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= 0.328 K(o=0.33,f=-1) USER MOD Single : A 25 TYR OH : rot 30:sc= -2.39 USER MOD Single : A 27 THR OG1 : rot -126:sc= 1.1 USER MOD Single : A 32 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 33 GLN : amide:sc= -1.74 X(o=-1.7,f=-1.5) USER MOD Single : A 35 SER OG : rot 10:sc= -1.44! USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -1.1 X(o=-1.1,f=-0.75) USER MOD Single : A 44 GLN : amide:sc= -7.58! C(o=-7.6!,f=-1.9!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.352 X(o=-0.35,f=-0.12) USER MOD Single : A 51 ASN : amide:sc= -0.0801 X(o=-0.08,f=-0.4) USER MOD ----------------------------------------------------------------- ATOM 392 N ASN A 23 3.946 2.895 0.109 1.00 0.00 N ATOM 393 CA ASN A 23 3.112 3.804 -0.663 1.00 0.00 C ATOM 394 C ASN A 23 2.488 4.859 0.240 1.00 0.00 C ATOM 395 O ASN A 23 1.336 5.254 0.068 1.00 0.00 O ATOM 396 CB ASN A 23 2.038 3.040 -1.457 1.00 0.00 C ATOM 397 CG ASN A 23 1.057 2.277 -0.593 1.00 0.00 C ATOM 398 OD1 ASN A 23 1.003 1.048 -0.649 1.00 0.00 O ATOM 399 ND2 ASN A 23 0.253 2.993 0.186 1.00 0.00 N ATOM 0 HA ASN A 23 3.749 4.314 -1.386 1.00 0.00 H new ATOM 0 HB2 ASN A 23 1.487 3.748 -2.076 1.00 0.00 H new ATOM 0 HB3 ASN A 23 2.530 2.341 -2.133 1.00 0.00 H new ATOM 0 HD21 ASN A 23 -0.442 2.526 0.768 1.00 0.00 H new ATOM 0 HD22 ASN A 23 0.331 4.010 0.202 1.00 0.00 H new ATOM 406 N ARG A 24 3.279 5.312 1.200 1.00 0.00 N ATOM 407 CA ARG A 24 2.851 6.326 2.151 1.00 0.00 C ATOM 408 C ARG A 24 3.255 7.711 1.660 1.00 0.00 C ATOM 409 O ARG A 24 2.460 8.650 1.653 1.00 0.00 O ATOM 410 CB ARG A 24 3.503 6.032 3.508 1.00 0.00 C ATOM 411 CG ARG A 24 4.216 7.220 4.137 1.00 0.00 C ATOM 412 CD ARG A 24 4.500 6.983 5.613 1.00 0.00 C ATOM 413 NE ARG A 24 3.379 7.390 6.457 1.00 0.00 N ATOM 414 CZ ARG A 24 3.253 7.046 7.737 1.00 0.00 C ATOM 415 NH1 ARG A 24 4.175 6.293 8.324 1.00 0.00 N ATOM 416 NH2 ARG A 24 2.201 7.458 8.432 1.00 0.00 N ATOM 0 H ARG A 24 4.235 4.987 1.342 1.00 0.00 H new ATOM 0 HA ARG A 24 1.766 6.304 2.252 1.00 0.00 H new ATOM 0 HB2 ARG A 24 2.735 5.679 4.197 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.218 5.219 3.384 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.152 7.404 3.610 1.00 0.00 H new ATOM 0 HG3 ARG A 24 3.604 8.115 4.022 1.00 0.00 H new ATOM 0 HD2 ARG A 24 4.712 5.926 5.776 1.00 0.00 H new ATOM 0 HD3 ARG A 24 5.393 7.536 5.904 1.00 0.00 H new ATOM 0 HE ARG A 24 2.651 7.971 6.042 1.00 0.00 H new ATOM 0 HH11 ARG A 24 4.986 5.974 7.794 1.00 0.00 H new ATOM 0 HH12 ARG A 24 4.072 6.033 9.305 1.00 0.00 H new ATOM 0 HH21 ARG A 24 1.490 8.037 7.986 1.00 0.00 H new ATOM 0 HH22 ARG A 24 2.103 7.195 9.413 1.00 0.00 H new ATOM 430 N TYR A 25 4.513 7.813 1.271 1.00 0.00 N ATOM 431 CA TYR A 25 5.090 9.060 0.788 1.00 0.00 C ATOM 432 C TYR A 25 4.539 9.443 -0.590 1.00 0.00 C ATOM 433 O TYR A 25 4.220 10.604 -0.835 1.00 0.00 O ATOM 434 CB TYR A 25 6.604 8.911 0.702 1.00 0.00 C ATOM 435 CG TYR A 25 7.009 8.077 -0.480 1.00 0.00 C ATOM 436 CD1 TYR A 25 6.770 6.708 -0.499 1.00 0.00 C ATOM 437 CD2 TYR A 25 7.578 8.665 -1.596 1.00 0.00 C ATOM 438 CE1 TYR A 25 7.091 5.951 -1.600 1.00 0.00 C ATOM 439 CE2 TYR A 25 7.910 7.915 -2.702 1.00 0.00 C ATOM 440 CZ TYR A 25 7.664 6.555 -2.703 1.00 0.00 C ATOM 441 OH TYR A 25 7.988 5.801 -3.806 1.00 0.00 O ATOM 0 H TYR A 25 5.168 7.031 1.280 1.00 0.00 H new ATOM 0 HA TYR A 25 4.823 9.851 1.489 1.00 0.00 H new ATOM 0 HB2 TYR A 25 7.064 9.896 0.628 1.00 0.00 H new ATOM 0 HB3 TYR A 25 6.978 8.453 1.617 1.00 0.00 H new ATOM 0 HD1 TYR A 25 6.326 6.233 0.363 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.765 9.729 -1.600 1.00 0.00 H new ATOM 0 HE1 TYR A 25 6.896 4.889 -1.603 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.360 8.387 -3.563 1.00 0.00 H new ATOM 0 HH