USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 637 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: B 57 GLN : amide:sc= 0.205 K(o=0.39,f=-0.68) USER MOD Set 1.2: B 88 GLN : amide:sc= 0.185 K(o=0.39,f=-1.1) USER MOD Single : B 17 HIS : no HD1:sc= -3.39! C(o=-3.4!,f=-3.7!) USER MOD Single : B 19 ASN : amide:sc= 0.0119 X(o=0.012,f=-0.0074) USER MOD Single : B 21 LYS NZ :NH3+ 155:sc= 1.1 (180deg=0.685) USER MOD Single : B 25 GLN : amide:sc= 0.635 K(o=0.64,f=-0.21) USER MOD Single : B 28 SER OG : rot -69:sc= 1.08 USER MOD Single : B 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 37 HIS : no HD1:sc= 0.0734 K(o=0.073,f=-1) USER MOD Single : B 38 THR OG1 : rot -160:sc= 0.0273 USER MOD Single : B 41 SER OG : rot 180:sc= -0.0274 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 MET CE :methyl -166:sc= -0.025 (180deg=-0.409) USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 47 TYR OH : rot 180:sc= 0 USER MOD Single : B 48 CYS SG : rot -22:sc= -0.0411 USER MOD Single : B 51 GLN : amide:sc= -0.0072 X(o=-0.0072,f=-0.0052) USER MOD Single : B 54 SER OG : rot 180:sc= 0 USER MOD Single : B 55 MET CE :methyl 154:sc= 0 (180deg=-0.0255) USER MOD Single : B 65 GLN : amide:sc= 0 X(o=0,f=-0.19) USER MOD Single : B 68 ASN : amide:sc= 0.0616 X(o=0.062,f=0) USER MOD Single : B 70 THR OG1 : rot 180:sc= -0.226 USER MOD Single : B 72 THR OG1 : rot 180:sc= 0.0529 USER MOD Single : B 75 GLN : amide:sc= 0 X(o=0,f=-0.06) USER MOD Single : B 78 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 83 THR OG1 : rot 180:sc= 0 USER MOD Single : B 89 GLN : amide:sc= -0.542 X(o=-0.54,f=-0.84) USER MOD ----------------------------------------------------------------- ATOM 22 N ASP A 38 12.196 12.881 -45.144 1.00 0.00 N ATOM 23 CA ASP A 38 13.381 12.026 -45.077 1.00 0.00 C ATOM 24 C ASP A 38 14.052 12.018 -43.682 1.00 0.00 C ATOM 25 O ASP A 38 15.217 11.661 -43.448 1.00 0.00 O ATOM 26 CB ASP A 38 14.293 12.396 -46.291 1.00 0.00 C ATOM 27 CG ASP A 38 15.641 11.509 -46.379 1.00 0.00 C ATOM 28 OD1 ASP A 38 15.582 10.250 -46.253 1.00 0.00 O ATOM 29 OD2 ASP A 38 16.719 12.173 -46.522 1.00 0.00 O ATOM 0 HA ASP A 38 13.114 10.974 -45.178 1.00 0.00 H new ATOM 0 HB2 ASP A 38 13.725 12.272 -47.213 1.00 0.00 H new ATOM 0 HB3 ASP A 38 14.565 13.449 -46.223 1.00 0.00 H new ATOM 34 N ALA A 39 13.364 12.443 -42.642 1.00 0.00 N ATOM 35 CA ALA A 39 13.862 12.713 -41.308 1.00 0.00 C ATOM 36 C ALA A 39 13.935 11.509 -40.487 1.00 0.00 C ATOM 37 O ALA A 39 13.539 11.424 -39.333 1.00 0.00 O ATOM 38 CB ALA A 39 12.990 13.852 -40.679 1.00 0.00 C ATOM 0 H ALA A 39 12.363 12.623 -42.713 1.00 0.00 H new ATOM 0 HA ALA A 39 14.895 13.058 -41.361 1.00 0.00 H new ATOM 0 HB1 ALA A 39 13.348 14.071 -39.673 1.00 0.00 H new ATOM 0 HB2 ALA A 39 13.064 14.749 -41.294 1.00 0.00 H new ATOM 0 HB3 ALA A 39 11.950 13.530 -40.631 1.00 0.00 H new ATOM 44 N PHE A 40 14.410 10.376 -41.060 1.00 0.00 N ATOM 45 CA PHE A 40 14.253 9.046 -40.492 1.00 0.00 C ATOM 46 C PHE A 40 15.470 8.161 -40.790 1.00 0.00 C ATOM 47 O PHE A 40 15.848 8.118 -41.965 1.00 0.00 O ATOM 48 CB PHE A 40 12.985 8.460 -40.944 1.00 0.00 C ATOM 49 CG PHE A 40 12.320 7.545 -39.937 1.00 0.00 C ATOM 50 CD1 PHE A 40 12.520 6.201 -39.989 1.00 0.00 C ATOM 51 CD2 PHE A 40 11.324 8.111 -39.109 1.00 0.00 C ATOM 52 CE1 PHE A 40 11.762 5.413 -39.101 1.00 0.00 C ATOM 53 CE2 PHE A 40 10.512 7.342 -38.200 1.00 0.00 C ATOM 54 CZ PHE A 40 10.782 5.985 -38.244 1.00 0.00 C ATOM 0 H PHE A 40 14.919 10.378 -41.944 1.00 0.00 H new ATOM 0 HA PHE A 40 14.207 9.121 -39.406 1.00 0.00 H new ATOM 0 HB2 PHE A 40 12.295 9.266 -41.194 1.00 0.00 H new ATOM 0 HB3 PHE A 40 13.165 7.899 -41.861 1.00 0.00 H new ATOM 0 HD1 PHE A 40 13.225 5.759 -40.677 1.00 0.00 H new ATOM 0 HD2 PHE A 40 11.163 9.178 -39.160 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.930 4.347 -39.070 1.00 0.00 H new ATOM 0 HE2 PHE A 40 9.768 7.780 -37.551 1.00 0.00 H new ATOM 0 HZ PHE A 40 10.221 5.328 -37.596 1.00 0.00 H new ATOM 64 N ILE A 41 16.065 7.584 -39.755 1.00 0.00 N ATOM 65 CA ILE A 41 17.263 6.666 -39.790 1.00 0.00 C ATOM 66 C ILE A 41 16.905 5.494 -38.852 1.00 0.00 C ATOM 67 O ILE A 41 16.309 5.601 -37.792 1.00 0.00 O ATOM 68 CB ILE A 41 18.621 7.346 -39.464 1.00 0.00 C ATOM 69 CG1 ILE A 41 18.916 8.647 -40.168 1.00 0.00 C ATOM 70 CG2 ILE A 41 19.658 6.304 -39.775 1.00 0.00 C ATOM 71 CD1 ILE A 41 18.389 9.930 -39.530 1.00 0.00 C ATOM 0 H ILE A 41 15.729 7.733 -38.803 1.00 0.00 H new ATOM 0 HA ILE A 41 17.446 6.320 -40.807 1.00 0.00 H new ATOM 0 HB ILE A 41 18.607 7.663 -38.421 1.00 0.00 H new ATOM 0 HG12 ILE A 41 19.998 8.739 -40.264 1.00 0.00 H new ATOM 0 HG13 ILE A 41 18.510 8.582 -41.178 1.00 0.00 H new ATOM 0 HG21 ILE A 41 20.650 6.706 -39.571 1.00 0.00 H new ATOM 0 HG22 ILE A 41 19.488 5.425 -39.154 1.00 0.00 H new ATOM 0 HG23 ILE A 41 19.589 6.024 -40.826 1.00 0.00 H new ATOM 0 HD11 ILE A 41 18.675 10.785 -40.143 1.00 0.00 H new ATOM 0 HD12 ILE A 41 17.302 9.881 -39.459 1.00 0.00 H new ATOM 0 HD13 ILE A 41 18.813 10.041 -38.532 1.00 0.00 H new ATOM 83 N VAL A 42 17.402 4.348 -39.188 1.00 0.00 N ATOM 84 CA VAL A 42 17.006 3.055 -38.576 1.00 0.00 C ATOM 85 C VAL A 42 18.169 2.116 -38.504 1.00 0.00 C ATOM 86 O VAL A 42 18.862 1.862 -39.483 1.00 0.00 O ATOM 87 CB VAL A 42 15.853 2.507 -39.458 1.00 0.00 C ATOM 88 CG1 VAL A 42 15.136 1.451 -38.607 1.00 