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= 0.189 X(o=0.19,f=0) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot -97:sc= 0.0656 USER MOD Single : A 32 GLN : amide:sc= -0.206 K(o=-0.21,f=-2.9!) USER MOD Single : A 33 GLN : amide:sc= -2.08 K(o=-2.1,f=-0.37) USER MOD Single : A 35 SER OG : rot -36:sc= -4.76! USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -1.52 X(o=-1.5,f=-1.2) USER MOD Single : A 44 GLN : amide:sc= -8.16! K(o=-8.2!,f=-0.58) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.165 X(o=-0.16,f=0) USER MOD Single : A 51 ASN : amide:sc= 0.0301 X(o=0.03,f=0) USER MOD ----------------------------------------------------------------- ATOM 392 N ASN A 23 3.264 3.363 0.856 1.00 0.00 N ATOM 393 CA ASN A 23 1.928 3.859 0.553 1.00 0.00 C ATOM 394 C ASN A 23 1.589 5.019 1.478 1.00 0.00 C ATOM 395 O ASN A 23 0.437 5.213 1.864 1.00 0.00 O ATOM 396 CB ASN A 23 0.898 2.739 0.710 1.00 0.00 C ATOM 397 CG ASN A 23 0.830 1.834 -0.506 1.00 0.00 C ATOM 398 OD1 ASN A 23 -0.225 1.283 -0.824 1.00 0.00 O ATOM 399 ND2 ASN A 23 1.955 1.672 -1.195 1.00 0.00 N ATOM 0 HA ASN A 23 1.905 4.208 -0.479 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.146 2.143 1.588 1.00 0.00 H new ATOM 0 HB3 ASN A 23 -0.084 3.176 0.888 1.00 0.00 H new ATOM 0 HD21 ASN A 23 1.966 1.073 -2.021 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.808 2.146 -0.898 1.00 0.00 H new ATOM 406 N ARG A 24 2.622 5.765 1.855 1.00 0.00 N ATOM 407 CA ARG A 24 2.477 6.891 2.768 1.00 0.00 C ATOM 408 C ARG A 24 2.967 8.197 2.142 1.00 0.00 C ATOM 409 O ARG A 24 2.387 9.261 2.358 1.00 0.00 O ATOM 410 CB ARG A 24 3.280 6.583 4.039 1.00 0.00 C ATOM 411 CG ARG A 24 4.161 7.726 4.529 1.00 0.00 C ATOM 412 CD ARG A 24 4.570 7.530 5.980 1.00 0.00 C ATOM 413 NE ARG A 24 5.802 8.246 6.305 1.00 0.00 N ATOM 414 CZ ARG A 24 7.023 7.773 6.062 1.00 0.00 C ATOM 415 NH1 ARG A 24 7.182 6.589 5.485 1.00 0.00 N ATOM 416 NH2 ARG A 24 8.088 8.488 6.398 1.00 0.00 N ATOM 0 H ARG A 24 3.578 5.607 1.538 1.00 0.00 H new ATOM 0 HA ARG A 24 1.421 7.025 3.001 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.586 6.311 4.834 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.908 5.712 3.853 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.052 7.794 3.905 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.626 8.670 4.425 1.00 0.00 H new ATOM 0 HD2 ARG A 24 3.768 7.875 6.632 1.00 0.00 H new ATOM 0 HD3 ARG A 24 4.706 6.467 6.177 1.00 0.00 H new ATOM 0 HE ARG A 24 5.722 9.163 6.744 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.366 6.035 5.225 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.120 6.233 5.302 1.00 0.00 H new ATOM 0 HH21 ARG A 24 7.971 9.399 6.842 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.024 8.127 6.213 1.00 0.00 H new ATOM 430 N TYR A 25 4.054 8.102 1.395 1.00 0.00 N ATOM 431 CA TYR A 25 4.660 9.269 0.757 1.00 0.00 C ATOM 432 C TYR A 25 4.083 9.509 -0.638 1.00 0.00 C ATOM 433 O TYR A 25 3.871 10.651 -1.042 1.00 0.00 O ATOM 434 CB TYR A 25 6.167 9.061 0.646 1.00 0.00 C ATOM 435 CG TYR A 25 6.498 8.093 -0.452 1.00 0.00 C ATOM 436 CD1 TYR A 25 6.246 6.741 -0.295 1.00 0.00 C ATOM 437 CD2 TYR A 25 7.002 8.539 -1.661 1.00 0.00 C ATOM 438 CE1 TYR A 25 6.492 5.855 -1.315 1.00 0.00 C ATOM 439 CE2 TYR A 25 7.260 7.659 -2.689 1.00 0.00 C ATOM 440 CZ TYR A 25 7.001 6.314 -2.513 1.00 0.00 C ATOM 441 OH TYR A 25 7.248 5.429 -3.538 1.00 0.00 O ATOM 0 H TYR A 25 4.541 7.225 1.212 1.00 0.00 H new ATOM 0 HA TYR A 25 4.440 10.141 1.373 1.00 0.00 H new ATOM 0 HB2 TYR A 25 6.656 10.016 0.453 1.00 0.00 H new ATOM 0 HB3 TYR A 25 6.557 8.689 1.593 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.851 6.378 0.642 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.196 9.592 -1.801 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.288 4.803 -1.180 1.00 0.00 H new ATOM 0 HE2 TYR A 25 7.662 8.018 -3.625 1.00 