -1.804 1.00 0.00 N ATOM 0 H ARG A 31 1.447 11.961 -4.889 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.624 10.648 -6.390 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.366 10.638 -3.883 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.759 12.346 -3.869 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.976 11.817 -4.905 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.580 10.112 -4.837 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.589 10.077 -2.456 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -2.466 11.821 -2.339 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.866 11.503 -3.640 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -3.470 10.099 -0.710 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.039 9.895 0.076 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.873 11.234 -2.620 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.955 10.535 -0.999 1.00 0.00 H new ATOM 571 N GLN A 32 -0.242 13.749 -6.846 1.00 0.00 N ATOM 572 CA GLN A 32 -0.750 14.925 -7.536 1.00 0.00 C ATOM 573 C GLN A 32 -0.544 14.763 -9.032 1.00 0.00 C ATOM 574 O GLN A 32 -1.246 15.365 -9.844 1.00 0.00 O ATOM 575 CB GLN A 32 -0.045 16.190 -7.039 1.00 0.00 C ATOM 576 CG GLN A 32 -0.474 16.619 -5.645 1.00 0.00 C ATOM 577 CD GLN A 32 0.550 17.509 -4.969 1.00 0.00 C ATOM 578 OE1 GLN A 32 0.295 18.687 -4.715 1.00 0.00 O ATOM 579 NE2 GLN A 32 1.718 16.951 -4.675 1.00 0.00 N ATOM 0 H GLN A 32 0.757 13.778 -6.641 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.815 15.025 -7.326 1.00 0.00 H new ATOM 0 HB2 GLN A 32 1.032 16.021 -7.043 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.242 17.004 -7.737 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -1.425 17.148 -5.708 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -0.642 15.734 -5.032 1.00 0.00 H new ATOM 0 HE21 GLN A 32 1.887 15.971 -4.903 1.00 0.00 H new ATOM 0 HE22 GLN A 32 2.446 17.502 -4.221 1.00 0.00 H new ATOM 588 N GLN A 33 0.422 13.921 -9.384 1.00 0.00 N ATOM 589 CA GLN A 33 0.731 13.640 -10.771 1.00 0.00 C ATOM 590 C GLN A 33 -0.247 12.619 -11.321 1.00 0.00 C ATOM 591 O GLN A 33 -0.750 12.757 -12.435 1.00 0.00 O ATOM 592 CB GLN A 33 2.156 13.110 -10.889 1.00 0.00 C ATOM 593 CG GLN A 33 2.768 13.322 -12.256 1.00 0.00 C ATOM 594 CD GLN A 33 3.057 12.019 -12.982 1.00 0.00 C ATOM 595 OE1 GLN A 33 4.206 11.723 -13.310 1.00 0.00 O ATOM 596 NE2 GLN A 33 2.014 11.232 -13.237 1.00 0.00 N ATOM 0 H GLN A 33 1.007 13.419 -8.716 1.00 0.00 H new ATOM 0 HA GLN A 33 0.646 14.561 -11.348 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.780 13.599 -10.141 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.159 12.044 -10.660 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.093 13.927 -12.861 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.694 13.887 -12.150 1.00 0.00 H new ATOM 0 HE21 GLN A 33 1.078 11.516 -12.947 1.00 0.00 H new ATOM 0 HE22 GLN A 33 2.151 10.345 -13.722 1.00 0.00 H new ATOM 605 N LEU A 34 -0.524 11.601 -10.517 1.00 0.00 N ATOM 606 CA LEU A 34 -1.457 10.563 -10.906 1.00 0.00 C ATOM 607 C LEU A 34 -2.834 11.175 -11.080 1.00 0.00 C ATOM 608 O LEU A 34 -3.421 11.117 -12.158 1.00 0.00 O ATOM 609 CB LEU A 34 -1.497 9.469 -9.841 1.00 0.00 C ATOM 610 CG LEU A 34 -1.246 8.050 -10.351 1.00 0.00 C ATOM 611 CD1 LEU A 34 -0.797 7.146 -9.210 1.00 0.00 C ATOM 612 CD2 LEU A 34 -2.498 7.495 -11.018 1.00 0.00 C ATOM 0 H LEU A 34 -0.113 11.476 -9.592 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.136 10.117 -11.847 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -0.753 9.700 -9.079 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.472 9.495 -9.354 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.449 8.084 -11.094 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.623 6.139 -9.590 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.125 7.536 -8.778 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.572 7.115 -8.444 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -2.302 6.484 -11.375 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.315 7.473 -10.297 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.774 8.130 -11.860 1.00 0.00 H new ATOM 624 N SER A 35 -3.332 11.777 -10.004 1.00 0.00 N ATOM 625 CA SER A 35 -4.634 12.425 -10.011 1.00 0.00 C ATOM 626 C SER A 35 -4.853 13.216 -11.301 1.00 0.00 C ATOM 627 O SER A 35 -5.978 13.328 -11.788 1.00 0.00 O ATOM 628 CB SER A 35 -4.755 13.358 -8.806 1.00 0.00 C ATOM 629 OG SER A 35 -6.047 13.936 -8.733 1.00 0.00 O ATOM 0 H SER A 35 -2.846 11.828 -9.109 1.00 0.00 H new ATOM 0 HA SER A 35 -5.398 11.650 -9.953 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.550 12.803 -7.891 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.005 14.146 -8.876 1.00 0.00 H new ATOM 0 HG SER A 35 -6.570 13.667 -9.517 1.00 0.00 H new ATOM 635 N SER A 36 -3.769 13.760 -11.853 1.00 0.00 N ATOM 636 CA SER A 36 -3.848 14.535 -13.087 1.00 0.00 C ATOM 637 C SER A 36 -3.675 13.634 -14.306 1.00 0.00 C ATOM 638 O SER A 36 -4.263 13.877 -15.360 1.00 0.00 O ATOM 639 CB SER A 36 -2.782 15.632 -13.095 1.00 0.00 C ATOM 640 OG SER A 36 -2.725 16.298 -11.845 1.00 0.00 O ATOM 0 H SER A 36 -2.829 13.678 -11.465 1.00 0.00 H new ATOM 0 HA SER A 36 -4.834 14.997 -13.134 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.809 15.196 -13.323 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.002 16.351 -13.884 1.00 0.00 H new ATOM 0 HG SER A 36 -2.039 15.881 -11.283 1.00 0.00 H new ATOM 646 N GLU A 37 -2.864 12.592 -14.153 1.00 0.00 N ATOM 647 CA GLU A 37 -2.608 11.650 -15.238 1.00 0.00 C ATOM 648 C GLU A 37 -3.858 10.844 -15.585 1.00 0.00 C ATOM 649 O GLU A 37 -3.916 10.199 -16.633 1.00 0.00 O ATOM 650 CB GLU A 37 -1.469 10.703 -14.856 1.00 0.00 C ATOM 651 CG GLU A 37 -0.945 9.880 -16.022 1.00 0.00 C ATOM 652 CD GLU A 37 -0.095 8.708 -15.571 1.00 0.00 C ATOM 653 OE1 GLU A 37 -0.272 8.253 -14.422 1.00 0.00 O ATOM 654 OE2 GLU A 37 0.749 8.245 -16.369 1.00 0.00 O ATOM 0 H GLU A 37 -2.371 12.378 -13.286 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.322 12.226 -16.118 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -0.649 11.285 -14.436 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.815 10.029 -14.073 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.786 9.510 -16.608 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.356 10.520 -16.679 1.00 0.00 H new ATOM 661 N LEU A 38 -4.853 10.877 -14.703 1.00 0.00 N ATOM 662 CA LEU A 38 -6.093 10.141 -14.927 1.00 0.00 C ATOM 663 C LEU A 38 -7.256 11.101 -15.161 1.00 0.00 C ATOM 664 O LEU A 38 -8.057 10.909 -16.076 1.00 0.00 O ATOM 665 CB LEU A 38 -6.399 9.214 -13.741 1.00 0.00 C ATOM 666 CG LEU A 38 -5.238 8.982 -12.763 1.00 0.00 C ATOM 667 CD1 LEU A 38 -5.532 9.633 -11.425 1.00 0.00 C ATOM 668 CD2 LEU A 38 -4.970 7.499 -12.573 1.00 0.00 C ATOM 0 H LEU A 38 -4.825 11.403 -13.830 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.964 9.529 -15.819 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -7.240 9.629 -13.186 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.720 8.248 -14.131 1.00 0.00 H new ATOM 0 HG LEU A 38 -4.345 9.439 -13.190 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.699 9.458 -10.744 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -5.668 10.705 -11.564 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -6.441 9.204 -11.003 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.143 7.365 -11.876 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.862 7.016 -12.175 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.712 7.050 -13.532 1.00 0.00 H new ATOM 680 N GLY A 39 -7.339 12.140 -14.335 1.00 0.00 N ATOM 681 CA GLY A 39 -8.402 13.118 -14.480 1.00 0.00 C ATOM 682 C GLY A 39 -9.423 13.051 -13.360 1.00 0.00 C ATOM 683 O GLY A 39 -10.628 13.078 -13.609 1.00 0.00 O ATOM 0 H GLY A 39 -6.690 12.322 -13.569 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.968 14.117 -14.510 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -8.906 12.961 -15.434 1.00 0.00 H new ATOM 687 N LEU A 40 -8.944 12.971 -12.122 1.00 0.00 N ATOM 688 CA LEU A 40 -9.832 12.908 -10.966 1.00 0.00 C ATOM 689 C LEU A 40 -9.234 13.651 -9.776 1.00 0.00 C ATOM 690 O LEU A 40 -8.252 14.381 -9.918 1.00 0.00 O ATOM 691 CB LEU A 40 -10.132 11.453 -10.598 1.00 0.00 C ATOM 692 CG LEU A 40 -8.977 10.469 -10.781 1.00 0.00 C ATOM 693 CD1 LEU A 40 -7.785 10.860 -9.921 1.00 0.00 C ATOM 694 CD2 LEU A 40 -9.445 9.074 -10.429 1.00 0.00 C ATOM 0 H LEU A 40 -7.950 12.948 -11.894 1.00 0.00 H new ATOM 0 HA LEU A 40 -10.769 13.397 -11.232 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.451 11.420 -9.556 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.974 11.112 -11.200 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.658 10.493 -11.823 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.978 10.143 -10.071 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.443 11.856 -10.204 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.079 10.862 -8.871 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.622 8.371 -10.559 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.780 9.053 -9.392 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.271 8.792 -11.082 1.00 0.00 H new ATOM 706 N ASN A 41 -9.832 13.467 -8.603 1.00 0.00 N ATOM 707 CA ASN A 41 -9.350 14.133 -7.393 1.00 0.00 C ATOM 708 C ASN A 41 -9.161 13.147 -6.236 1.00 0.00 C ATOM 709 O ASN A 41 -9.297 11.936 -6.413 1.00 0.00 O ATOM 710 CB ASN A 41 -10.276 15.296 -6.998 1.00 0.00 C ATOM 711 CG ASN A 41 -11.502 14.864 -6.217 1.00 0.00 C ATOM 712 OD1 ASN A 41 -11.404 14.448 -5.064 1.00 0.00 O ATOM 713 ND2 ASN A 41 -12.669 14.968 -6.844 1.00 0.00 N ATOM 0 H ASN A 41 -10.645 12.867 -8.463 1.00 0.00 H new ATOM 0 HA ASN A 41 -8.368 14.550 -7.618 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -9.710 16.012 -6.402 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -10.596 15.816 -7.901 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -13.530 14.697 -6.368 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -12.704 15.318 -7.801 1.00 0.00 H new ATOM 720 N GLU A 42 -8.820 13.685 -5.066 1.00 0.00 N ATOM 721 CA GLU A 42 -8.555 12.892 -3.862 1.00 0.00 C ATOM 722 C GLU A 42 -9.645 11.870 -3.576 1.00 0.00 C ATOM 723 O GLU A 42 -9.372 10.785 -3.064 1.00 0.00 O ATOM 724 CB GLU A 42 -8.397 13.819 -2.655 1.00 0.00 C ATOM 725 CG GLU A 42 -6.995 14.384 -2.503 1.00 0.00 C ATOM 726 CD GLU A 42 -6.625 14.646 -1.056 1.00 0.00 C ATOM 727 OE1 GLU A 42 -7.275 14.064 -0.162 