0.00 C ATOM 89 CG2 VAL A 42 14.786 3.453 -40.027 1.00 0.00 C ATOM 0 H VAL A 42 18.115 4.248 -39.911 1.00 0.00 H new ATOM 0 HA VAL A 42 16.673 3.176 -37.545 1.00 0.00 H new ATOM 0 HB VAL A 42 16.357 2.169 -40.363 1.00 0.00 H new ATOM 0 HG11 VAL A 42 14.309 1.025 -39.176 1.00 0.00 H new ATOM 0 HG12 VAL A 42 15.838 0.661 -38.340 1.00 0.00 H new ATOM 0 HG13 VAL A 42 14.751 1.915 -37.699 1.00 0.00 H new ATOM 0 HG21 VAL A 42 14.069 2.881 -40.615 1.00 0.00 H new ATOM 0 HG22 VAL A 42 14.268 3.952 -39.208 1.00 0.00 H new ATOM 0 HG23 VAL A 42 15.263 4.199 -40.662 1.00 0.00 H new ATOM 99 N ILE A 43 18.464 1.533 -37.317 1.00 0.00 N ATOM 100 CA ILE A 43 19.686 0.695 -36.977 1.00 0.00 C ATOM 101 C ILE A 43 19.312 -0.403 -35.961 1.00 0.00 C ATOM 102 O ILE A 43 18.499 -0.213 -35.045 1.00 0.00 O ATOM 103 CB ILE A 43 20.932 1.595 -36.500 1.00 0.00 C ATOM 104 CG1 ILE A 43 21.431 2.585 -37.547 1.00 0.00 C ATOM 105 CG2 ILE A 43 21.965 0.720 -35.854 1.00 0.00 C ATOM 106 CD1 ILE A 43 22.306 3.733 -37.051 1.00 0.00 C ATOM 0 H ILE A 43 17.838 1.627 -36.517 1.00 0.00 H new ATOM 0 HA ILE A 43 20.024 0.200 -37.887 1.00 0.00 H new ATOM 0 HB ILE A 43 20.594 2.285 -35.727 1.00 0.00 H new ATOM 0 HG12 ILE A 43 21.993 2.030 -38.298 1.00 0.00 H new ATOM 0 HG13 ILE A 43 20.564 3.013 -38.050 1.00 0.00 H new ATOM 0 HG21 ILE A 43 22.808 1.330 -35.531 1.00 0.00 H new ATOM 0 HG22 ILE A 43 21.528 0.219 -34.990 1.00 0.00 H new ATOM 0 HG23 ILE A 43 22.310 -0.026 -36.570 1.00 0.00 H new ATOM 0 HD11 ILE A 43 22.593 4.362 -37.894 1.00 0.00 H new ATOM 0 HD12 ILE A 43 21.750 4.328 -36.327 1.00 0.00 H new ATOM 0 HD13 ILE A 43 23.202 3.330 -36.578 1.00 0.00 H new ATOM 439 N HIS B 17 10.791 -0.755 -29.739 1.00 0.00 N ATOM 440 CA HIS B 17 11.930 0.101 -30.028 1.00 0.00 C ATOM 441 C HIS B 17 11.942 1.448 -29.206 1.00 0.00 C ATOM 442 O HIS B 17 10.897 1.856 -28.778 1.00 0.00 O ATOM 443 CB HIS B 17 12.006 0.434 -31.544 1.00 0.00 C ATOM 444 CG HIS B 17 12.092 -0.834 -32.370 1.00 0.00 C ATOM 445 ND1 HIS B 17 11.004 -1.653 -32.729 1.00 0.00 N ATOM 446 CD2 HIS B 17 13.187 -1.526 -32.768 1.00 0.00 C ATOM 447 CE1 HIS B 17 11.436 -2.795 -33.245 1.00 0.00 C ATOM 448 NE2 HIS B 17 12.792 -2.684 -33.337 1.00 0.00 N ATOM 0 HA HIS B 17 12.803 -0.474 -29.721 1.00 0.00 H new ATOM 0 HB2 HIS B 17 11.127 1.007 -31.840 1.00 0.00 H new ATOM 0 HB3 HIS B 17 12.876 1.061 -31.740 1.00 0.00 H new ATOM 0 HD2 HIS B 17 14.211 -1.203 -32.649 1.00 0.00 H new ATOM 0 HE1 HIS B 17 10.834 -3.644 -33.535 1.00 0.00 H new ATOM 0 HE2 HIS B 17 13.411 -3.370 -33.769 1.00 0.00 H new ATOM 456 N ILE B 18 13.136 2.002 -29.117 1.00 0.00 N ATOM 457 CA ILE B 18 13.272 3.345 -28.735 1.00 0.00 C ATOM 458 C ILE B 18 13.496 4.316 -29.903 1.00 0.00 C ATOM 459 O ILE B 18 14.063 3.963 -30.952 1.00 0.00 O ATOM 460 CB ILE B 18 14.359 3.565 -27.645 1.00 0.00 C ATOM 461 CG1 ILE B 18 14.247 4.976 -27.059 1.00 0.00 C ATOM 462 CG2 ILE B 18 15.787 3.316 -28.172 1.00 0.00 C ATOM 463 CD1 ILE B 18 14.933 5.364 -25.766 1.00 0.00 C ATOM 0 H ILE B 18 14.013 1.519 -29.310 1.00 0.00 H new ATOM 0 HA ILE B 18 12.300 3.583 -28.303 1.00 0.00 H new ATOM 0 HB ILE B 18 14.176 2.831 -26.861 1.00 0.00 H new ATOM 0 HG12 ILE B 18 14.607 5.664 -27.824 1.00 0.00 H new ATOM 0 HG13 ILE B 18 13.184 5.177 -26.924 1.00 0.00 H new ATOM 0 HG21 ILE B 18 16.505 3.484 -27.370 1.00 0.00 H new ATOM 0 HG22 ILE B 18 15.871 2.288 -28.525 1.00 0.00 H new ATOM 0 HG23 ILE B 18 15.996 4.000 -28.995 1.00 0.00 H new ATOM 0 HD11 ILE B 18 14.719 6.408 -25.540 1.00 0.00 H new ATOM 0 HD12 ILE B 18 14.565 4.734 -24.956 1.00 0.00 H new ATOM 0 HD13 ILE B 18 16.010 5.229 -25.870 1.00 0.00 H new ATOM 475 N ASN B 19 12.894 5.507 -29.785 1.00 0.00 N ATOM 476 CA ASN B 19 12.893 6.561 -30.780 1.00 0.00 C ATOM 477 C ASN B 19 13.482 7.986 -30.359 1.00 0.00 C ATOM 478 O ASN B 19 12.911 8.592 -29.433 1.00 0.00 O ATOM 479 CB ASN B 19 11.508 6.683 -31.440 1.00 0.00 C ATOM 480 CG ASN B 19 10.988 5.334 -31.967 1.00 0.00 C ATOM 481 OD1 ASN B 19 11.023 5.061 -33.167 1.00 0.00 O ATOM 482 ND2 ASN B 19 10.274 4.661 -31.080 1.00 0.00 N ATOM 0 H ASN B 19 12.372 5.763 -28.947 1.00 0.00 H new ATOM 0 HA ASN B 19 13.632 6.222 -31.506 1.00 0.00 H new ATOM 0 HB2 ASN B 19 10.798 7.085 -30.717 1.00 0.00 H new ATOM 0 HB3 ASN B 19 11.562 7.395 -32.264 1.00 0.00 H new ATOM 0 HD21 ASN B 19 9.710 3.865 -31.378 1.00 0.00 H new ATOM 0 HD22 ASN B 19 10.288 4.938 -30.098 1.00 0.00 H new ATOM 489 N LEU B 20 14.675 8.322 -30.817 1.00 0.00 N ATOM 490 CA LEU B 20 15.505 9.420 -30.331 1.00 0.00 C ATOM 491 C LEU B 20 15.697 10.374 -31.431 1.00 0.00 C ATOM 492 O LEU B 20 15.686 9.995 -32.588 1.00 0.00 O ATOM 493 CB LEU B 20 16.860 8.746 -29.869 1.00 0.00 C ATOM 494 CG LEU B 20 16.741 8.014 -28.545 1.00 0.00 C ATOM 495 CD1 LEU B 20 18.149 7.580 -28.184 1.00 0.00 C ATOM 496 CD2 LEU B 20 16.078 8.876 -27.465 1.00 0.00 C ATOM 0 H LEU B 20 15.119 7.810 -31.580 1.00 0.00 H new ATOM 0 HA LEU B 20 15.066 9.975 -29.502 1.00 0.00 H new ATOM 0 HB2 LEU B 20 17.190 8.045 -30.636 1.00 0.00 H new ATOM 0 HB3 LEU B 20 17.630 9.513 -29.785 1.00 0.00 H new ATOM 0 HG LEU B 20 16.085 7.147 -28.625 1.00 0.00 H new ATOM 0 HD11 LEU B 20 18.132 7.044 -27.235 1.00 0.00 H new ATOM 0 HD12 LEU B 20 18.539 6.926 -28.964 1.00 0.00 H new ATOM 0 HD13 LEU B 20 18.789 8.458 -28.094 1.00 0.00 H new ATOM 0 HD21 LEU B 20 16.015 8.310 -26.536 1.00 0.00 H new ATOM 0 HD22 