0.00 H new ATOM 0 HH TYR A 25 7.603 5.915 -4.311 1.00 0.00 H new ATOM 451 N LEU A 26 3.841 8.422 -1.374 1.00 0.00 N ATOM 452 CA LEU A 26 3.294 8.511 -2.729 1.00 0.00 C ATOM 453 C LEU A 26 2.015 9.348 -2.752 1.00 0.00 C ATOM 454 O LEU A 26 1.553 9.773 -3.809 1.00 0.00 O ATOM 455 CB LEU A 26 3.014 7.109 -3.282 1.00 0.00 C ATOM 456 CG LEU A 26 1.756 6.428 -2.737 1.00 0.00 C ATOM 457 CD1 LEU A 26 1.646 5.009 -3.270 1.00 0.00 C ATOM 458 CD2 LEU A 26 1.766 6.427 -1.215 1.00 0.00 C ATOM 0 H LEU A 26 4.015 7.469 -1.054 1.00 0.00 H new ATOM 0 HA LEU A 26 4.035 9.002 -3.360 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.930 7.175 -4.367 1.00 0.00 H new ATOM 0 HB3 LEU A 26 3.873 6.474 -3.067 1.00 0.00 H new ATOM 0 HG LEU A 26 0.886 6.991 -3.074 1.00 0.00 H new ATOM 0 HD11 LEU A 26 0.746 4.540 -2.872 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.593 5.032 -4.358 1.00 0.00 H new ATOM 0 HD13 LEU A 26 2.520 4.436 -2.962 1.00 0.00 H new ATOM 0 HD21 LEU A 26 0.864 5.939 -0.846 1.00 0.00 H new ATOM 0 HD22 LEU A 26 2.643 5.888 -0.857 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.798 7.454 -0.851 1.00 0.00 H new ATOM 470 N THR A 27 1.463 9.581 -1.570 1.00 0.00 N ATOM 471 CA THR A 27 0.254 10.365 -1.411 1.00 0.00 C ATOM 472 C THR A 27 0.582 11.853 -1.531 1.00 0.00 C ATOM 473 O THR A 27 -0.286 12.677 -1.822 1.00 0.00 O ATOM 474 CB THR A 27 -0.383 10.043 -0.055 1.00 0.00 C ATOM 475 OG1 THR A 27 0.045 10.958 0.939 1.00 0.00 O ATOM 476 CG2 THR A 27 -0.048 8.641 0.435 1.00 0.00 C ATOM 0 H THR A 27 1.845 9.229 -0.693 1.00 0.00 H new ATOM 0 HA THR A 27 -0.459 10.114 -2.196 1.00 0.00 H new ATOM 0 HB THR A 27 -1.459 10.118 -0.214 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.784 10.565 1.449 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.526 8.469 1.399 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.410 7.908 -0.286 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.032 8.542 0.542 1.00 0.00 H new ATOM 484 N GLU A 28 1.857 12.175 -1.325 1.00 0.00 N ATOM 485 CA GLU A 28 2.348 13.542 -1.426 1.00 0.00 C ATOM 486 C GLU A 28 3.644 13.577 -2.239 1.00 0.00 C ATOM 487 O GLU A 28 4.369 14.573 -2.230 1.00 0.00 O ATOM 488 CB GLU A 28 2.590 14.124 -0.031 1.00 0.00 C ATOM 489 CG GLU A 28 1.475 15.038 0.450 1.00 0.00 C ATOM 490 CD GLU A 28 1.782 15.676 1.790 1.00 0.00 C ATOM 491 OE1 GLU A 28 2.972 15.938 2.065 1.00 0.00 O ATOM 492 OE2 GLU A 28 0.833 15.913 2.567 1.00 0.00 O ATOM 0 H GLU A 28 2.577 11.494 -1.084 1.00 0.00 H new ATOM 0 HA GLU A 28 1.595 14.146 -1.933 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.709 13.306 0.679 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.527 14.680 -0.036 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.306 15.820 -0.290 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.550 14.467 0.527 1.00 0.00 H new ATOM 499 N ARG A 29 3.930 12.476 -2.938 1.00 0.00 N ATOM 500 CA ARG A 29 5.134 12.367 -3.755 1.00 0.00 C ATOM 501 C ARG A 29 4.776 12.157 -5.223 1.00 0.00 C ATOM 502 O ARG A 29 5.379 12.759 -6.111 1.00 0.00 O ATOM 503 CB ARG A 29 6.006 11.211 -3.260 1.00 0.00 C ATOM 504 CG ARG A 29 7.319 11.072 -4.016 1.00 0.00 C ATOM 505 CD ARG A 29 8.517 11.262 -3.099 1.00 0.00 C ATOM 506 NE ARG A 29 9.579 12.034 -3.739 1.00 0.00 N ATOM 507 CZ ARG A 29 10.344 11.570 -4.723 1.00 0.00 C ATOM 508 NH1 ARG A 29 10.168 10.337 -5.184 1.00 0.00 N ATOM 509 NH2 ARG A 29 11.287 12.339 -5.250 1.00 0.00 N ATOM 0 H ARG A 29 3.339 11.645 -2.952 1.00 0.00 H new ATOM 0 HA ARG A 29 5.692 13.299 -3.665 1.00 0.00 H new ATOM 0 HB2 ARG A 29 6.220 11.356 -2.201 1.00 0.00 H new ATOM 0 HB3 ARG A 29 5.445 10.280 -3.348 1.00 0.00 H new ATOM 0 HG2 ARG A 29 7.369 10.088 -4.481 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.356 11.807 -4.820 1.00 0.00 H new ATOM 0 HD2 ARG A 29 8.199 11.769 -2.188 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.905 10.287 -2.803 1.00 0.00 H new ATOM 0 HE ARG A 29 9.744 12.986 -3.412 1.00 0.00 H new ATOM 0 HH11 ARG A 29 9.444 9.741 -4.783 1.00 0.00 H new ATOM 0 HH12 ARG A 29 10.757 9.986 -5.939 1.00 0.00 H new ATOM 0 HH21 ARG A 29 11.426 13.287 -4.901 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.873 11.982 -6.005 1.00 0.00 H new ATOM 523 N ARG A 30 3.790 11.298 -5.469 1.00 0.00 N ATOM 524 CA ARG A 30 3.352 11.009 -6.831 1.00 0.00 C ATOM 525 C ARG A 30 1.827 10.992 -6.935 1.00 0.00 C ATOM 526 O ARG A 30 1.275 10.596 -7.961 1.00 0.00 O ATOM 527 CB ARG A 30 3.916 9.665 -7.294 1.00 0.00 C ATOM 528 CG ARG A 30 3.397 8.482 -6.493 1.00 0.00 C ATOM 529 CD ARG A 30 2.108 7.928 -7.081 1.00 0.00 C ATOM 530 NE ARG A 30 2.199 6.495 -7.350 1.00 0.00 N ATOM 531 CZ ARG A 30 2.784 5.979 -8.429 1.00 0.00 C ATOM 532 NH1 ARG A 30 3.327 6.773 -9.343 1.00 0.00 N ATOM 533 NH2 ARG A 30 2.825 4.664 -8.594 1.00 0.00 N ATOM 0 H ARG A 30 3.281 10.791 -4.745 1.00 0.00 H new ATOM 0 HA ARG A 30 3.729 11.803 -7.476 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.668 9.519 -8.345 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.003 9.692 -7.224 1.00 0.00 H new ATOM 0 HG2 ARG A 30 4.154 7.698 -6.470 1.00 0.00 H new ATOM 0 HG3 ARG A 30 3.224 8.788 -5.461 1.00 0.00 H new ATOM 0 HD2 ARG A 30 1.285 8.116 -6.391 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.875 8.456 -8.006 1.00 0.00 H new ATOM 0 HE ARG A 30 1.790 5.852 -6.672 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.298 7.785 -9.221 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.774 6.371 -10.167 1.00 0.00 H new ATOM 0 HH21 ARG A 30 2.409 4.049 -7.895 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.273 4.267 -9.420 1.00 0.00 H new ATOM 547 N ARG A 31 1.148 11.423 -5.875 1.00 0.00 N ATOM 548 CA ARG A 31 -0.310 11.452 -5.868 1.00 0.00 C ATOM 549 C ARG A 31 -0.829 12.555 -6.781 1.00 0.00 C ATOM 550 O ARG A 31 -1.743 12.339 -7.577 1.00 0.00 O ATOM 551 CB ARG A 31 -0.831 11.665 -4.447 1.00 0.00 C ATOM 552 CG ARG A 31 -2.228 11.111 -4.220 1.00 0.00 C ATOM 553 CD ARG A 31 -3.077 12.060 -3.386 1.00 0.00 C ATOM 554 NE ARG A 31 -2.770 11.961 -1.962 1.00 0.00 N ATOM 555 CZ ARG A 31 -3.586 12.377 -0.996 1.00 0.00 C ATOM 556 NH1 ARG A 31 -4.759 12.921 -1.296 1.00 0.00 N ATOM 557 NH2 ARG A 31 -3.227 12.249 0.275 1.00 0.00 N ATOM 0 H ARG A 31 1.583 11.755 -5.014 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.672 10.493 -6.238 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.144 11.195 -3.743 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.832 12.732 -4.226 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.712 10.938 -5.181 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.160 10.146 -3.718 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.912 13.084 -3.722 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -4.132 11.838 -3.546 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.877 11.549 -1.691 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -5.040 13.022 -2.271 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -5.380 13.238 -0.551 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -2.326 11.832 0.511 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -3.852 12.567 1.016 1.00 0.00 H new ATOM 571 N GLN A 32 -0.238 13.737 -6.659 1.00 0.00 N ATOM 572 CA GLN A 32 -0.637 14.876 -7.473 1.00 0.00 C ATOM 573 C GLN A 32 -0.408 14.593 -8.953 1.00 0.00 C ATOM 574 O GLN A 32 -1.100 15.139 -9.812 1.00 0.00 O ATOM 575 CB GLN A 32 0.140 16.125 -7.054 1.00 0.00 C ATOM 576 CG GLN A 32 1.632 15.885 -6.888 1.00 0.00 C ATOM 577 CD GLN A 32 2.469 17.051 -7.377 1.00 0.00 C ATOM 578 OE1 GLN A 32 1.951 17.996 -7.972 1.00 0.00 O ATOM 579 NE2 GLN A 32 3.771 16.991 -7.125 1.00 0.00 N ATOM 0 H GLN A 32 0.519 13.931 -6.004 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.702 15.049 -7.316 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -0.013 