TYR A 25 7.372 5.042 -3.876 1.00 0.00 H new ATOM 451 N LEU A 26 4.445 8.459 -1.492 1.00 0.00 N ATOM 452 CA LEU A 26 3.945 8.704 -2.847 1.00 0.00 C ATOM 453 C LEU A 26 2.586 9.381 -2.805 1.00 0.00 C ATOM 454 O LEU A 26 2.169 10.030 -3.760 1.00 0.00 O ATOM 455 CB LEU A 26 3.861 7.404 -3.654 1.00 0.00 C ATOM 456 CG LEU A 26 3.334 6.185 -2.900 1.00 0.00 C ATOM 457 CD1 LEU A 26 1.817 6.108 -2.995 1.00 0.00 C ATOM 458 CD2 LEU A 26 3.975 4.919 -3.450 1.00 0.00 C ATOM 0 H LEU A 26 4.708 7.491 -1.308 1.00 0.00 H new ATOM 0 HA LEU A 26 4.653 9.368 -3.343 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.221 7.577 -4.519 1.00 0.00 H new ATOM 0 HB3 LEU A 26 4.855 7.170 -4.034 1.00 0.00 H new ATOM 0 HG LEU A 26 3.599 6.282 -1.847 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.462 5.232 -2.451 1.00 0.00 H new ATOM 0 HD12 LEU A 26 1.379 7.007 -2.561 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.521 6.030 -4.041 1.00 0.00 H new ATOM 0 HD21 LEU A 26 3.595 4.053 -2.908 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.733 4.819 -4.508 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.057 4.977 -3.329 1.00 0.00 H new ATOM 470 N THR A 27 1.920 9.247 -1.674 1.00 0.00 N ATOM 471 CA THR A 27 0.625 9.861 -1.463 1.00 0.00 C ATOM 472 C THR A 27 0.788 11.379 -1.461 1.00 0.00 C ATOM 473 O THR A 27 -0.166 12.127 -1.672 1.00 0.00 O ATOM 474 CB THR A 27 0.034 9.361 -0.148 1.00 0.00 C ATOM 475 OG1 THR A 27 0.554 10.090 0.949 1.00 0.00 O ATOM 476 CG2 THR A 27 0.310 7.888 0.099 1.00 0.00 C ATOM 0 H THR A 27 2.262 8.710 -0.877 1.00 0.00 H new ATOM 0 HA THR A 27 -0.061 9.589 -2.265 1.00 0.00 H new ATOM 0 HB THR A 27 -1.043 9.507 -0.235 1.00 0.00 H new ATOM 0 HG1 THR A 27 0.929 9.468 1.607 1.00 0.00 H new ATOM 0 HG21 THR A 27 -0.134 7.589 1.048 1.00 0.00 H new ATOM 0 HG22 THR A 27 -0.124 7.296 -0.707 1.00 0.00 H new ATOM 0 HG23 THR A 27 1.386 7.720 0.133 1.00 0.00 H new ATOM 484 N GLU A 28 2.029 11.809 -1.246 1.00 0.00 N ATOM 485 CA GLU A 28 2.389 13.217 -1.240 1.00 0.00 C ATOM 486 C GLU A 28 3.677 13.425 -2.044 1.00 0.00 C ATOM 487 O GLU A 28 4.333 14.460 -1.932 1.00 0.00 O ATOM 488 CB GLU A 28 2.583 13.712 0.193 1.00 0.00 C ATOM 489 CG GLU A 28 1.311 14.248 0.830 1.00 0.00 C ATOM 490 CD GLU A 28 1.447 14.442 2.328 1.00 0.00 C ATOM 491 OE1 GLU A 28 2.001 13.544 2.995 1.00 0.00 O ATOM 492 OE2 GLU A 28 0.997 15.493 2.833 1.00 0.00 O ATOM 0 H GLU A 28 2.815 11.183 -1.070 1.00 0.00 H new ATOM 0 HA GLU A 28 1.582 13.788 -1.699 1.00 0.00 H new ATOM 0 HB2 GLU A 28 2.967 12.894 0.802 1.00 0.00 H new ATOM 0 HB3 GLU A 28 3.340 14.496 0.198 1.00 0.00 H new ATOM 0 HG2 GLU A 28 1.050 15.199 0.366 1.00 0.00 H new ATOM 0 HG3 GLU A 28 0.490 13.559 0.629 1.00 0.00 H new ATOM 499 N ARG A 29 4.029 12.420 -2.852 1.00 0.00 N ATOM 500 CA ARG A 29 5.231 12.465 -3.678 1.00 0.00 C ATOM 501 C ARG A 29 4.870 12.380 -5.158 1.00 0.00 C ATOM 502 O ARG A 29 5.304 13.204 -5.963 1.00 0.00 O ATOM 503 CB ARG A 29 6.173 11.316 -3.309 1.00 0.00 C ATOM 504 CG ARG A 29 7.639 11.719 -3.276 1.00 0.00 C ATOM 505 CD ARG A 29 7.938 12.643 -2.107 1.00 0.00 C ATOM 506 NE ARG A 29 8.833 13.733 -2.487 1.00 0.00 N ATOM 507 CZ ARG A 29 10.149 13.594 -2.639 1.00 0.00 C ATOM 508 NH1 ARG A 29 10.726 12.415 -2.442 1.00 0.00 N ATOM 509 NH2 ARG A 29 10.889 14.637 -2.991 1.00 0.00 N ATOM 0 H ARG A 29 3.490 11.559 -2.949 1.00 0.00 H new ATOM 0 HA ARG A 29 5.735 13.414 -3.493 1.00 0.00 H new ATOM 0 HB2 ARG A 29 5.890 10.925 -2.332 1.00 0.00 H new ATOM 0 HB3 ARG A 29 6.043 10.506 -4.027 1.00 0.00 H new ATOM 0 HG2 ARG A 29 8.261 10.827 -3.204 1.00 0.00 H new ATOM 0 HG3 ARG A 29 7.902 12.216 -4.210 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.005 13.057 -1.724 1.00 0.00 H new ATOM 0 HD3 ARG A 29 8.389 12.069 -1.297 1.00 0.00 H new ATOM 0 HE ARG A 29 8.426 14.655 -2.645 