LEU B 20 16.672 9.776 -27.302 1.00 0.00 H new ATOM 0 HD23 LEU B 20 15.075 9.156 -27.788 1.00 0.00 H new ATOM 508 N LYS B 21 15.887 11.656 -31.089 1.00 0.00 N ATOM 509 CA LYS B 21 15.961 12.793 -31.967 1.00 0.00 C ATOM 510 C LYS B 21 17.308 13.392 -31.846 1.00 0.00 C ATOM 511 O LYS B 21 17.951 13.356 -30.836 1.00 0.00 O ATOM 512 CB LYS B 21 14.938 13.795 -31.493 1.00 0.00 C ATOM 513 CG LYS B 21 13.596 13.341 -31.980 1.00 0.00 C ATOM 514 CD LYS B 21 12.369 14.141 -31.473 1.00 0.00 C ATOM 515 CE LYS B 21 11.210 14.011 -32.484 1.00 0.00 C ATOM 516 NZ LYS B 21 9.952 14.730 -32.071 1.00 0.00 N ATOM 0 H LYS B 21 16.000 11.927 -30.112 1.00 0.00 H new ATOM 0 HA LYS B 21 15.775 12.506 -33.002 1.00 0.00 H new ATOM 0 HB2 LYS B 21 14.947 13.865 -30.405 1.00 0.00 H new ATOM 0 HB3 LYS B 21 15.169 14.788 -31.878 1.00 0.00 H new ATOM 0 HG2 LYS B 21 13.599 13.375 -33.069 1.00 0.00 H new ATOM 0 HG3 LYS B 21 13.465 12.297 -31.694 1.00 0.00 H new ATOM 0 HD2 LYS B 21 12.057 13.768 -30.498 1.00 0.00 H new ATOM 0 HD3 LYS B 21 12.635 15.190 -31.343 1.00 0.00 H new ATOM 0 HE2 LYS B 21 11.538 14.399 -33.448 1.00 0.00 H new ATOM 0 HE3 LYS B 21 10.982 12.955 -32.626 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 9.394 14.966 -32.916 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 9.391 14.117 -31.446 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 10.202 15.604 -31.566 1.00 0.00 H new ATOM 530 N VAL B 22 17.839 13.987 -32.902 1.00 0.00 N ATOM 531 CA VAL B 22 19.178 14.623 -33.068 1.00 0.00 C ATOM 532 C VAL B 22 19.012 15.886 -33.951 1.00 0.00 C ATOM 533 O VAL B 22 18.400 15.837 -34.997 1.00 0.00 O ATOM 534 CB VAL B 22 20.210 13.720 -33.750 1.00 0.00 C ATOM 535 CG1 VAL B 22 21.493 14.524 -33.734 1.00 0.00 C ATOM 536 CG2 VAL B 22 20.406 12.360 -33.091 1.00 0.00 C ATOM 0 H VAL B 22 17.302 14.054 -33.767 1.00 0.00 H new ATOM 0 HA VAL B 22 19.545 14.846 -32.066 1.00 0.00 H new ATOM 0 HB VAL B 22 19.869 13.462 -34.753 1.00 0.00 H new ATOM 0 HG11 VAL B 22 22.289 13.948 -34.206 1.00 0.00 H new ATOM 0 HG12 VAL B 22 21.346 15.455 -34.281 1.00 0.00 H new ATOM 0 HG13 VAL B 22 21.769 14.748 -32.704 1.00 0.00 H new ATOM 0 HG21 VAL B 22 21.155 11.792 -33.644 1.00 0.00 H new ATOM 0 HG22 VAL B 22 20.742 12.499 -32.063 1.00 0.00 H new ATOM 0 HG23 VAL B 22 19.462 11.815 -33.094 1.00 0.00 H new ATOM 546 N ALA B 23 19.615 16.999 -33.537 1.00 0.00 N ATOM 547 CA ALA B 23 19.690 18.233 -34.254 1.00 0.00 C ATOM 548 C ALA B 23 21.098 18.907 -34.040 1.00 0.00 C ATOM 549 O ALA B 23 21.588 19.116 -32.928 1.00 0.00 O ATOM 550 CB ALA B 23 18.527 19.157 -33.786 1.00 0.00 C ATOM 0 H ALA B 23 20.088 17.047 -32.634 1.00 0.00 H new ATOM 0 HA ALA B 23 19.582 18.053 -35.324 1.00 0.00 H new ATOM 0 HB1 ALA B 23 18.574 20.103 -34.326 1.00 0.00 H new ATOM 0 HB2 ALA B 23 17.572 18.671 -33.987 1.00 0.00 H new ATOM 0 HB3 ALA B 23 18.620 19.345 -32.716 1.00 0.00 H new ATOM 556 N GLY B 24 21.736 19.329 -35.145 1.00 0.00 N ATOM 557 CA GLY B 24 22.928 20.209 -35.117 1.00 0.00 C ATOM 558 C GLY B 24 22.502 21.687 -35.034 1.00 0.00 C ATOM 559 O GLY B 24 21.351 22.003 -34.737 1.00 0.00 O ATOM 0 H GLY B 24 21.443 19.072 -36.087 1.00 0.00 H new ATOM 0 HA2 GLY B 24 23.555 19.956 -34.262 1.00 0.00 H new ATOM 0 HA3 GLY B 24 23.529 20.047 -36.012 1.00 0.00 H new ATOM 563 N GLN B 25 23.458 22.604 -35.214 1.00 0.00 N ATOM 564 CA GLN B 25 23.157 23.992 -34.883 1.00 0.00 C ATOM 565 C GLN B 25 22.423 24.766 -35.982 1.00 0.00 C ATOM 566 O GLN B 25 22.052 25.931 -35.824 1.00 0.00 O ATOM 567 CB GLN B 25 24.374 24.801 -34.508 1.00 0.00 C ATOM 568 CG GLN B 25 25.071 24.432 -33.238 1.00 0.00 C ATOM 569 CD GLN B 25 24.151 24.274 -32.054 1.00 0.00 C ATOM 570 OE1 GLN B 25 23.540 25.250 -31.620 1.00 0.00 O ATOM 571 NE2 GLN B 25 23.945 23.146 -31.470 1.00 0.00 N ATOM 0 H GLN B 25 24.397 22.422 -35.568 1.00 0.00 H new ATOM 0 HA GLN B 25 22.497 23.881 -34.023 1.00 0.00 H new ATOM 0 HB2 GLN B 25 25.094 24.727 -35.323 1.00 0.00 H new ATOM 0 HB3 GLN B 25 24.077 25.847 -34.439 1.00 0.00 H new ATOM 0 HG2 GLN B 25 25.612 23.498 -33.391 1.00 0.00 H new ATOM 0 HG3 GLN B 25 25.813 25.196 -33.008 1.00 0.00 H new ATOM 0 HE21 GLN B 25 24.428 22.308 -31.794 1.00 0.00 H new ATOM 0 HE22 GLN B 25 23.298 23.090 -30.683 1.00 0.00 H new ATOM 580 N ASP B 26 22.010 24.089 -37.044 1.00 0.00 N ATOM 581 CA ASP B 26 20.978 24.525 -37.954 1.00 0.00 C ATOM 582 C ASP B 26 19.546 24.357 -37.410 1.00 0.00 C ATOM 583 O ASP B 26 18.657 24.792 -38.133 1.00 0.00 O ATOM 584 CB ASP B 26 21.234 23.617 -39.221 1.00 0.00 C ATOM 585 CG ASP B 26 21.416 22.070 -39.037 1.00 0.00 C ATOM 586 OD1 ASP B 26 20.466 21.313 -39.083 1.00 0.00 O ATOM 587 OD2 ASP B 26 22.569 21.702 -38.889 1.00 0.00 O ATOM 0 H ASP B 26 22.406 23.184 -37.299 1.00 0.00 H new ATOM 0 HA ASP B 26 21.035 25.596 -38.151 1.00 0.00 H new ATOM 0 HB2 ASP B 26 20.400 23.769 -39.906 1.00 0.00 H new ATOM 0 HB3 ASP B 26 22.127 23.994 -39.718 1.00 0.00 H new ATOM 592 N GLY B 27 19.310 23.669 -36.272 1.00 0.00 N ATOM 593 CA GLY B 27 17.978 23.577 -35.690 1.00 0.00 C ATOM 594 C GLY B 27 16.915 22.623 -36.371 1.00 0.00 C ATOM 595 O GLY B 27 15.967 22.229 -35.712 1.00 0.00 O ATOM 0 H GLY B 27 20.032 23.174 -35.748 1.00 0.00 H new ATOM 0 HA2 GLY B 27 18.091 23.259 -34.654 1.00 0.00 H new ATOM 0 HA3 GLY B 27 17.556 24.582 -35.671 1.00 0.00 H new ATOM 599 N SER B 28 17.152 22.128 -37.600 1.00 0.00 N