16.905 -7.799 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.267 16.498 -6.114 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.852 15.701 -5.836 1.00 0.00 H new ATOM 0 HG3 GLN A 32 1.914 14.985 -7.435 1.00 0.00 H new ATOM 0 HE21 GLN A 32 4.158 16.188 -6.629 1.00 0.00 H new ATOM 0 HE22 GLN A 32 4.384 17.748 -7.428 1.00 0.00 H new ATOM 588 N GLN A 33 0.566 13.735 -9.249 1.00 0.00 N ATOM 589 CA GLN A 33 0.871 13.389 -10.631 1.00 0.00 C ATOM 590 C GLN A 33 -0.187 12.451 -11.194 1.00 0.00 C ATOM 591 O GLN A 33 -0.603 12.592 -12.344 1.00 0.00 O ATOM 592 CB GLN A 33 2.279 12.778 -10.740 1.00 0.00 C ATOM 593 CG GLN A 33 2.319 11.255 -10.735 1.00 0.00 C ATOM 594 CD GLN A 33 2.248 10.668 -12.133 1.00 0.00 C ATOM 595 OE1 GLN A 33 3.142 10.877 -12.952 1.00 0.00 O ATOM 596 NE2 GLN A 33 1.181 9.928 -12.411 1.00 0.00 N ATOM 0 H GLN A 33 1.152 13.271 -8.555 1.00 0.00 H new ATOM 0 HA GLN A 33 0.859 14.301 -11.228 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.745 13.136 -11.658 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.884 13.146 -9.911 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.236 10.920 -10.250 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.487 10.875 -10.142 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.463 9.781 -11.701 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.079 9.507 -13.334 1.00 0.00 H new ATOM 605 N LEU A 34 -0.644 11.511 -10.375 1.00 0.00 N ATOM 606 CA LEU A 34 -1.677 10.587 -10.806 1.00 0.00 C ATOM 607 C LEU A 34 -2.980 11.346 -10.965 1.00 0.00 C ATOM 608 O LEU A 34 -3.561 11.377 -12.045 1.00 0.00 O ATOM 609 CB LEU A 34 -1.855 9.454 -9.805 1.00 0.00 C ATOM 610 CG LEU A 34 -0.936 8.249 -9.986 1.00 0.00 C ATOM 611 CD1 LEU A 34 -0.830 7.481 -8.681 1.00 0.00 C ATOM 612 CD2 LEU A 34 -1.458 7.346 -11.092 1.00 0.00 C ATOM 0 H LEU A 34 -0.317 11.372 -9.419 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.381 10.147 -11.758 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.703 9.854 -8.803 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.888 9.109 -9.857 1.00 0.00 H new ATOM 0 HG LEU A 34 0.056 8.601 -10.270 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.173 6.622 -8.817 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -0.422 8.132 -7.908 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.819 7.137 -8.380 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -0.792 6.491 -11.209 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -2.457 6.995 -10.834 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -1.500 7.904 -12.028 1.00 0.00 H new ATOM 624 N SER A 35 -3.427 11.972 -9.876 1.00 0.00 N ATOM 625 CA SER A 35 -4.652 12.753 -9.886 1.00 0.00 C ATOM 626 C SER A 35 -4.784 13.562 -11.178 1.00 0.00 C ATOM 627 O SER A 35 -5.889 13.784 -11.672 1.00 0.00 O ATOM 628 CB SER A 35 -4.678 13.700 -8.686 1.00 0.00 C ATOM 629 OG SER A 35 -6.008 14.012 -8.309 1.00 0.00 O ATOM 0 H SER A 35 -2.952 11.949 -8.974 1.00 0.00 H new ATOM 0 HA SER A 35 -5.491 12.060 -9.826 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.157 13.241 -7.846 1.00 0.00 H new ATOM 0 HB3 SER A 35 -4.142 14.617 -8.931 1.00 0.00 H new ATOM 0 HG SER A 35 -6.566 14.087 -9.111 1.00 0.00 H new ATOM 635 N SER A 36 -3.646 14.003 -11.717 1.00 0.00 N ATOM 636 CA SER A 36 -3.639 14.790 -12.947 1.00 0.00 C ATOM 637 C SER A 36 -3.851 13.905 -14.173 1.00 0.00 C ATOM 638 O SER A 36 -4.545 14.292 -15.115 1.00 0.00 O ATOM 639 CB SER A 36 -2.319 15.551 -13.078 1.00 0.00 C ATOM 640 OG SER A 36 -2.415 16.843 -12.505 1.00 0.00 O ATOM 0 H SER A 36 -2.722 13.828 -11.322 1.00 0.00 H new ATOM 0 HA SER A 36 -4.463 15.501 -12.894 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.523 14.991 -12.588 1.00 0.00 H new ATOM 0 HB3 SER A 36 -2.048 15.636 -14.130 1.00 0.00 H new ATOM 0 HG SER A 36 -1.558 17.308 -12.600 1.00 0.00 H new ATOM 646 N GLU A 