1.00 0.00 O ATOM 728 OE2 GLU A 42 -5.685 15.433 -0.816 1.00 0.00 O ATOM 0 H GLU A 42 -8.719 14.690 -4.924 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.633 12.340 -4.043 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -9.104 14.643 -2.745 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.659 13.271 -1.750 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.278 13.687 -2.937 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.919 15.313 -3.068 1.00 0.00 H new ATOM 735 N ALA A 43 -10.873 12.231 -3.885 1.00 0.00 N ATOM 736 CA ALA A 43 -12.010 11.346 -3.634 1.00 0.00 C ATOM 737 C ALA A 43 -11.932 10.055 -4.434 1.00 0.00 C ATOM 738 O ALA A 43 -12.543 9.052 -4.064 1.00 0.00 O ATOM 739 CB ALA A 43 -13.309 12.046 -3.958 1.00 0.00 C ATOM 0 H ALA A 43 -11.117 13.126 -4.309 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.974 11.091 -2.575 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.144 11.372 -3.765 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.409 12.935 -3.335 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -13.313 12.337 -5.008 1.00 0.00 H new ATOM 745 N GLN A 44 -11.199 10.082 -5.531 1.00 0.00 N ATOM 746 CA GLN A 44 -11.071 8.906 -6.376 1.00 0.00 C ATOM 747 C GLN A 44 -9.660 8.360 -6.327 1.00 0.00 C ATOM 748 O GLN A 44 -9.432 7.195 -6.648 1.00 0.00 O ATOM 749 CB GLN A 44 -11.457 9.214 -7.824 1.00 0.00 C ATOM 750 CG GLN A 44 -12.879 9.726 -7.987 1.00 0.00 C ATOM 751 CD GLN A 44 -13.080 11.122 -7.425 1.00 0.00 C ATOM 752 OE1 GLN A 44 -14.211 11.544 -7.183 1.00 0.00 O ATOM 753 NE2 GLN A 44 -11.989 11.851 -7.212 1.00 0.00 N ATOM 0 H GLN A 44 -10.685 10.900 -5.858 1.00 0.00 H new ATOM 0 HA GLN A 44 -11.757 8.152 -5.990 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.766 9.956 -8.224 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.336 8.311 -8.422 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.139 9.727 -9.046 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -13.565 9.039 -7.491 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -11.069 11.466 -7.425 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -12.072 12.795 -6.835 1.00 0.00 H new ATOM 762 N ILE A 45 -8.707 9.188 -5.896 1.00 0.00 N ATOM 763 CA ILE A 45 -7.338 8.748 -5.792 1.00 0.00 C ATOM 764 C ILE A 45 -7.295 7.475 -4.992 1.00 0.00 C ATOM 765 O ILE A 45 -6.900 6.423 -5.487 1.00 0.00 O ATOM 766 CB ILE A 45 -6.440 9.803 -5.116 1.00 0.00 C ATOM 767 CG1 ILE A 45 -6.606 11.153 -5.789 1.00 0.00 C ATOM 768 CG2 ILE A 45 -4.990 9.379 -5.188 1.00 0.00 C ATOM 769 CD1 ILE A 45 -6.257 11.117 -7.251 1.00 0.00 C ATOM 0 H ILE A 45 -8.868 10.156 -5.618 1.00 0.00 H new ATOM 0 HA ILE A 45 -6.958 8.587 -6.801 1.00 0.00 H new ATOM 0 HB ILE A 45 -6.740 9.887 -4.071 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.637 11.488 -5.673 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -5.974 11.886 -5.286 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.366 10.133 -4.707 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -4.864 8.424 -4.677 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.693 9.274 -6.231 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.394 12.109 -7.682 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.218 10.810 -7.370 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.906 10.406 -7.763 1.00 0.00 H new ATOM 781 N LYS A 46 -7.748 7.582 -3.762 1.00 0.00 N ATOM 782 CA LYS A 46 -7.794 6.436 -2.875 1.00 0.00 C ATOM 783 C LYS A 46 -8.664 5.329 -3.469 1.00 0.00 C ATOM 784 