ATOM 600 CA SER B 28 16.450 20.917 -38.100 1.00 0.00 C ATOM 601 C SER B 28 16.784 19.607 -37.306 1.00 0.00 C ATOM 602 O SER B 28 17.900 19.305 -36.987 1.00 0.00 O ATOM 603 CB SER B 28 16.833 20.767 -39.536 1.00 0.00 C ATOM 604 OG SER B 28 18.071 20.079 -39.789 1.00 0.00 O ATOM 0 H SER B 28 17.813 22.536 -38.261 1.00 0.00 H new ATOM 0 HA SER B 28 15.377 21.055 -37.965 1.00 0.00 H new ATOM 0 HB2 SER B 28 16.033 20.236 -40.051 1.00 0.00 H new ATOM 0 HB3 SER B 28 16.894 21.760 -39.981 1.00 0.00 H new ATOM 0 HG SER B 28 18.821 20.635 -39.491 1.00 0.00 H new ATOM 610 N VAL B 29 15.775 18.741 -37.324 1.00 0.00 N ATOM 611 CA VAL B 29 15.729 17.452 -36.521 1.00 0.00 C ATOM 612 C VAL B 29 15.707 16.156 -37.462 1.00 0.00 C ATOM 613 O VAL B 29 15.014 16.228 -38.485 1.00 0.00 O ATOM 614 CB VAL B 29 14.510 17.456 -35.586 1.00 0.00 C ATOM 615 CG1 VAL B 29 14.432 16.262 -34.623 1.00 0.00 C ATOM 616 CG2 VAL B 29 14.643 18.666 -34.613 1.00 0.00 C ATOM 0 H VAL B 29 14.941 18.886 -37.893 1.00 0.00 H new ATOM 0 HA VAL B 29 16.641 17.403 -35.926 1.00 0.00 H new ATOM 0 HB VAL B 29 13.649 17.460 -36.254 1.00 0.00 H new ATOM 0 HG11 VAL B 29 13.539 16.352 -34.004 1.00 0.00 H new ATOM 0 HG12 VAL B 29 14.385 15.335 -35.195 1.00 0.00 H new ATOM 0 HG13 VAL B 29 15.316 16.250 -33.985 1.00 0.00 H new ATOM 0 HG21 VAL B 29 13.786 18.687 -33.940 1.00 0.00 H new ATOM 0 HG22 VAL B 29 15.559 18.566 -34.031 1.00 0.00 H new ATOM 0 HG23 VAL B 29 14.677 19.592 -35.187 1.00 0.00 H new ATOM 626 N VAL B 30 16.351 15.094 -36.999 1.00 0.00 N ATOM 627 CA VAL B 30 16.092 13.792 -37.599 1.00 0.00 C ATOM 628 C VAL B 30 15.718 12.850 -36.369 1.00 0.00 C ATOM 629 O VAL B 30 16.256 13.043 -35.288 1.00 0.00 O ATOM 630 CB VAL B 30 17.294 13.234 -38.386 1.00 0.00 C ATOM 631 CG1 VAL B 30 17.468 14.109 -39.615 1.00 0.00 C ATOM 632 CG2 VAL B 30 18.571 13.080 -37.550 1.00 0.00 C ATOM 0 H VAL B 30 17.031 15.102 -36.239 1.00 0.00 H new ATOM 0 HA VAL B 30 15.296 13.857 -38.340 1.00 0.00 H new ATOM 0 HB VAL B 30 17.089 12.207 -38.688 1.00 0.00 H new ATOM 0 HG11 VAL B 30 18.312 13.747 -40.203 1.00 0.00 H new ATOM 0 HG12 VAL B 30 16.562 14.071 -40.220 1.00 0.00 H new ATOM 0 HG13 VAL B 30 17.655 15.137 -39.306 1.00 0.00 H new ATOM 0 HG21 VAL B 30 19.370 12.682 -38.176 1.00 0.00 H new ATOM 0 HG22 VAL B 30 18.868 14.052 -37.157 1.00 0.00 H new ATOM 0 HG23 VAL B 30 18.384 12.396 -36.722 1.00 0.00 H new ATOM 642 N GLN B 31 14.825 11.902 -36.596 1.00 0.00 N ATOM 643 CA GLN B 31 14.518 10.796 -35.680 1.00 0.00 C ATOM 644 C GLN B 31 15.273 9.505 -36.122 1.00 0.00 C ATOM 645 O GLN B 31 15.151 8.971 -37.255 1.00 0.00 O ATOM 646 CB GLN B 31 12.995 10.464 -35.531 1.00 0.00 C ATOM 647 CG GLN B 31 12.159 11.530 -34.743 1.00 0.00 C ATOM 648 CD GLN B 31 10.704 11.316 -34.977 1.00 0.00 C ATOM 649 OE1 GLN B 31 10.004 12.227 -35.282 1.00 0.00 O ATOM 650 NE2 GLN B 31 10.126 10.147 -34.904 1.00 0.00 N ATOM 0 H GLN B 31 14.270 11.872 -37.451 1.00 0.00 H new ATOM 0 HA GLN B 31 14.854 11.141 -34.702 1.00 0.00 H new ATOM 0 HB2 GLN B 31 12.564 10.350 -36.526 1.00 0.00 H new ATOM 0 HB3 GLN B 31 12.896 9.502 -35.028 1.00 0.00 H new ATOM 0 HG2 GLN B 31 12.378 11.460 -33.678 1.00 0.00 H new ATOM 0 HG3 GLN B 31 12.443 12.533 -35.061 1.00 0.00 H new ATOM 0 HE21 GLN B 31 10.671 9.324 -34.647 1.00 0.00 H new ATOM 0 HE22 GLN B 31 9.130 10.057 -35.104 1.00 0.00 H new ATOM 659 N PHE B 32 15.962 8.889 -35.179 1.00 0.00 N ATOM 660 CA PHE B 32 16.517 7.483 -35.182 1.00 0.00 C ATOM 661 C PHE B 32 15.473 6.622 -34.475 1.00 0.00 C ATOM 662 O PHE B 32 15.065 6.905 -33.381 1.00 0.00 O ATOM 663 CB PHE B 32 17.827 7.487 -34.404 1.00 0.00 C ATOM 664 CG PHE B 32 18.993 8.084 -35.191 1.00 0.00 C ATOM 665 CD1 PHE B 32 19.116 9.458 -35.304 1.00 0.00 C ATOM 666 CD2 PHE B 32 19.913 7.189 -35.821 1.00 0.00 C ATOM 667 CE1 PHE B 32 20.140 10.015 -36.130 1.00 0.00 C ATOM 668 CE2 PHE B 32 20.865 7.717 -36.696 1.00 0.00 C ATOM 669 CZ PHE B 32 20.983 9.100 -36.860 1.00 0.00 C ATOM 0 H PHE B 32 16.184 9.369 -34.307 1.00 0.00 H new ATOM 0 HA PHE B 32 16.713 7.104 -36.185 1.00 0.00 H new ATOM 0 HB2 PHE B 32 17.693 8.052 -33.482 1.00 0.00 H new ATOM 0 HB3 PHE B 32 18.075 6.465 -34.118 1.00 0.00 H new ATOM 0 HD1 PHE B 32 18.439 10.108 -34.769 1.00 0.00 H new ATOM 0 HD2 PHE B 32 19.873 6.128 -35.625 1.00 0.00 H new ATOM 0 HE1 PHE B 32 20.278 11.083 -36.205 1.00 0.00 H new ATOM 0 HE2 PHE B 32 21.513 7.053 -37.249 1.00 0.00 H new ATOM 0 HZ PHE B 32 21.719 9.491 -37.546 1.00 0.00 H new ATOM 679 N LYS B 33 15.389 5.437 -35.080 1.00 0.00 N ATOM 680 CA LYS B 33 14.821 4.156 -34.434 1.00 0.00 C ATOM 681 C LYS B 33 15.950 3.155 -34.098 1.00 0.00 C ATOM 682 O LYS B 33 16.726 2.820 -35.011 1.00 0.00 O ATOM 683 CB LYS B 33 13.766 3.524 -35.358 1.00 0.00 C ATOM 684 CG LYS B 33 12.951 2.406 -34.728 1.00 0.00 C ATOM 685 CD LYS B 33 12.084 1.641 -35.741 1.00 0.00 C ATOM 686 CE LYS B 33 11.242 0.461 -35.123 1.00 0.00 C ATOM 687 NZ LYS B 33 10.514 -0.400 -36.094 1.00 0.00 N ATOM 0 H LYS B 33 15.704 5.291 -36.039 1.00 0.00 H new ATOM 0 HA LYS B 33 14.338 4.423 -33.494 1.00 0.00 H new ATOM 0 HB2 LYS B 33 13.085 4.305 -35.695 1.00 0.00 H new ATOM 0 HB3 LYS B 33 14.267 3.134 -36.244 1.00 0.00 H new ATOM 0 HG2 LYS B 33 13.626 1.706 -34.236 1.00 0.00 H new ATOM 0 HG3 LYS B 33 12.308 2.826 -33.954 1.00 0.00 H new ATOM 0 HD2 LYS B 33 11.403 2.344 -36.221 1.00 0.00 H new ATOM 0 HD3 