37 -3.248 12.721 -14.161 1.00 0.00 N ATOM 647 CA GLU A 37 -3.371 11.788 -15.278 1.00 0.00 C ATOM 648 C GLU A 37 -4.548 10.831 -15.086 1.00 0.00 C ATOM 649 O GLU A 37 -4.906 10.087 -16.000 1.00 0.00 O ATOM 650 CB GLU A 37 -2.075 10.990 -15.444 1.00 0.00 C ATOM 651 CG GLU A 37 -0.822 11.849 -15.391 1.00 0.00 C ATOM 652 CD GLU A 37 -0.108 11.924 -16.727 1.00 0.00 C ATOM 653 OE1 GLU A 37 0.402 10.882 -17.187 1.00 0.00 O ATOM 654 OE2 GLU A 37 -0.060 13.027 -17.312 1.00 0.00 O ATOM 0 H GLU A 37 -2.670 12.384 -13.392 1.00 0.00 H new ATOM 0 HA GLU A 37 -3.556 12.373 -16.179 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -2.021 10.234 -14.661 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -2.103 10.461 -16.397 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -1.090 12.856 -15.069 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -0.141 11.445 -14.642 1.00 0.00 H new ATOM 661 N LEU A 38 -5.146 10.849 -13.897 1.00 0.00 N ATOM 662 CA LEU A 38 -6.278 9.979 -13.599 1.00 0.00 C ATOM 663 C LEU A 38 -7.607 10.723 -13.738 1.00 0.00 C ATOM 664 O LEU A 38 -8.670 10.160 -13.480 1.00 0.00 O ATOM 665 CB LEU A 38 -6.140 9.397 -12.190 1.00 0.00 C ATOM 666 CG LEU A 38 -5.316 8.112 -12.084 1.00 0.00 C ATOM 667 CD1 LEU A 38 -5.915 7.013 -12.943 1.00 0.00 C ATOM 668 CD2 LEU A 38 -3.868 8.372 -12.469 1.00 0.00 C ATOM 0 H LEU A 38 -4.865 11.456 -13.127 1.00 0.00 H new ATOM 0 HA LEU A 38 -6.275 9.165 -14.324 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.687 10.152 -11.547 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.138 9.201 -11.798 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.338 7.777 -11.047 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.312 6.110 -12.851 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -6.932 6.805 -12.611 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.932 7.334 -13.985 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.298 7.447 -12.387 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.824 8.736 -13.496 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.442 9.120 -11.800 1.00 0.00 H new ATOM 680 N GLY A 39 -7.545 11.989 -14.155 1.00 0.00 N ATOM 681 CA GLY A 39 -8.753 12.781 -14.327 1.00 0.00 C ATOM 682 C GLY A 39 -9.706 12.675 -13.151 1.00 0.00 C ATOM 683 O GLY A 39 -10.773 12.070 -13.260 1.00 0.00 O ATOM 0 H GLY A 39 -6.678 12.479 -14.377 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.478 13.826 -14.471 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.266 12.458 -15.233 1.00 0.00 H new ATOM 687 N LEU A 40 -9.316 13.256 -12.022 1.00 0.00 N ATOM 688 CA LEU A 40 -10.140 13.216 -10.817 1.00 0.00 C ATOM 689 C LEU A 40 -9.811 14.366 -9.872 1.00 0.00 C ATOM 690 O LEU A 40 -9.396 15.444 -10.297 1.00 0.00 O ATOM 691 CB LEU A 40 -9.955 11.878 -10.109 1.00 0.00 C ATOM 692 CG LEU A 40 -8.575 11.680 -9.494 1.00 0.00 C ATOM 693 CD1 LEU A 40 -8.618 10.708 -8.340 1.00 0.00 C ATOM 694 CD2 LEU A 40 -7.637 11.174 -10.546 1.00 0.00 C ATOM 0 H LEU A 40 -8.436 13.760 -11.915 1.00 0.00 H new ATOM 0 HA LEU A 40 -11.182 13.326 -11.116 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -10.706 11.789 -9.324 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -10.141 11.074 -10.821 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.228 12.639 -9.109 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.617 10.591 -7.926 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -9.288 11.088 -7.569 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -8.981 9.742 -8.691 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -6.647 11.030 -10.112 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -8.004 10.224 -10.935 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.576 11.899 -11.358 1.00 0.00 H new ATOM 706 N ASN A 41 -10.025 14.118 -8.591 1.00 0.00 N ATOM 707 CA ASN A 41 -9.783 15.112 -7.554 1.00 0.00 C ATOM 708 C ASN A 41 -9.075 