1.00 0.00 H new ATOM 0 HH11 ARG A 29 10.161 11.609 -2.173 1.00 0.00 H new ATOM 0 HH12 ARG A 29 11.734 12.315 -2.560 1.00 0.00 H new ATOM 0 HH21 ARG A 29 10.450 15.545 -3.145 1.00 0.00 H new ATOM 0 HH22 ARG A 29 11.897 14.531 -3.108 1.00 0.00 H new ATOM 523 N ARG A 30 4.070 11.376 -5.510 1.00 0.00 N ATOM 524 CA ARG A 30 3.648 11.183 -6.895 1.00 0.00 C ATOM 525 C ARG A 30 2.141 10.936 -6.992 1.00 0.00 C ATOM 526 O ARG A 30 1.629 10.616 -8.065 1.00 0.00 O ATOM 527 CB ARG A 30 4.406 10.012 -7.520 1.00 0.00 C ATOM 528 CG ARG A 30 4.433 8.771 -6.645 1.00 0.00 C ATOM 529 CD ARG A 30 5.734 8.663 -5.867 1.00 0.00 C ATOM 530 NE ARG A 30 6.416 7.394 -6.121 1.00 0.00 N ATOM 531 CZ ARG A 30 7.740 7.245 -6.122 1.00 0.00 C ATOM 532 NH1 ARG A 30 8.537 8.278 -5.874 1.00 0.00 N ATOM 533 NH2 ARG A 30 8.270 6.055 -6.370 1.00 0.00 N ATOM 0 H ARG A 30 3.702 10.685 -4.857 1.00 0.00 H new ATOM 0 HA ARG A 30 3.878 12.097 -7.442 1.00 0.00 H new ATOM 0 HB2 ARG A 30 3.948 9.762 -8.477 1.00 0.00 H new ATOM 0 HB3 ARG A 30 5.430 10.322 -7.728 1.00 0.00 H new ATOM 0 HG2 ARG A 30 3.594 8.797 -5.950 1.00 0.00 H new ATOM 0 HG3 ARG A 30 4.305 7.884 -7.266 1.00 0.00 H new ATOM 0 HD2 ARG A 30 6.390 9.489 -6.140 1.00 0.00 H new ATOM 0 HD3 ARG A 30 5.529 8.758 -4.801 1.00 0.00 H new ATOM 0 HE ARG A 30 5.842 6.572 -6.309 1.00 0.00 H new ATOM 0 HH11 ARG A 30 8.137 9.196 -5.680 1.00 0.00 H new ATOM 0 HH12 ARG A 30 9.549 8.153 -5.877 1.00 0.00 H new ATOM 0 HH21 ARG A 30 7.664 5.256 -6.559 1.00 0.00 H new ATOM 0 HH22 ARG A 30 9.283 5.938 -6.371 1.00 0.00 H new ATOM 547 N ARG A 31 1.436 11.092 -5.875 1.00 0.00 N ATOM 548 CA ARG A 31 -0.010 10.891 -5.849 1.00 0.00 C ATOM 549 C ARG A 31 -0.739 12.117 -6.391 1.00 0.00 C ATOM 550 O ARG A 31 -1.963 12.120 -6.517 1.00 0.00 O ATOM 551 CB ARG A 31 -0.477 10.586 -4.426 1.00 0.00 C ATOM 552 CG ARG A 31 -1.990 10.522 -4.272 1.00 0.00 C ATOM 553 CD ARG A 31 -2.390 10.055 -2.882 1.00 0.00 C ATOM 554 NE ARG A 31 -3.777 10.392 -2.570 1.00 0.00 N ATOM 555 CZ ARG A 31 -4.493 9.787 -1.624 1.00 0.00 C ATOM 556 NH1 ARG A 31 -3.958 8.816 -0.895 1.00 0.00 N ATOM 557 NH2 ARG A 31 -5.748 10.154 -1.409 1.00 0.00 N ATOM 0 H ARG A 31 1.841 11.357 -4.977 1.00 0.00 H new ATOM 0 HA ARG A 31 -0.247 10.041 -6.489 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -0.049 9.634 -4.110 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -0.086 11.350 -3.754 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.418 11.506 -4.463 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.404 9.844 -5.018 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -2.254 8.976 -2.809 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -1.731 10.510 -2.143 1.00 0.00 H new ATOM 0 HE ARG A 31 -4.223 11.134 -3.109 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -2.993 8.529 -1.058 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -4.512 8.357 -0.172 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -6.164 10.899 -1.968 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -6.298 9.692 -0.685 1.00 0.00 H new ATOM 571 N GLN A 32 0.025 13.148 -6.738 1.00 0.00 N ATOM 572 CA GLN A 32 -0.547 14.364 -7.298 1.00 0.00 C ATOM 573 C GLN A 32 -0.429 14.302 -8.807 1.00 0.00 C ATOM 574 O GLN A 32 -1.251 14.851 -9.541 1.00 0.00 O ATOM 575 CB GLN A 32 0.175 15.602 -6.758 1.00 0.00 C ATOM 576 CG GLN A 32 0.473 15.533 -5.269 1.00 0.00 C ATOM 577 CD GLN A 32 -0.781 15.604 -4.419 1.00 0.00 C ATOM 578 OE1 GLN A 32 -1.351 16.676 -4.221 1.00 0.00 O ATOM 579 NE2 GLN A 32 -1.216 14.457 -3.912 1.00 0.00 N ATOM 0 H GLN A 32 1.040 13.164 -6.641 1.00 0.00 H new ATOM 0 HA GLN A 32 -1.596 14.439 -7.010 1.00 0.00 H new ATOM 0 HB2 GLN A 32 1.111 15.732 -7.301 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -0.435 16.483 -6.957 1.00 0.00 H new ATOM 0 HG2 GLN A 32 1.003 14.606 -5.051 1.00 0.00 H new ATOM 0 HG3 GLN A 32 1.139 16.352 -4.997 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -0.711 13.591 -4.102 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -2.055 14.441 -3.332 1.00 0.00 H new ATOM 588 N GLN A 33 0.599 13.595 -9.255 1.00 0.00 N ATOM 589 CA GLN A 33 0.850 13.402 -10.664 1.00 0.00 C ATOM 590 C GLN A 33 -0.219 12.493 -11.252 1.00 0.00 C ATOM 591 O GLN A 33 -0.655 12.677 -12.387 1.00 0.00 O ATOM 592 CB GLN A 33 2.234 12.789 -10.853 1.00 0.00 C ATOM 593 CG GLN A 33 2.526 12.382 -12.278 1.00 0.00 C ATOM 594 CD GLN A 33 2.108 10.955 -12.579 1.00 0.00 C ATOM 595 OE1 GLN A 33 2.810 10.005 -12.235 1.00 0.00 O ATOM 596 NE2 GLN A 33 0.956 10.797 -13.226 1.00 0.00 N ATOM 0 H GLN A 33 1.280 13.141 -8.646 1.00 0.00 H new ATOM 0 HA GLN A 33 0.816 14.362 -11.180 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.987 13.506 -10.527 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.326 11.915 -10.208 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.008 13.059 -12.958 1.00 0.00 H new ATOM 0 HG3 GLN A 33 3.593 12.492 -12.471 1.00 0.00 H new ATOM 0 HE21 GLN A 33 0.405 11.613 -13.493 1.00 0.00 H new ATOM 0 HE22 GLN A 33 0.624 9.860 -13.455 1.00 0.00 H new ATOM 605 N LEU A 34 -0.656 11.528 -10.451 1.00 0.00 N ATOM 606 CA LEU A 34 -1.697 10.609 -10.868 1.00 0.00 C ATOM 607 C LEU A 34 -2.988 11.384 -11.034 1.00 0.00 C ATOM 608 O LEU A 34 -3.532 11.493 -12.131 1.00 0.00 O ATOM 609 CB LEU A 34 -1.898 9.522 -9.817 1.00 0.00 C ATOM 610 CG LEU A 34 -1.199 8.188 -10.083 1.00 0.00 C ATOM 611 CD1 LEU A 34 -0.671 7.608 -8.779 1.00 0.00 C ATOM 612 CD2 LEU A 34 -2.151 7.206 -10.756 1.00 0.00 C ATOM 0 H LEU A 34 -0.302 11.365 -9.508 1.00 0.00 H new ATOM 0 HA LEU A 34 -1.408 10.140 -11.808 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -1.551 9.905 -8.857 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -2.967 9.335 -9.718 1.00 0.00 H new ATOM 0 HG LEU A 34 -0.360 8.363 -10.756 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -0.175 6.658 -8.978 1.00 0.00 H new ATOM 0 HD12 LEU A 34 0.041 8.303 -8.334 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -1.500 7.447 -8.090 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -1.634 6.264 -10.936 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -3.010 7.030 -10.109 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -2.491 7.621 -11.705 1.00 0.00 H new ATOM 624 N SER A 35 -3.464 11.928 -9.916 1.00 0.00 N ATOM 625 CA SER A 35 -4.684 12.712 -9.889 1.00 0.00 C ATOM 626 C SER A 35 -4.791 13.629 -11.113 1.00 0.00 C ATOM 627 O SER A 35 -5.889 13.923 -11.585 1.00 0.00 O ATOM 628 CB SER A 35 -4.729 13.559 -8.614 1.00 0.00 C ATOM 629 OG SER A 35 -5.995 14.174 -8.451 1.00 0.00 O ATOM 0 H SER A 35 -3.011 11.834 -9.007 1.00 0.00 H new ATOM 0 HA SER A 35 -5.525 12.019 -9.907 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.513 12.931 -7.750 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.953 14.323 -8.655 1.00 0.00 H new ATOM 0 HG SER A 35 -6.625 13.803 -9.103 1.00 0.00 H new ATOM 635 N SER A 36 -3.642 14.088 -11.611 1.00 0.00 N ATOM 636 CA SER A 36 -3.609 14.983 -12.765 1.00 0.00 C ATOM 637 C SER A 36 -3.661 14.215 -14.085 1.00 0.00 C ATOM 638 O SER A 36 -4.282 14.667 -15.047 1.00 0.00 O ATOM 639 CB SER A 36 -2.352 15.854 -12.720 1.00 0.00 C ATOM 640 OG SER A 36 -2.637 17.136 -12.187 1.00 0.00 O ATOM 0 H SER A 36 -2.724 13.854 -11.233 1.00 0.00 H new ATOM 0 HA SER A 36 -4.495 15.616 -12.714 1.00 0.00 H new ATOM 0 HB2 SER A 36 -1.589 15.366 -12.113 1.00 0.00 H new ATOM 0 HB3 SER A 36 -1.942 15.958 -13.725 1.00 0.00 H new ATOM 0 HG SER A 36 -1.817 17.672 -12.168 1.00 0.00 H new ATOM 646 N GLU A 37 -3.005 13.059 -14.135 1.00 0.00 N ATOM 647 CA GLU A 37 -2.983 12.248 -15.349 1.00 0.00 C ATOM 648 C GLU A 37 -4.211 11.345 -15.428 1.00 0.00 C ATOM 649 O GLU A 37 -4.567 10.855 -16.499 1.00 0.00 O ATOM 650 CB GLU A 37 -1.708 11.402 -15.399 1.00 0.00 C ATOM 651 CG GLU A 37 -0.620 11.996 -16.278 1.00 0.00 C ATOM 652 CD GLU A 37 -0.633 11.428 -17.685 1.00 0.00 C ATOM 653 OE1 GLU A 37 -1.732 11.116 -18.188 1.00 0.00 O ATOM 654 OE2 GLU A 37 0.456 11.297 -18.281 1.00 0.00 O ATOM 0 H GLU A 37 -2.484 12.664 -13.353 1.00 0.00 H new ATOM 0 HA GLU A 37 -2.998 12.923 -16.205 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -1.321 11.282 -14.387 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -1.957 10.406 -15.765 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -0.746 13.078 -16.325 1.00 0.00 H new ATOM 0 HG3 GLU A 37 0.353 11.808 -15.823 1.00 0.00 H new ATOM 661 N LEU A 38 -4.850 11.130 -14.285 1.00 0.00 N ATOM 662 CA LEU A 38 -6.035 10.288 -14.212 1.00 0.00 C ATOM 663 C LEU A 38 -7.263 11.039 -14.710 1.00 0.00 C ATOM 664 O LEU A 38 -8.024 10.535 -15.537 1.00 0.00 O ATOM 665 CB LEU A 38 -6.266 9.844 -12.768 1.00 0.00 C ATOM 666 CG LEU A 38 -5.552 8.562 -12.346 1.00 0.00 C ATOM 667 CD1 LEU A 38 -6.002 7.391 -13.199 1.00 0.00 C ATOM 668 CD2 LEU A 38 -4.048 8.738 -12.429 1.00 0.00 C ATOM 0 H LEU A 38 -4.564 11.530 -13.391 1.00 0.00 H new ATOM 0 HA LEU A 38 -5.875 9.416 -14.846 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -5.950 10.649 -12.105 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -7.337 9.708 -12.616 1.00 0.00 H new ATOM 0 HG LEU A 38 -5.816 8.349 -11.310 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -5.481 6.488 -12.881 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.077 7.249 -13.084 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.772 7.593 -14.245 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -3.556 7.814 -12.125 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -3.766 8.979 -13.454 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -3.739 9.548 -11.768 1.00 0.00 H new ATOM 680 N GLY A 39 -7.454 12.243 -14.185 1.00 0.00 N ATOM 681 CA GLY A 39 -8.595 13.050 -14.564 1.00 0.00 C ATOM 682 C GLY A 39 -9.660 13.063 -13.484 1.00 0.00 C ATOM 683 O GLY A 39 -10.826 13.348 -13.754 1.00 0.00 O ATOM 0 H GLY A 39 -6.835 12.676 -13.500 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -8.268 14.070 -14.764 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -9.021 12.664 -15.490 1.00 0.00 H new ATOM 687 N LEU A 40 -9.253 12.750 -12.256 1.00 0.00 N ATOM 688 CA LEU A 40 -10.174 12.721 -11.126 1.00 0.00 C ATOM 689 C LEU A 40 -9.914 13.881 -10.178 1.00 0.00 C ATOM 690 O LEU A 40 -9.298 14.880 -10.548 1.00 0.00 O ATOM 691 CB LEU A 40 -10.067 11.396 -10.362 1.00 0.00 C ATOM 692 CG LEU A 40 -9.074 10.377 -10.903 1.00 0.00 C ATOM 693 CD1 LEU A 40 -7.685 10.652 -10.352 1.00 0.00 C ATOM 694 CD2 LEU A 40 -9.535 8.993 -10.511 1.00 0.00 C ATOM 0 H LEU A 40 -8.290 12.513 -12.019 1.00 0.00 H new ATOM 0 HA LEU A 40 -11.183 12.815 -11.527 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -9.799 11.619 -9.329 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -11.054 10.933 -10.342 1.00 0.00 H new ATOM 0 HG LEU A 40 -9.026 10.450 -11.989 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.985 9.916 -10.747 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.367 11.651 -10.649 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.705 10.586 -9.264 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -8.831 8.253 -10.893 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -9.584 8.920 -9.425 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -10.523 8.806 -10.932 1.00 0.00 H new ATOM 706 N ASN A 41 -10.396 13.736 -8.953 1.00 0.00 N ATOM 707 CA ASN A 41 -10.227 14.772 -7.938 1.00 0.00 C ATOM 708 C ASN A 41 -9.473 14.240 -6.712 1.00 0.00 C ATOM 709 O ASN A 41 -8.246 14.132 -6.737 1.00 0.00 O ATOM 