LYS B 33 12.730 1.239 -36.522 1.00 0.00 H new ATOM 0 HE2 LYS B 33 11.912 -0.170 -34.539 1.00 0.00 H new ATOM 0 HE3 LYS B 33 10.517 0.884 -34.428 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 9.995 -1.141 -35.580 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 9.842 0.180 -36.637 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 11.195 -0.842 -36.745 1.00 0.00 H new ATOM 701 N ILE B 34 16.026 2.722 -32.889 1.00 0.00 N ATOM 702 CA ILE B 34 16.994 1.685 -32.474 1.00 0.00 C ATOM 703 C ILE B 34 16.431 0.890 -31.347 1.00 0.00 C ATOM 704 O ILE B 34 15.378 1.106 -30.777 1.00 0.00 O ATOM 705 CB ILE B 34 18.338 2.282 -32.073 1.00 0.00 C ATOM 706 CG1 ILE B 34 18.204 3.324 -30.947 1.00 0.00 C ATOM 707 CG2 ILE B 34 19.037 2.913 -33.267 1.00 0.00 C ATOM 708 CD1 ILE B 34 19.560 3.972 -30.586 1.00 0.00 C ATOM 0 H ILE B 34 15.430 3.058 -32.133 1.00 0.00 H new ATOM 0 HA ILE B 34 17.169 1.035 -33.332 1.00 0.00 H new ATOM 0 HB ILE B 34 18.940 1.454 -31.698 1.00 0.00 H new ATOM 0 HG12 ILE B 34 17.503 4.100 -31.254 1.00 0.00 H new ATOM 0 HG13 ILE B 34 17.784 2.847 -30.061 1.00 0.00 H new ATOM 0 HG21 ILE B 34 19.993 3.330 -32.950 1.00 0.00 H new ATOM 0 HG22 ILE B 34 19.208 2.155 -34.031 1.00 0.00 H new ATOM 0 HG23 ILE B 34 18.412 3.707 -33.677 1.00 0.00 H new ATOM 0 HD11 ILE B 34 19.414 4.700 -29.788 1.00 0.00 H new ATOM 0 HD12 ILE B 34 20.254 3.201 -30.252 1.00 0.00 H new ATOM 0 HD13 ILE B 34 19.969 4.473 -31.463 1.00 0.00 H new ATOM 720 N LYS B 35 17.215 -0.118 -30.914 1.00 0.00 N ATOM 721 CA LYS B 35 16.944 -0.915 -29.659 1.00 0.00 C ATOM 722 C LYS B 35 17.532 -0.283 -28.426 1.00 0.00 C ATOM 723 O LYS B 35 18.533 0.455 -28.533 1.00 0.00 O ATOM 724 CB LYS B 35 17.405 -2.333 -29.817 1.00 0.00 C ATOM 725 CG LYS B 35 16.459 -3.133 -30.691 1.00 0.00 C ATOM 726 CD LYS B 35 17.013 -4.429 -31.247 1.00 0.00 C ATOM 727 CE LYS B 35 16.006 -5.424 -31.958 1.00 0.00 C ATOM 728 NZ LYS B 35 16.669 -6.563 -32.597 1.00 0.00 N ATOM 0 H LYS B 35 18.055 -0.416 -31.409 1.00 0.00 H new ATOM 0 HA LYS B 35 15.864 -0.917 -29.515 1.00 0.00 H new ATOM 0 HB2 LYS B 35 18.403 -2.345 -30.254 1.00 0.00 H new ATOM 0 HB3 LYS B 35 17.481 -2.803 -28.836 1.00 0.00 H new ATOM 0 HG2 LYS B 35 15.564 -3.361 -30.112 1.00 0.00 H new ATOM 0 HG3 LYS B 35 16.147 -2.505 -31.526 1.00 0.00 H new ATOM 0 HD2 LYS B 35 17.795 -4.178 -31.963 1.00 0.00 H new ATOM 0 HD3 LYS B 35 17.491 -4.966 -30.428 1.00 0.00 H new ATOM 0 HE2 LYS B 35 15.292 -5.794 -31.222 1.00 0.00 H new ATOM 0 HE3 LYS B 35 15.435 -4.877 -32.709 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 15.956 -7.174 -33.043 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 17.331 -6.218 -33.321 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 17.192 -7.107 -31.881 1.00 0.00 H new ATOM 742 N ARG B 36 16.942 -0.587 -27.260 1.00 0.00 N ATOM 743 CA ARG B 36 17.356 0.131 -26.025 1.00 0.00 C ATOM 744 C ARG B 36 18.846 -0.089 -25.681 1.00 0.00 C ATOM 745 O ARG B 36 19.414 0.848 -25.114 1.00 0.00 O ATOM 746 CB ARG B 36 16.495 -0.335 -24.813 1.00 0.00 C ATOM 747 CG ARG B 36 15.113 0.319 -24.947 1.00 0.00 C ATOM 748 CD ARG B 36 14.381 -0.214 -23.752 1.00 0.00 C ATOM 749 NE ARG B 36 14.916 0.218 -22.458 1.00 0.00 N ATOM 750 CZ ARG B 36 14.736 1.367 -21.833 1.00 0.00 C ATOM 751 NH1 ARG B 36 14.168 2.390 -22.391 1.00 0.00 N ATOM 752 NH2 ARG B 36 15.203 1.539 -20.614 1.00 0.00 N ATOM 0 H ARG B 36 16.211 -1.288 -27.137 1.00 0.00 H new ATOM 0 HA ARG B 36 17.203 1.192 -26.220 1.00 0.00 H new ATOM 0 HB2 ARG B 36 16.405 -1.421 -24.802 1.00 0.00 H new ATOM 0 HB3 ARG B 36 16.967 -0.045 -23.874 1.00 0.00 H new ATOM 0 HG2 ARG B 36 15.176 1.407 -24.931 1.00 0.00 H new ATOM 0 HG3 ARG B 36 14.622 0.042 -25.880 1.00 0.00 H new ATOM 0 HD2 ARG B 36 13.337 0.092 -23.817 1.00 0.00 H new ATOM 0 HD3 ARG B 36 14.397 -1.303 -23.790 1.00 0.00 H new ATOM 0 HE ARG B 36 15.506 -0.460 -21.976 1.00 0.00 H new ATOM 0 HH11 ARG B 36 13.838 2.328 -23.354 1.00 0.00 H new ATOM 0 HH12 ARG B 36 14.051 3.257 -21.867 1.00 0.00 H new ATOM 0 HH21 ARG B 36 15.706 0.783 -20.149 1.00 0.00 H new ATOM 0 HH22 ARG B 36 15.062 2.428 -20.135 1.00 0.00 H new ATOM 766 N HIS B 37 19.438 -1.177 -26.149 1.00 0.00 N ATOM 767 CA HIS B 37 20.889 -1.436 -26.042 1.00 0.00 C ATOM 768 C HIS B 37 21.848 -1.036 -27.137 1.00 0.00 C ATOM 769 O HIS B 37 23.036 -1.248 -26.944 1.00 0.00 O ATOM 770 CB HIS B 37 21.116 -2.889 -25.595 1.00 0.00 C ATOM 771 CG HIS B 37 20.815 -3.934 -26.692 1.00 0.00 C ATOM 772 ND1 HIS B 37 19.557 -4.165 -27.205 1.00 0.00 N ATOM 773 CD2 HIS B 37 21.680 -4.826 -27.243 1.00 0.00 C ATOM 774 CE1 HIS B 37 19.628 -5.279 -27.926 1.00 0.00 C ATOM 775 NE2 HIS B 37 20.920 -5.765 -27.918 1.00 0.00 N ATOM 0 H HIS B 37 18.928 -1.923 -26.622 1.00 0.00 H new ATOM 0 HA HIS B 37 21.181 -0.695 -25.298 1.00 0.00 H new ATOM 0 HB2 HIS B 37 22.151 -3.002 -25.273 1.00 0.00 H new ATOM 0 HB3 HIS B 37 20.488 -3.095 -24.728 1.00 0.00 H new ATOM 0 HD2 HIS B 37 22.757 -4.806 -27.168 1.00 0.00 H new ATOM 0 HE1 HIS B 37 18.797 -5.737 -28.442 1.00 0.00 H new ATOM 0 HE2 HIS B 37 21.248 -6.640 -28.327 1.00 0.00 H new ATOM 783 N THR B 38 21.366 -0.516 -28.291 1.00 0.00 N ATOM 784 CA THR B 38 22.188 -0.275 -29.514 1.00 0.00 C ATOM 785 C THR B 38 23.211 0.764 -29.076 1.00 0.00 C ATOM 786 O THR B 38 22.801 1.862 -28.675 1.00 0.00 O ATOM 787 CB THR B 38 21.319 0.166 -30.766 1.00 0.00 C ATOM 788 OG1 