14.501 -6.341 1.00 0.00 C ATOM 709 O ASN A 41 -7.845 14.500 -6.272 1.00 0.00 O ATOM 710 CB ASN A 41 -11.107 15.774 -7.146 1.00 0.00 C ATOM 711 CG ASN A 41 -11.021 16.521 -5.828 1.00 0.00 C ATOM 712 OD1 ASN A 41 -10.293 17.506 -5.703 1.00 0.00 O ATOM 713 ND2 ASN A 41 -11.770 16.051 -4.836 1.00 0.00 N ATOM 0 H ASN A 41 -10.370 13.225 -8.239 1.00 0.00 H new ATOM 0 HA ASN A 41 -9.119 15.875 -7.960 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -11.416 16.466 -7.929 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -11.881 15.010 -7.073 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -11.756 16.510 -3.925 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -12.358 15.231 -4.985 1.00 0.00 H new ATOM 720 N GLU A 42 -9.846 13.998 -5.379 1.00 0.00 N ATOM 721 CA GLU A 42 -9.266 13.411 -4.176 1.00 0.00 C ATOM 722 C GLU A 42 -9.970 12.115 -3.788 1.00 0.00 C ATOM 723 O GLU A 42 -9.323 11.115 -3.480 1.00 0.00 O ATOM 724 CB GLU A 42 -9.338 14.407 -3.017 1.00 0.00 C ATOM 725 CG GLU A 42 -8.619 15.716 -3.296 1.00 0.00 C ATOM 726 CD GLU A 42 -7.139 15.649 -2.971 1.00 0.00 C ATOM 727 OE1 GLU A 42 -6.575 14.537 -3.001 1.00 0.00 O ATOM 728 OE2 GLU A 42 -6.546 16.711 -2.686 1.00 0.00 O ATOM 0 H GLU A 42 -10.865 13.985 -5.409 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.224 13.177 -4.392 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.384 14.617 -2.793 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.908 13.948 -2.127 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.745 15.979 -4.346 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -9.080 16.512 -2.711 1.00 0.00 H new ATOM 735 N ALA A 43 -11.297 12.141 -3.797 1.00 0.00 N ATOM 736 CA ALA A 43 -12.083 10.966 -3.436 1.00 0.00 C ATOM 737 C ALA A 43 -11.904 9.839 -4.439 1.00 0.00 C ATOM 738 O ALA A 43 -12.188 8.680 -4.137 1.00 0.00 O ATOM 739 CB ALA A 43 -13.553 11.317 -3.328 1.00 0.00 C ATOM 0 H ALA A 43 -11.851 12.960 -4.049 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.720 10.624 -2.467 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.121 10.427 -3.058 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.689 12.080 -2.562 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -13.908 11.697 -4.286 1.00 0.00 H new ATOM 745 N GLN A 44 -11.432 10.174 -5.630 1.00 0.00 N ATOM 746 CA GLN A 44 -11.223 9.166 -6.655 1.00 0.00 C ATOM 747 C GLN A 44 -9.774 8.700 -6.642 1.00 0.00 C ATOM 748 O GLN A 44 -9.446 7.641 -7.170 1.00 0.00 O ATOM 749 CB GLN A 44 -11.627 9.683 -8.037 1.00 0.00 C ATOM 750 CG GLN A 44 -13.035 10.261 -8.087 1.00 0.00 C ATOM 751 CD GLN A 44 -13.163 11.612 -7.400 1.00 0.00 C ATOM 752 OE1 GLN A 44 -14.269 12.051 -7.085 1.00 0.00 O ATOM 753 NE2 GLN A 44 -12.039 12.283 -7.159 1.00 0.00 N ATOM 0 H GLN A 44 -11.189 11.125 -5.908 1.00 0.00 H new ATOM 0 HA GLN A 44 -11.863 8.312 -6.432 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.918 10.449 -8.350 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.553 8.867 -8.756 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.341 10.362 -9.128 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -13.724 9.558 -7.619 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -11.140 11.888 -7.434 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -12.077 13.193 -6.699 1.00 0.00 H new ATOM 762 N ILE A 45 -8.901 9.479 -6.009 1.00 0.00 N ATOM 763 CA ILE A 45 -7.508 9.102 -5.904 1.00 0.00 C ATOM 764 C ILE A 45 -7.431 7.723 -5.292 1.00 0.00 C ATOM 765 O ILE A 45 -6.785 6.820 -5.823 1.00 0.00 O ATOM 766 CB ILE A 45 -6.731 10.096 -5.023 1.00 0.00 C ATOM 767 CG1 ILE A 45 -6.881 11.520 -5.561 1.00 0.00 C ATOM 768 CG2 ILE A 45 -5.269 9.705 -4.948 1.00 0.00 C ATOM 769 CD1 ILE A 45 -5.975 11.812 -6.729 1.00 0.00 C ATOM 0 H ILE A 45 -9.138 10.367 -5.567 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.061 9.109 -6.898 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.147 