710 CB ASN A 41 -11.589 15.358 -7.546 1.00 0.00 C ATOM 711 CG ASN A 41 -11.492 16.355 -6.408 1.00 0.00 C ATOM 712 OD1 ASN A 41 -10.774 17.351 -6.498 1.00 0.00 O ATOM 713 ND2 ASN A 41 -12.218 16.091 -5.327 1.00 0.00 N ATOM 0 H ASN A 41 -10.907 12.913 -8.635 1.00 0.00 H new ATOM 0 HA ASN A 41 -9.620 15.571 -8.364 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -12.033 15.846 -8.414 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -12.259 14.548 -7.258 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -12.194 16.726 -4.529 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -12.799 15.254 -5.295 1.00 0.00 H new ATOM 720 N GLU A 42 -10.196 13.920 -5.638 1.00 0.00 N ATOM 721 CA GLU A 42 -9.566 13.418 -4.421 1.00 0.00 C ATOM 722 C GLU A 42 -10.235 12.138 -3.932 1.00 0.00 C ATOM 723 O GLU A 42 -9.561 11.192 -3.526 1.00 0.00 O ATOM 724 CB GLU A 42 -9.618 14.484 -3.325 1.00 0.00 C ATOM 725 CG GLU A 42 -8.414 15.412 -3.319 1.00 0.00 C ATOM 726 CD GLU A 42 -7.419 15.070 -2.228 1.00 0.00 C ATOM 727 OE1 GLU A 42 -7.854 14.597 -1.157 1.00 0.00 O ATOM 728 OE2 GLU A 42 -6.206 15.275 -2.443 1.00 0.00 O ATOM 0 H GLU A 42 -11.212 13.999 -5.588 1.00 0.00 H new ATOM 0 HA GLU A 42 -8.527 13.187 -4.655 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -10.523 15.078 -3.451 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -9.692 13.992 -2.355 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.917 15.362 -4.288 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -8.753 16.440 -3.187 1.00 0.00 H new ATOM 735 N ALA A 43 -11.565 12.110 -3.971 1.00 0.00 N ATOM 736 CA ALA A 43 -12.316 10.940 -3.529 1.00 0.00 C ATOM 737 C ALA A 43 -12.212 9.791 -4.527 1.00 0.00 C ATOM 738 O ALA A 43 -12.735 8.704 -4.286 1.00 0.00 O ATOM 739 CB ALA A 43 -13.773 11.295 -3.303 1.00 0.00 C ATOM 0 H ALA A 43 -12.143 12.882 -4.303 1.00 0.00 H new ATOM 0 HA ALA A 43 -11.876 10.611 -2.588 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -14.316 10.409 -2.974 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -13.845 12.069 -2.539 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -14.207 11.662 -4.233 1.00 0.00 H new ATOM 745 N GLN A 44 -11.529 10.029 -5.640 1.00 0.00 N ATOM 746 CA GLN A 44 -11.352 9.006 -6.658 1.00 0.00 C ATOM 747 C GLN A 44 -9.925 8.484 -6.614 1.00 0.00 C ATOM 748 O GLN A 44 -9.649 7.361 -7.032 1.00 0.00 O ATOM 749 CB GLN A 44 -11.668 9.547 -8.055 1.00 0.00 C ATOM 750 CG GLN A 44 -13.079 10.101 -8.203 1.00 0.00 C ATOM 751 CD GLN A 44 -13.336 11.334 -7.354 1.00 0.00 C ATOM 752 OE1 GLN A 44 -14.476 11.615 -6.985 1.00 0.00 O ATOM 753 NE2 GLN A 44 -12.280 12.078 -7.039 1.00 0.00 N ATOM 0 H GLN A 44 -11.089 10.923 -5.859 1.00 0.00 H new ATOM 0 HA GLN A 44 -12.048 8.193 -6.449 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -10.953 10.333 -8.299 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -11.524 8.749 -8.783 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -13.257 10.347 -9.250 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -13.796 9.326 -7.931 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -11.352 11.810 -7.365 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -12.398 12.917 -6.471 1.00 0.00 H new ATOM 762 N ILE A 45 -9.020 9.303 -6.079 1.00 0.00 N ATOM 763 CA ILE A 45 -7.634 8.928 -5.950 1.00 0.00 C ATOM 764 C ILE A 45 -7.530 7.650 -5.153 1.00 0.00 C ATOM 765 O ILE A 45 -7.074 6.625 -5.652 1.00 0.00 O ATOM 766 CB ILE A 45 -6.836 10.051 -5.253 1.00 0.00 C ATOM 767 CG1 ILE A 45 -7.000 11.356 -6.020 1.00 0.00 C ATOM 768 CG2 ILE A 45 -5.366 9.691 -5.156 1.00 0.00 C ATOM 769 CD1 ILE A 45 -6.392 11.284 -7.395 1.00 0.00 C ATOM 0 H ILE A 45 -9.236 10.236 -5.729 1.00 0.00 H new ATOM 0 HA ILE A 45 -7.215 8.771 -6.944 1.00 0.00 H new ATOM 0 HB ILE A 45 -7.227 10.173 -4.243 