THR B 38 20.311 -0.826 -31.113 1.00 0.00 O ATOM 789 CG2 THR B 38 22.023 0.553 -32.025 1.00 0.00 C ATOM 0 H THR B 38 20.389 -0.248 -28.406 1.00 0.00 H new ATOM 0 HA THR B 38 22.672 -1.182 -29.875 1.00 0.00 H new ATOM 0 HB THR B 38 20.888 1.090 -30.380 1.00 0.00 H new ATOM 0 HG1 THR B 38 20.021 -0.688 -32.039 1.00 0.00 H new ATOM 0 HG21 THR B 38 21.289 0.827 -32.783 1.00 0.00 H new ATOM 0 HG22 THR B 38 22.678 1.402 -31.830 1.00 0.00 H new ATOM 0 HG23 THR B 38 22.617 -0.288 -32.383 1.00 0.00 H new ATOM 797 N PRO B 39 24.544 0.616 -29.429 1.00 0.00 N ATOM 798 CA PRO B 39 25.564 1.612 -29.141 1.00 0.00 C ATOM 799 C PRO B 39 25.324 2.885 -29.952 1.00 0.00 C ATOM 800 O PRO B 39 25.056 2.847 -31.158 1.00 0.00 O ATOM 801 CB PRO B 39 26.810 0.939 -29.585 1.00 0.00 C ATOM 802 CG PRO B 39 26.382 -0.015 -30.760 1.00 0.00 C ATOM 803 CD PRO B 39 25.089 -0.531 -30.202 1.00 0.00 C ATOM 0 HA PRO B 39 25.583 1.922 -28.096 1.00 0.00 H new ATOM 0 HB2 PRO B 39 27.550 1.666 -29.920 1.00 0.00 H new ATOM 0 HB3 PRO B 39 27.263 0.376 -28.769 1.00 0.00 H new ATOM 0 HG2 PRO B 39 26.249 0.515 -31.703 1.00 0.00 H new ATOM 0 HG3 PRO B 39 27.107 -0.809 -30.940 1.00 0.00 H new ATOM 0 HD2 PRO B 39 24.407 -0.837 -30.995 1.00 0.00 H new ATOM 0 HD3 PRO B 39 25.249 -1.401 -29.565 1.00 0.00 H new ATOM 811 N LEU B 40 25.361 3.982 -29.259 1.00 0.00 N ATOM 812 CA LEU B 40 25.210 5.340 -29.816 1.00 0.00 C ATOM 813 C LEU B 40 26.391 5.730 -30.790 1.00 0.00 C ATOM 814 O LEU B 40 26.306 6.638 -31.551 1.00 0.00 O ATOM 815 CB LEU B 40 25.072 6.362 -28.619 1.00 0.00 C ATOM 816 CG LEU B 40 23.676 6.299 -27.977 1.00 0.00 C ATOM 817 CD1 LEU B 40 23.351 7.160 -26.743 1.00 0.00 C ATOM 818 CD2 LEU B 40 22.674 6.503 -29.090 1.00 0.00 C ATOM 0 H LEU B 40 25.502 3.982 -28.249 1.00 0.00 H new ATOM 0 HA LEU B 40 24.309 5.371 -30.429 1.00 0.00 H new ATOM 0 HB2 LEU B 40 25.829 6.145 -27.866 1.00 0.00 H new ATOM 0 HB3 LEU B 40 25.262 7.373 -28.980 1.00 0.00 H new ATOM 0 HG LEU B 40 23.631 5.317 -27.506 1.00 0.00 H new ATOM 0 HD11 LEU B 40 22.321 6.980 -26.435 1.00 0.00 H new ATOM 0 HD12 LEU B 40 24.025 6.897 -25.928 1.00 0.00 H new ATOM 0 HD13 LEU B 40 23.476 8.214 -26.991 1.00 0.00 H new ATOM 0 HD21 LEU B 40 21.664 6.466 -28.682 1.00 0.00 H new ATOM 0 HD22 LEU B 40 22.842 7.474 -29.557 1.00 0.00 H new ATOM 0 HD23 LEU B 40 22.793 5.716 -29.835 1.00 0.00 H new ATOM 830 N SER B 41 27.414 4.901 -30.797 1.00 0.00 N ATOM 831 CA SER B 41 28.484 5.038 -31.758 1.00 0.00 C ATOM 832 C SER B 41 27.856 5.117 -33.233 1.00 0.00 C ATOM 833 O SER B 41 28.245 5.916 -34.053 1.00 0.00 O ATOM 834 CB SER B 41 29.453 3.861 -31.611 1.00 0.00 C ATOM 835 OG SER B 41 28.862 2.534 -31.891 1.00 0.00 O ATOM 0 H SER B 41 27.526 4.124 -30.146 1.00 0.00 H new ATOM 0 HA SER B 41 29.046 5.955 -31.580 1.00 0.00 H new ATOM 0 HB2 SER B 41 30.297 4.017 -32.283 1.00 0.00 H new ATOM 0 HB3 SER B 41 29.850 3.860 -30.596 1.00 0.00 H new ATOM 0 HG SER B 41 29.545 1.841 -31.776 1.00 0.00 H new ATOM 841 N LYS B 42 26.983 4.143 -33.468 1.00 0.00 N ATOM 842 CA LYS B 42 26.256 3.888 -34.768 1.00 0.00 C ATOM 843 C LYS B 42 25.307 5.068 -35.140 1.00 0.00 C ATOM 844 O LYS B 42 25.295 5.637 -36.252 1.00 0.00 O ATOM 845 CB LYS B 42 25.548 2.524 -34.803 1.00 0.00 C ATOM 846 CG LYS B 42 26.633 1.445 -34.901 1.00 0.00 C ATOM 847 CD LYS B 42 26.043 0.061 -34.669 1.00 0.00 C ATOM 848 CE LYS B 42 27.071 -1.057 -34.781 1.00 0.00 C ATOM 849 NZ LYS B 42 26.397 -2.361 -34.849 1.00 0.00 N ATOM 0 H LYS B 42 26.732 3.466 -32.747 1.00 0.00 H new ATOM 0 HA LYS B 42 27.019 3.838 -35.545 1.00 0.00 H new ATOM 0 HB2 LYS B 42 24.945 2.382 -33.906 1.00 0.00 H new ATOM 0 HB3 LYS B 42 24.871 2.465 -35.655 1.00 0.00 H new ATOM 0 HG2 LYS B 42 27.103 1.484 -35.883 1.00 0.00 H new ATOM 0 HG3 LYS B 42 27.414 1.640 -34.166 1.00 0.00 H new ATOM 0 HD2 LYS B 42 25.587 0.029 -33.679 1.00 0.00 H new ATOM 0 HD3 LYS B 42 25.246 -0.113 -35.392 1.00 0.00 H new ATOM 0 HE2 LYS B 42 27.684 -0.910 -35.670 1.00 0.00 H new ATOM 0 HE3 LYS B 42 27.743 -1.031 -33.923 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 27.108 -3.116 -34.925 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 25.831 -2.504 -33.989 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 25.774 -2.387 -35.682 1.00 0.00 H new ATOM 863 N LEU B 43 24.652 5.611 -34.125 1.00 0.00 N ATOM 864 CA LEU B 43 23.873 6.830 -34.300 1.00 0.00 C ATOM 865 C LEU B 43 24.745 8.120 -34.634 1.00 0.00 C ATOM 866 O LEU B 43 24.353 8.979 -35.415 1.00 0.00 O ATOM 867 CB LEU B 43 23.005 7.065 -33.017 1.00 0.00 C ATOM 868 CG LEU B 43 22.179 8.426 -32.937 1.00 0.00 C ATOM 869 CD1 LEU B 43 20.889 8.265 -32.205 1.00 0.00 C ATOM 870 CD2 LEU B 43 22.995 9.464 -32.136 1.00 0.00 C ATOM 0 H LEU B 43 24.643 5.232 -33.178 1.00 0.00 H new ATOM 0 HA LEU B 43 23.240 6.682 -35.175 1.00 0.00 H new ATOM 0 HB2 LEU B 43 22.302 6.237 -32.928 1.00 0.00 H new ATOM 0 HB3 LEU B 43 23.664 7.018 -32.150 1.00 0.00 H new ATOM 0 HG LEU B 43 21.984 8.736 -33.964 1.00 0.00 H new ATOM 0 HD11 LEU B 43 20.364 9.220 -32.178 1.00 0.00 H new ATOM 0 HD12 LEU B 43 20.271 7.526 -32.715 1.00 0.00 H new ATOM 0 HD13 LEU B 43 21.088 7.931 -31.186 1.00 0.00 H new ATOM 0 HD21 LEU B 43 22.437 10.398 -32.077 1.00 0.00 H new ATOM 0 HD22 LEU B 43 23.177 9.086 -31.130 1.00 0.00 H new ATOM 0 HD23 LEU B 43 23.948 9.642 -32.635 1.00 0.00 H new ATOM 882 N MET B 44 25.999 8.187 -34.058 