O LYS A 46 -8.571 4.172 -3.060 1.00 0.00 O ATOM 785 CB LYS A 46 -8.327 6.844 -1.500 1.00 0.00 C ATOM 786 CG LYS A 46 -9.585 7.695 -1.558 1.00 0.00 C ATOM 787 CD LYS A 46 -10.261 7.782 -0.200 1.00 0.00 C ATOM 788 CE LYS A 46 -11.293 8.897 -0.161 1.00 0.00 C ATOM 789 NZ LYS A 46 -11.998 8.955 1.149 1.00 0.00 N ATOM 0 H LYS A 46 -8.090 8.451 -3.351 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.779 6.055 -2.758 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.534 5.945 -0.919 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -7.551 7.395 -0.969 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -9.332 8.697 -1.905 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.279 7.272 -2.285 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -10.742 6.831 0.029 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -9.510 7.953 0.571 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.803 9.852 -0.352 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -12.021 8.746 -0.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.693 9.728 1.135 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -12.487 8.053 1.321 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.307 9.124 1.908 1.00 0.00 H new ATOM 803 N ILE A 47 -9.535 5.693 -4.416 1.00 0.00 N ATOM 804 CA ILE A 47 -10.438 4.723 -5.026 1.00 0.00 C ATOM 805 C ILE A 47 -9.785 3.837 -6.097 1.00 0.00 C ATOM 806 O ILE A 47 -10.093 2.647 -6.161 1.00 0.00 O ATOM 807 CB ILE A 47 -11.685 5.422 -5.621 1.00 0.00 C ATOM 808 CG1 ILE A 47 -12.767 5.570 -4.551 1.00 0.00 C ATOM 809 CG2 ILE A 47 -12.231 4.665 -6.825 1.00 0.00 C ATOM 810 CD1 ILE A 47 -12.339 6.417 -3.374 1.00 0.00 C ATOM 0 H ILE A 47 -9.631 6.644 -4.771 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.731 4.061 -4.211 1.00 0.00 H new ATOM 0 HB ILE A 47 -11.382 6.412 -5.962 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -13.655 6.012 -5.002 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -13.050 4.580 -4.193 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -13.106 5.185 -7.216 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -11.465 4.611 -7.599 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -12.513 3.656 -6.523 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -13.155 6.479 -2.654 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -11.469 5.965 -2.898 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -12.084 7.419 -3.720 1.00 0.00 H new ATOM 822 N TRP A 48 -8.923 4.378 -6.963 1.00 0.00 N ATOM 823 CA TRP A 48 -8.341 3.518 -8.004 1.00 0.00 C ATOM 824 C TRP A 48 -7.303 2.545 -7.440 1.00 0.00 C ATOM 825 O TRP A 48 -7.181 1.428 -7.943 1.00 0.00 O ATOM 826 CB TRP A 48 -7.773 4.283 -9.214 1.00 0.00 C ATOM 827 CG TRP A 48 -7.383 5.703 -8.966 1.00 0.00 C ATOM 828 CD1 TRP A 48 -8.202 6.785 -8.910 1.00 0.00 C ATOM 829 CD2 TRP A 48 -6.061 6.193 -8.792 1.00 0.00 C ATOM 830 NE1 TRP A 48 -7.467 7.917 -8.672 1.00 0.00 N ATOM 831 CE2 TRP A 48 -6.145 7.576 -8.600 1.00 0.00 C ATOM 832 CE3 TRP A 48 -4.817 5.588 -8.766 1.00 0.00 C ATOM 833 CZ2 TRP A 48 -5.019 8.364 -8.385 1.00 0.00 C ATOM 834 CZ3 TRP A 48 -3.703 6.362 -8.556 1.00 0.00 C ATOM 835 CH2 TRP A 48 -3.810 7.739 -8.365 1.00 0.00 C ATOM 0 H TRP A 48 -8.623 5.353 -6.971 1.00 0.00 H new ATOM 0 HA TRP A 48 -9.185 2.940 -8.381 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.898 3.746 -9.581 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -8.516 4.265 -10.012 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -9.274 6.757 -9.035 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -7.844 8.859 -8.566 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.724 4.522 -8.909 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -5.101 9.431 -8.239 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.728 5.897 -8.538 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.916 8.321 -8.198 1.00 0.00 H new ATOM 846 N PHE A 49 -6.572 2.929 -6.389 1.00 0.00 N ATOM 847 CA PHE A 49 -5.596 2.004 -5.810 1.00 0.00 C ATOM 848 C PHE A 49 -6.325 0.826 -5.190 1.00 0.00 C ATOM 849 O PHE A 49 -5.934 -0.326 -5.374 1.00 0.00 O ATOM 850 CB PHE A 49 -4.713 2.648 -4.738 1.00 0.00 C ATOM 851 CG PHE A 49 -4.239 4.024 -5.055 1.00 0.00 C ATOM 852 CD1 PHE A 49 -3.144 4.227 -5.872 1.00 0.00 C ATOM 853 CD2 PHE A 49 -4.883 5.114 -4.520 1.00 0.00 C ATOM 854 CE1 PHE A 49 -2.705 5.503 -6.151 1.00 0.00 C ATOM 855 CE2 PHE A 49 -4.455 6.385 -4.790 1.00 0.00 C ATOM 856 CZ PHE A 49 -3.363 6.590 -5.609 1.00 0.00 C ATOM 0 H PHE A 49 -6.633 3.841 -5.936 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.945 1.688 -6.625 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.269 2.679 -3.801 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.845 2.010 -4.573 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.627 3.378 -6.296 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.738 4.965 -3.878 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.849 5.653 -6.792 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.973 7.230 -4.361 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.025 7.593 -5.825 1.00 0.00 H new ATOM 866 N GLN A 50 -7.397 1.121 -4.452 1.00 0.00 N ATOM 867 CA GLN A 50 -8.177 0.067 -3.813 1.00 0.00 C ATOM 868 C GLN A 50 -8.706 -0.907 -4.862 1.00 0.00 C ATOM 869 O GLN A 50 -8.927 -2.084 -4.579 1.00 0.00 O ATOM 870 CB GLN A 50 -9.332 0.657 -2.998 1.00 0.00 C ATOM 871 CG GLN A 50 -10.427 1.286 -3.841 1.00 0.00 C ATOM 872 CD GLN A 50 -11.797 1.162 -3.205 1.00 0.00 C ATOM 873 OE1 GLN A 50 -12.602 0.317 -3.595 1.00 0.00 O ATOM 874 NE2 GLN A 50 -12.067 2.006 -2.216 1.00 0.00 N ATOM 0 H GLN A 50 -7.739 2.067 -4.285 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.524 -0.475 -3.128 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.768 -0.130 -2.383 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.935 1.410 -2.317 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -10.198 2.340 -3.999 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -10.442 0.812 -4.823 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -11.369 2.691 -1.925 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -12.972 1.969 -1.747 1.00 0.00 H new ATOM 883 N ASN A 51 -8.889 -0.404 -6.079 1.00 0.00 N ATOM 884 CA ASN A 51 -9.371 -1.223 -7.181 1.00 0.00 C ATOM 885 C ASN A 51 -8.198 -1.876 -7.904 1.00 0.00 C ATOM 886 O ASN A 51 -8.324 -2.971 -8.452 1.00 0.00 O ATOM 887 CB ASN A 51 -10.188 -0.374 -8.159 1.00 0.00 C ATOM 888 CG ASN A 51 -11.679 -0.612 -8.026 1.00 0.00 C ATOM 889 OD1 ASN A 51 -12.264 -1.395 -8.774 1.00 0.00 O ATOM 890 ND2 ASN A 51 -12.303 0.066 -7.070 1.00 0.00 N ATOM 0 H ASN A 51 -8.710 0.569 -6.325 1.00 0.00 H new ATOM 0 HA ASN A 51 -10.014 -2.005 -6.778 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -9.975 0.681 -7.986 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -9.877 -0.599 -9.179 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -13.307 -0.052 -6.933 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.778 0.705 -6.472 1.00 0.00 H new