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -8.060 11.596 -6.105 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -6.534 12.166 -5.460 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.826 10.498 -4.661 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -5.254 8.773 -4.580 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -4.961 9.543 -6.157 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.533 12.237 -7.905 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.326 11.071 -7.311 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -6.876 10.492 -7.966 1.00 0.00 H new ATOM 781 N LYS A 46 -7.996 7.717 -3.918 1.00 0.00 N ATOM 782 CA LYS A 46 -7.986 6.558 -3.039 1.00 0.00 C ATOM 783 C LYS A 46 -8.781 5.405 -3.652 1.00 0.00 C ATOM 784 O LYS A 46 -8.691 4.265 -3.196 1.00 0.00 O ATOM 785 CB LYS A 46 -8.568 6.927 -1.671 1.00 0.00 C ATOM 786 CG LYS A 46 -7.700 6.487 -0.504 1.00 0.00 C ATOM 787 CD LYS A 46 -8.382 6.749 0.829 1.00 0.00 C ATOM 788 CE LYS A 46 -8.465 8.236 1.132 1.00 0.00 C ATOM 789 NZ LYS A 46 -7.261 8.723 1.860 1.00 0.00 N ATOM 0 H LYS A 46 -8.386 8.562 -3.500 1.00 0.00 H new ATOM 0 HA LYS A 46 -6.953 6.235 -2.911 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -8.707 8.007 -1.623 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -9.554 6.474 -1.571 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -7.476 5.424 -0.596 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -6.748 7.017 -0.537 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -9.385 6.323 0.815 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -7.833 6.245 1.625 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -8.575 8.791 0.200 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -9.355 8.436 1.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -7.357 9.741 2.048 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -7.170 8.212 2.761 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -6.414 8.556 1.280 1.00 0.00 H new ATOM 803 N ILE A 47 -9.587 5.717 -4.667 1.00 0.00 N ATOM 804 CA ILE A 47 -10.427 4.720 -5.315 1.00 0.00 C ATOM 805 C ILE A 47 -9.681 3.830 -6.319 1.00 0.00 C ATOM 806 O ILE A 47 -10.005 2.648 -6.430 1.00 0.00 O ATOM 807 CB ILE A 47 -11.641 5.400 -5.999 1.00 0.00 C ATOM 808 CG1 ILE A 47 -12.863 5.320 -5.088 1.00 0.00 C ATOM 809 CG2 ILE A 47 -11.948 4.794 -7.362 1.00 0.00 C ATOM 810 CD1 ILE A 47 -12.675 6.057 -3.784 1.00 0.00 C ATOM 0 H ILE A 47 -9.673 6.656 -5.056 1.00 0.00 H new ATOM 0 HA ILE A 47 -10.769 4.056 -4.521 1.00 0.00 H new ATOM 0 HB ILE A 47 -11.383 6.446 -6.167 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -13.727 5.732 -5.610 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -13.086 4.274 -4.879 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -12.806 5.303 -7.802 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -11.083 4.910 -8.015 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -12.175 3.734 -7.246 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -13.577 5.964 -3.180 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -11.830 5.630 -3.243 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -12.481 7.110 -3.986 1.00 0.00 H new ATOM 822 N TRP A 48 -8.708 4.359 -7.066 1.00 0.00 N ATOM 823 CA TRP A 48 -8.021 3.496 -8.032 1.00 0.00 C ATOM 824 C TRP A 48 -6.980 2.601 -7.358 1.00 0.00 C ATOM 825 O TRP A 48 -6.741 1.487 -7.824 1.00 0.00 O ATOM 826 CB TRP A 48 -7.404 4.255 -9.217 1.00 0.00 C ATOM 827 CG TRP A 48 -7.127 5.700 -8.986 1.00 0.00 C ATOM 828 CD1 TRP A 48 -8.013 6.729 -9.039 1.00 0.00 C ATOM 829 CD2 TRP A 48 -5.860 6.274 -8.703 1.00 0.00 C ATOM 830 NE1 TRP A 48 -7.371 7.914 -8.792 1.00 0.00 N ATOM 831 CE2 TRP A 48 -6.044 7.657 -8.578 1.00 0.00 C ATOM 832 CE3 TRP A 48 -4.589 5.746 -8.535 1.00 0.00 C ATOM 833 CZ2 TRP A 48 -4.993 8.518 -8.291 1.00 0.00 C ATOM 