10.065 -4.016 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -7.916 11.680 -5.863 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.670 12.228 -4.760 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.733 10.418 -4.321 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.181 8.707 -4.519 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.840 9.708 -5.950 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.131 12.838 -7.063 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -4.936 11.683 -6.425 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.202 11.126 -7.546 1.00 0.00 H new ATOM 781 N LYS A 46 -8.142 7.560 -4.188 1.00 0.00 N ATOM 782 CA LYS A 46 -8.203 6.285 -3.514 1.00 0.00 C ATOM 783 C LYS A 46 -8.925 5.266 -4.393 1.00 0.00 C ATOM 784 O LYS A 46 -8.916 4.072 -4.101 1.00 0.00 O ATOM 785 CB LYS A 46 -8.924 6.427 -2.172 1.00 0.00 C ATOM 786 CG LYS A 46 -10.314 7.031 -2.289 1.00 0.00 C ATOM 787 CD LYS A 46 -11.171 6.698 -1.078 1.00 0.00 C ATOM 788 CE LYS A 46 -11.627 7.953 -0.352 1.00 0.00 C ATOM 789 NZ LYS A 46 -12.445 7.634 0.851 1.00 0.00 N ATOM 0 H LYS A 46 -8.684 8.300 -3.743 1.00 0.00 H new ATOM 0 HA LYS A 46 -7.187 5.937 -3.328 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -9.002 5.445 -1.705 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -8.322 7.048 -1.509 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -10.234 8.113 -2.393 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -10.798 6.659 -3.192 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -12.042 6.124 -1.395 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -10.605 6.067 -0.393 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -10.756 8.536 -0.054 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -12.209 8.574 -1.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -12.736 8.517 1.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -13.290 7.099 0.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -11.881 7.063 1.512 1.00 0.00 H new ATOM 803 N ILE A 47 -9.561 5.743 -5.475 1.00 0.00 N ATOM 804 CA ILE A 47 -10.286 4.853 -6.374 1.00 0.00 C ATOM 805 C ILE A 47 -9.331 4.024 -7.235 1.00 0.00 C ATOM 806 O ILE A 47 -9.635 2.877 -7.560 1.00 0.00 O ATOM 807 CB ILE A 47 -11.283 5.635 -7.271 1.00 0.00 C ATOM 808 CG1 ILE A 47 -12.694 5.548 -6.687 1.00 0.00 C ATOM 809 CG2 ILE A 47 -11.273 5.128 -8.709 1.00 0.00 C ATOM 810 CD1 ILE A 47 -12.851 6.284 -5.375 1.00 0.00 C ATOM 0 H ILE A 47 -9.584 6.728 -5.740 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.859 4.169 -5.748 1.00 0.00 H new ATOM 0 HB ILE A 47 -10.964 6.677 -7.290 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -13.403 5.953 -7.409 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -12.954 4.500 -6.540 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -11.985 5.702 -9.302 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -10.274 5.244 -9.129 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -11.554 4.075 -8.725 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -13.876 6.180 -5.020 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -12.167 5.864 -4.638 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -12.623 7.340 -5.521 1.00 0.00 H new ATOM 822 N TRP A 48 -8.177 4.587 -7.604 1.00 0.00 N ATOM 823 CA TRP A 48 -7.228 3.832 -8.421 1.00 0.00 C ATOM 824 C TRP A 48 -6.622 2.696 -7.612 1.00 0.00 C ATOM 825 O TRP A 48 -6.743 1.523 -7.967 1.00 0.00 O ATOM 826 CB TRP A 48 -6.080 4.695 -8.957 1.00 0.00 C ATOM 827 CG TRP A 48 -6.344 6.158 -9.044 1.00 0.00 C ATOM 828 CD1 TRP A 48 -7.445 6.781 -9.541 1.00 0.00 C ATOM 829 CD2 TRP A 48 -5.448 7.185 -8.640 1.00 0.00 C ATOM 830 NE1 TRP A 48 -7.287 8.141 -9.469 1.00 0.00 N ATOM 831 CE2 TRP A 48 -6.063 8.412 -8.915 1.00 0.00 C ATOM 832 CE3 TRP A 48 -4.179 7.179 -8.065 1.00 0.00 C ATOM 833 CZ2 TRP A 48 -5.446 9.625 -8.635 1.00 0.00 C ATOM 834 