834 CZ3 TRP A 48 -3.550 6.596 -8.250 1.00 0.00 C ATOM 835 CH2 TRP A 48 -3.758 7.971 -8.128 1.00 0.00 C ATOM 0 H TRP A 48 -8.390 5.327 -7.028 1.00 0.00 H new ATOM 0 HA TRP A 48 -8.803 2.862 -8.450 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -6.470 3.765 -9.492 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -8.075 4.165 -10.071 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -9.068 6.628 -9.245 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -7.809 8.835 -8.771 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -4.419 4.683 -8.627 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -5.150 9.583 -8.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -2.556 6.195 -8.118 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -2.921 8.614 -7.899 1.00 0.00 H new ATOM 846 N PHE A 49 -6.380 3.049 -6.250 1.00 0.00 N ATOM 847 CA PHE A 49 -5.407 2.201 -5.559 1.00 0.00 C ATOM 848 C PHE A 49 -6.132 1.025 -4.922 1.00 0.00 C ATOM 849 O PHE A 49 -5.665 -0.112 -4.982 1.00 0.00 O ATOM 850 CB PHE A 49 -4.623 2.939 -4.467 1.00 0.00 C ATOM 851 CG PHE A 49 -4.218 4.336 -4.804 1.00 0.00 C ATOM 852 CD1 PHE A 49 -3.012 4.593 -5.430 1.00 0.00 C ATOM 853 CD2 PHE A 49 -5.033 5.392 -4.469 1.00 0.00 C ATOM 854 CE1 PHE A 49 -2.634 5.887 -5.719 1.00 0.00 C ATOM 855 CE2 PHE A 49 -4.665 6.681 -4.752 1.00 0.00 C ATOM 856 CZ PHE A 49 -3.466 6.938 -5.379 1.00 0.00 C ATOM 0 H PHE A 49 -6.543 3.962 -5.825 1.00 0.00 H new ATOM 0 HA PHE A 49 -4.689 1.873 -6.310 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.229 2.963 -3.561 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -3.726 2.364 -4.236 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.361 3.773 -5.695 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -5.975 5.203 -3.976 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.691 6.079 -6.209 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -5.317 7.498 -4.482 1.00 0.00 H new ATOM 0 HZ PHE A 49 -3.177 7.954 -5.604 1.00 0.00 H new ATOM 866 N GLN A 50 -7.289 1.306 -4.317 1.00 0.00 N ATOM 867 CA GLN A 50 -8.078 0.259 -3.681 1.00 0.00 C ATOM 868 C GLN A 50 -8.490 -0.782 -4.714 1.00 0.00 C ATOM 869 O GLN A 50 -8.661 -1.960 -4.396 1.00 0.00 O ATOM 870 CB GLN A 50 -9.315 0.850 -3.000 1.00 0.00 C ATOM 871 CG GLN A 50 -10.298 1.485 -3.966 1.00 0.00 C ATOM 872 CD GLN A 50 -11.655 1.736 -3.338 1.00 0.00 C ATOM 873 OE1 GLN A 50 -12.608 0.992 -3.572 1.00 0.00 O ATOM 874 NE2 GLN A 50 -11.751 2.790 -2.535 1.00 0.00 N ATOM 0 H GLN A 50 -7.693 2.241 -4.256 1.00 0.00 H new ATOM 0 HA GLN A 50 -7.466 -0.221 -2.918 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -9.823 0.063 -2.443 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -8.997 1.599 -2.275 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -9.889 2.429 -4.327 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -10.418 0.837 -4.834 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -10.936 3.380 -2.369 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -12.640 3.009 -2.085 1.00 0.00 H new ATOM 883 N ASN A 51 -8.627 -0.340 -5.960 1.00 0.00 N ATOM 884 CA ASN A 51 -8.993 -1.227 -7.052 1.00 0.00 C ATOM 885 C ASN A 51 -7.740 -1.819 -7.687 1.00 0.00 C ATOM 886 O ASN A 51 -7.769 -2.926 -8.228 1.00 0.00 O ATOM 887 CB ASN A 51 -9.811 -0.474 -8.102 1.00 0.00 C ATOM 888 CG ASN A 51 -11.304 -0.649 -7.906 1.00 0.00 C ATOM 889 OD1 ASN A 51 -11.790 -1.762 -7.705 1.00 0.00 O ATOM 890 ND2 ASN A 51 -12.041 0.454 -7.963 1.00 0.00 N ATOM 0 H ASN A 51 -8.489 0.632 -6.237 1.00 0.00 H new ATOM 0 HA ASN A 51 -9.604 -2.037 -6.653 1.00 0.00 H new ATOM 0 HB2 ASN A 51 -9.564 0.587 -8.059 1.00 0.00 H new ATOM 0 HB3 ASN A 51 -9.534 -0.826 -9.096 1.00 0.00 H new ATOM 0 HD21 ASN A 51 -13.052 0.399 -7.838 1.00 0.00 H new ATOM 0 HD22 ASN A 51 -11.596 1.356 -8.132 1.00 0.00 H new