CZ3 TRP A 48 -3.573 8.384 -7.787 1.00 0.00 C ATOM 835 CH2 TRP A 48 -4.205 9.591 -8.072 1.00 0.00 C ATOM 0 H TRP A 48 -7.885 5.533 -7.359 1.00 0.00 H new ATOM 0 HA TRP A 48 -7.798 3.452 -9.269 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -5.209 4.541 -8.320 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -5.815 4.335 -9.951 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -8.316 6.279 -9.935 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -7.967 8.836 -9.777 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -3.680 6.247 -7.842 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -5.933 10.563 -8.856 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.590 8.393 -7.340 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -3.702 10.519 -7.843 1.00 0.00 H new ATOM 846 N PHE A 49 -5.955 3.066 -6.528 1.00 0.00 N ATOM 847 CA PHE A 49 -5.301 2.097 -5.653 1.00 0.00 C ATOM 848 C PHE A 49 -6.303 1.075 -5.139 1.00 0.00 C ATOM 849 O PHE A 49 -5.966 -0.094 -4.947 1.00 0.00 O ATOM 850 CB PHE A 49 -4.608 2.800 -4.480 1.00 0.00 C ATOM 851 CG PHE A 49 -4.061 4.155 -4.824 1.00 0.00 C ATOM 852 CD1 PHE A 49 -2.793 4.293 -5.366 1.00 0.00 C ATOM 853 CD2 PHE A 49 -4.816 5.291 -4.610 1.00 0.00 C ATOM 854 CE1 PHE A 49 -2.296 5.542 -5.686 1.00 0.00 C ATOM 855 CE2 PHE A 49 -4.329 6.531 -4.927 1.00 0.00 C ATOM 856 CZ PHE A 49 -3.070 6.665 -5.465 1.00 0.00 C ATOM 0 H PHE A 49 -5.851 4.036 -6.230 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.542 1.576 -6.237 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.318 2.903 -3.659 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.794 2.170 -4.121 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.187 3.416 -5.540 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.805 5.200 -4.186 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.306 5.640 -6.107 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -4.936 7.407 -4.754 1.00 0.00 H new ATOM 0 HZ PHE A 49 -2.688 7.644 -5.714 1.00 0.00 H new ATOM 866 N GLN A 50 -7.542 1.512 -4.934 1.00 0.00 N ATOM 867 CA GLN A 50 -8.590 0.615 -4.462 1.00 0.00 C ATOM 868 C GLN A 50 -8.715 -0.574 -5.403 1.00 0.00 C ATOM 869 O GLN A 50 -9.066 -1.679 -4.988 1.00 0.00 O ATOM 870 CB GLN A 50 -9.930 1.348 -4.365 1.00 0.00 C ATOM 871 CG GLN A 50 -10.357 1.641 -2.938 1.00 0.00 C ATOM 872 CD GLN A 50 -11.849 1.875 -2.809 1.00 0.00 C ATOM 873 OE1 GLN A 50 -12.547 1.140 -2.110 1.00 0.00 O ATOM 874 NE2 GLN A 50 -12.348 2.903 -3.486 1.00 0.00 N ATOM 0 H GLN A 50 -7.843 2.475 -5.086 1.00 0.00 H new ATOM 0 HA GLN A 50 -8.320 0.261 -3.467 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.863 2.286 -4.916 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -10.700 0.748 -4.850 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -10.068 0.807 -2.298 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -9.823 2.520 -2.577 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -11.733 3.487 -4.053 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -13.346 3.109 -3.439 1.00 0.00 H new ATOM 883 N ASN A 51 -8.407 -0.338 -6.673 1.00 0.00 N ATOM 884 CA ASN A 51 -8.465 -1.386 -7.678 1.00 0.00 C ATOM 885 C ASN A 51 -7.180 -2.202 -7.654 1.00 0.00 C ATOM 886 O ASN A 51 -7.183 -3.396 -7.959 1.00 0.00 O ATOM 887 CB ASN A 51 -8.684 -0.786 -9.068 1.00 0.00 C ATOM 888 CG ASN A 51 -10.150 -0.735 -9.451 1.00 0.00 C ATOM 889 OD1 ASN A 51 -10.613 -1.513 -10.285 1.00 0.00 O ATOM 890 ND2 ASN A 51 -10.889 0.184 -8.842 1.00 0.00 N ATOM 0 H ASN A 51 -8.114 0.572 -7.029 1.00 0.00 H new ATOM 0 HA ASN A 51 -9.306 -2.041 -7.450 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -8.269 0.221 -9.095 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -8.139 -1.376 -9.805 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -11.882 0.266 -9.059 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -10.464 0.809 -8.157 1.00 0.00 H new