1.00 0.00 N ATOM 883 CA MET B 44 26.870 9.310 -34.248 1.00 0.00 C ATOM 884 C MET B 44 27.505 9.219 -35.628 1.00 0.00 C ATOM 885 O MET B 44 27.733 10.167 -36.452 1.00 0.00 O ATOM 886 CB MET B 44 27.936 9.463 -33.179 1.00 0.00 C ATOM 887 CG MET B 44 27.231 9.965 -31.899 1.00 0.00 C ATOM 888 SD MET B 44 28.497 10.213 -30.541 1.00 0.00 S ATOM 889 CE MET B 44 28.989 8.488 -30.177 1.00 0.00 C ATOM 0 H MET B 44 26.388 7.453 -33.466 1.00 0.00 H new ATOM 0 HA MET B 44 26.253 10.204 -34.164 1.00 0.00 H new ATOM 0 HB2 MET B 44 28.436 8.512 -32.995 1.00 0.00 H new ATOM 0 HB3 MET B 44 28.702 10.169 -33.498 1.00 0.00 H new ATOM 0 HG2 MET B 44 26.712 10.902 -32.101 1.00 0.00 H new ATOM 0 HG3 MET B 44 26.477 9.245 -31.580 1.00 0.00 H new ATOM 0 HE1 MET B 44 29.540 8.457 -29.237 1.00 0.00 H new ATOM 0 HE2 MET B 44 28.098 7.865 -30.096 1.00 0.00 H new ATOM 0 HE3 MET B 44 29.623 8.113 -30.981 1.00 0.00 H new ATOM 899 N LYS B 45 27.869 8.052 -35.972 1.00 0.00 N ATOM 900 CA LYS B 45 28.297 7.665 -37.288 1.00 0.00 C ATOM 901 C LYS B 45 27.248 8.010 -38.322 1.00 0.00 C ATOM 902 O LYS B 45 27.548 8.837 -39.201 1.00 0.00 O ATOM 903 CB LYS B 45 28.511 6.145 -37.254 1.00 0.00 C ATOM 904 CG LYS B 45 29.902 5.824 -36.779 1.00 0.00 C ATOM 905 CD LYS B 45 30.030 4.271 -36.493 1.00 0.00 C ATOM 906 CE LYS B 45 29.391 3.419 -37.520 1.00 0.00 C ATOM 907 NZ LYS B 45 29.695 1.990 -37.419 1.00 0.00 N ATOM 0 H LYS B 45 27.884 7.275 -35.312 1.00 0.00 H new ATOM 0 HA LYS B 45 29.211 8.193 -37.561 1.00 0.00 H new ATOM 0 HB2 LYS B 45 27.778 5.682 -36.593 1.00 0.00 H new ATOM 0 HB3 LYS B 45 28.353 5.726 -38.248 1.00 0.00 H new ATOM 0 HG2 LYS B 45 30.631 6.125 -37.531 1.00 0.00 H new ATOM 0 HG3 LYS B 45 30.126 6.389 -35.874 1.00 0.00 H new ATOM 0 HD2 LYS B 45 31.086 4.010 -36.424 1.00 0.00 H new ATOM 0 HD3 LYS B 45 29.583 4.052 -35.523 1.00 0.00 H new ATOM 0 HE2 LYS B 45 28.311 3.550 -37.458 1.00 0.00 H new ATOM 0 HE3 LYS B 45 29.698 3.771 -38.505 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 29.204 1.476 -38.178 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 30.721 1.846 -37.511 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 29.376 1.632 -36.496 1.00 0.00 H new ATOM 921 N ALA B 46 26.032 7.549 -38.156 1.00 0.00 N ATOM 922 CA ALA B 46 25.032 7.600 -39.205 1.00 0.00 C ATOM 923 C ALA B 46 24.552 9.065 -39.453 1.00 0.00 C ATOM 924 O ALA B 46 24.198 9.463 -40.572 1.00 0.00 O ATOM 925 CB ALA B 46 23.933 6.640 -38.922 1.00 0.00 C ATOM 0 H ALA B 46 25.703 7.126 -37.288 1.00 0.00 H new ATOM 0 HA ALA B 46 25.478 7.279 -40.147 1.00 0.00 H new ATOM 0 HB1 ALA B 46 23.191 6.691 -39.719 1.00 0.00 H new ATOM 0 HB2 ALA B 46 24.338 5.629 -38.867 1.00 0.00 H new ATOM 0 HB3 ALA B 46 23.463 6.895 -37.972 1.00 0.00 H new ATOM 931 N TYR B 47 24.515 9.876 -38.327 1.00 0.00 N ATOM 932 CA TYR B 47 24.173 11.298 -38.477 1.00 0.00 C ATOM 933 C TYR B 47 25.296 11.949 -39.280 1.00 0.00 C ATOM 934 O TYR B 47 24.957 12.801 -40.037 1.00 0.00 O ATOM 935 CB TYR B 47 24.131 12.029 -37.055 1.00 0.00 C ATOM 936 CG TYR B 47 23.785 13.531 -37.101 1.00 0.00 C ATOM 937 CD1 TYR B 47 22.495 14.023 -37.316 1.00 0.00 C ATOM 938 CD2 TYR B 47 24.823 14.471 -36.903 1.00 0.00 C ATOM 939 CE1 TYR B 47 22.223 15.382 -37.471 1.00 0.00 C ATOM 940 CE2 TYR B 47 24.573 15.849 -37.032 1.00 0.00 C ATOM 941 CZ TYR B 47 23.300 16.327 -37.359 1.00 0.00 C ATOM 942 OH TYR B 47 23.017 17.638 -37.365 1.00 0.00 O ATOM 0 H TYR B 47 24.709 9.568 -37.374 1.00 0.00 H new ATOM 0 HA TYR B 47 23.199 11.385 -38.958 1.00 0.00 H new ATOM 0 HB2 TYR B 47 23.399 11.523 -36.425 1.00 0.00 H new ATOM 0 HB3 TYR B 47 25.102 11.910 -36.574 1.00 0.00 H new ATOM 0 HD1 TYR B 47 21.675 13.322 -37.364 1.00 0.00 H new ATOM 0 HD2 TYR B 47 25.815 14.128 -36.651 1.00 0.00 H new ATOM 0 HE1 TYR B 47 21.217 15.720 -37.672 1.00 0.00 H new ATOM 0 HE2 TYR B 47 25.379 16.551 -36.876 1.00 0.00 H new ATOM 0 HH TYR B 47 23.847 18.152 -37.281 1.00 0.00 H new ATOM 952 N CYS B 48 26.555 11.570 -39.138 1.00 0.00 N ATOM 953 CA CYS B 48 27.678 12.235 -39.845 1.00 0.00 C ATOM 954 C CYS B 48 27.626 11.904 -41.357 1.00 0.00 C ATOM 955 O CYS B 48 27.969 12.833 -42.123 1.00 0.00 O ATOM 956 CB CYS B 48 28.982 11.842 -39.110 1.00 0.00 C ATOM 957 SG CYS B 48 30.352 12.826 -39.721 1.00 0.00 S ATOM 0 H CYS B 48 26.844 10.799 -38.537 1.00 0.00 H new ATOM 0 HA CYS B 48 27.616 13.323 -39.815 1.00 0.00 H new ATOM 0 HB2 CYS B 48 28.864 11.994 -38.037 1.00 0.00 H new ATOM 0 HB3 CYS B 48 29.189 10.782 -39.261 1.00 0.00 H new ATOM 0 HG CYS B 48 30.070 13.273 -40.909 1.00 0.00 H new ATOM 963 N GLU B 49 27.057 10.828 -41.854 1.00 0.00 N ATOM 964 CA GLU B 49 26.824 10.477 -43.217 1.00 0.00 C ATOM 965 C GLU B 49 25.649 11.208 -43.824 1.00 0.00 C ATOM 966 O GLU B 49 25.473 11.117 -45.039 1.00 0.00 O ATOM 967 CB GLU B 49 26.596 8.908 -43.301 1.00 0.00 C ATOM 968 CG GLU B 49 27.872 8.036 -43.127 1.00 0.00 C ATOM 969 CD GLU B 49 28.786 7.995 -44.350 1.00 0.00 C ATOM 970 OE1 GLU B 49 29.234 9.008 -44.873 1.00 0.00 O ATOM 971 OE2 GLU B 49 29.028 6.873 -44.891 1.00 0.00 O ATOM 0 H GLU B 49 26.710 10.100 -41.229 1.00 0.00 H new ATOM 0 HA GLU B 49 27.699 10.775 -43.795 1.00 0.00 H new ATOM 0 HB2 GLU B 49 25.874 8.622 -42.536 1.00 0.00 H new ATOM 0 HB3 GLU B 49 26.147 8.675 -44.266 1.00 0.00 H new ATOM 0 HG2 GLU B 49 28.441 8.413 -42.277 1.00 0.00 H new ATOM 0 HG3 GLU B 49 27.570 7.018 -42.881 1.00 0.00 H new ATOM 978 N ARG B 50 24.898 12.006 -43.050 1.00 0.00 N ATOM 979 CA ARG B 50 23.914 13.038 -43.449 1.00 0.00 C ATOM 980 C ARG B 50 24.501 14.398 -43.419 1.00 0.00 C ATOM 981 O ARG B 50 23.988 15.293 -44.109 1.00 0.00 O ATOM 982 CB ARG B 50 22.587 12.865 -42.588 1.00 0.00 C ATOM 983 CG ARG B 50 21.774 11.714 -43.143 1.00 0.00 C ATOM 984 CD ARG B 50 20.477 11.421 -42.367 1.00 0.00 C ATOM 985 NE ARG B 50 19.613 10.550 -43.150 1.00 0.00 N ATOM 986 CZ ARG B 50 18.605 10.839 -43.965 1.00 0.00 C ATOM 987 NH1 ARG B 50 18.276 12.023 -44.289 1.00 0.00 N ATOM 988 NH2 ARG B 50 17.950 9.851 -44.528 1.00 0.00 N ATOM 0 H ARG B 50 24.966 11.944 -42.034 1.00 0.00 H new ATOM 0 HA ARG B 50 23.629 12.897 -44.492 1.00 0.00 H new ATOM 0 HB2 ARG B 50 22.839 12.677 -41.544 1.00 0.00 H new ATOM 0 HB3 ARG B 50 22.001 13.784 -42.613 1.00 0.00 H new ATOM 0 HG2 ARG B 50 21.521 11.931 -44.181 1.00 0.00 H new ATOM 0 HG3 ARG B 50 22.392 10.816 -43.146 1.00 0.00 H new ATOM 0 HD2 ARG B 50 20.713 10.950 -41.413 1.00 0.00 H new ATOM 0 HD3 ARG B 50 19.959 12.354 -42.143 1.00 0.00 H new ATOM 0 HE ARG B 50 19.815 9.554 -43.058 1.00 0.00 H new ATOM 0 HH11 ARG B 50 18.798 12.817 -43.918 1.00 0.00 H new ATOM 0 HH12 ARG B 50 17.490 12.179 -44.921 1.00 0.00 H new ATOM 0 HH21 ARG B 50 18.219 8.886 -44.336 1.00 0.00 H new ATOM 0 HH22 ARG B 50 17.172 10.048 -45.158 1.00 0.00 H new ATOM 1002 N GLN B 51 25.599 14.660 -42.702 1.00 0.00 N ATOM 1003 CA GLN B 51 26.297 15.983 -42.715 1.00 0.00 C ATOM 1004 C GLN B 51 27.620 16.118 -43.513 1.00 0.00 C ATOM 1005 O GLN B 51 28.025 17.219 -43.724 1.00 0.00 O ATOM 1006 CB GLN B 51 26.574 16.476 -41.286 1.00 0.00 C ATOM 1007 CG GLN B 51 25.381 16.396 -40.226 1.00 0.00 C ATOM 1008 CD GLN B 51 24.020 16.749 -40.694 1.00 0.00 C ATOM 1009 OE1 GLN B 51 22.984 16.055 -40.615 1.00 0.00 O ATOM 1010 NE2 GLN B 51 24.004 17.980 -41.188 1.00 0.00 N ATOM 0 H GLN B 51 26.041 13.972 -42.092 1.00 0.00 H new ATOM 0 HA GLN B 51 25.573 16.592 -43.257 1.00 0.00 H new ATOM 0 HB2 GLN B 51 27.412 15.903 -40.891 1.00 0.00 H new ATOM 0 HB3 GLN B 51 26.899 17.515 -41.347 1.00 0.00 H new ATOM 0 HG2 GLN B 51 25.348 15.379 -39.834 1.00 0.00 H new ATOM 0 HG3 GLN B 51 25.629 17.051 -39.391 1.00 0.00 H new ATOM 0 HE21 GLN B 51 24.868 18.520 -41.239 1.00 0.00 H new ATOM 0 HE22 GLN B 51 23.128 18.386 -41.517 1.00 0.00 H new ATOM 1019 N GLY B 52 28.187 15.058 -44.016 1.00 0.00 N ATOM 1020 CA GLY B 52 29.264 15.110 -45.034 1.00 0.00 C ATOM 1021 C GLY B 52 30.552 15.620 -44.539 1.00 0.00 C ATOM 1022 O GLY B 52 31.416 15.871 -45.330 1.00 0.00 O ATOM 0 H GLY B 52 27.930 14.109 -43.744 1.00 0.00 H new ATOM 0 HA2 GLY B 52 29.415 14.108 -45.435 1.00 0.00 H new ATOM 0 HA3 GLY B 52 28.934 15.738 -45.861 1.00 0.00 H new ATOM 1026 N LEU B 53 30.743 15.799 -43.204 1.00 0.00 N ATOM 1027 CA LEU B 53 32.012 16.338 -42.585 1.00 0.00 C ATOM 1028 C LEU B 53 33.026 15.207 -42.257 1.00 0.00 C ATOM 1029 O LEU B 53 32.597 14.124 -41.916 1.00 0.00 O ATOM 1030 CB LEU B 53 31.601 17.111 -41.383 1.00 0.00 C ATOM 1031 CG LEU B 53 30.707 18.367 -41.591 1.00 0.00 C ATOM 1032 CD1 LEU B 53 29.869 18.691 -40.319 1.00 0.00 C ATOM 1033 CD2 LEU B 53 31.522 19.548 -42.074 1.00 0.00 C ATOM 0 H LEU B 53 30.026 15.576 -42.514 1.00 0.00 H new ATOM 0 HA LEU B 53 32.543 16.985 -43.284 1.00 0.00 H new ATOM 0 HB2 LEU B 53 31.072 16.432 -40.715 1.00 0.00 H new ATOM 0 HB3 LEU B 53 32.506 17.428 -40.865 1.00 0.00 H new ATOM 0 HG LEU B 53 29.989 18.141 -42.380 1.00 0.00 H new ATOM 0 HD11 LEU B 53 29.257 19.574 -40.502 1.00 0.00 H new ATOM 0 HD12 LEU B 53 29.224 17.845 -40.083 1.00 0.00 H new ATOM 0 HD13 LEU B 53 30.539 18.881 -39.481 1.00 0.00 H new ATOM 0 HD21 LEU B 53 30.869 20.410 -42.210 1.00 0.00 H new ATOM 0 HD22 LEU B 53 32.289 19.787 -41.337 1.00 0.00 H new ATOM 0 HD23 LEU B 53 31.996 19.299 -43.023 1.00 0.00 H new ATOM 1045 N SER B 54 34.351 15.569 -42.215 1.00 0.00 N ATOM 1046 CA SER B 54 35.220 14.833 -41.326 1.00 0.00 C ATOM 1047 C SER B 54 34.785 14.676 -39.849 1.00 0.00 C ATOM 1048 O SER B 54 34.648 15.714 -39.138 1.00 0.00 O ATOM 1049 CB SER B 54 36.594 15.583 -41.317 1.00 0.00 C ATOM 1050 OG SER B 54 37.615 14.847 -40.502 1.00 0.00 O ATOM 0 H SER B 54 34.786 16.316 -42.757 1.00 0.00 H new ATOM 0 HA SER B 54 35.226 13.817 -41.721 1.00 0.00 H new ATOM 0 HB2 SER B 54 36.955 15.696 -42.339 1.00 0.00 H new ATOM 0 HB3 SER B 54 36.459 16.587 -40.914 1.00 0.00 H new ATOM 0 HG SER B 54 38.462 15.339 -40.517 1.00 0.00 H new ATOM 1056 N MET B 55 34.292 13.453 -39.550 1.00 0.00 N ATOM 1057 CA MET B 55 33.645 13.096 -38.240 1.00 0.00 C ATOM 1058 C MET B 55 34.469 13.591 -37.047 1.00 0.00 C ATOM 1059 O MET B 55 33.848 13.983 -36.059 1.00 0.00 O ATOM 1060 CB MET B 55 33.355 11.651 -38.169 1.00 0.00 C ATOM 1061 CG MET B 55 32.509 11.327 -36.960 1.00 0.00 C ATOM 1062 SD MET B 55 31.929 9.583 -36.956 1.00 0.00 S ATOM 1063 CE MET B 55 31.478 9.333 -35.275 1.00 0.00 C ATOM 0 H MET B 55 34.326 12.672 -40.206 1.00 0.00 H new ATOM 0 HA MET B 55 32.688 13.615 -38.185 1.00 0.00 H new ATOM 0 HB2 MET B 55 32.837 11.336 -39.075 1.00 0.00 H new ATOM 0 HB3 MET B 55 34.289 11.091 -38.124 1.00 0.00 H new ATOM 0 HG2 MET B 55 33.086 11.517 -36.055 1.00 0.00 H new ATOM 0 HG3 MET B 55 31.647 11.994 -36.934 1.00 0.00 H new ATOM 0 HE1 MET B 55 30.720 8.552 -35.214 1.00 0.00 H new ATOM 0 HE2 MET B 55 32.356 9.032 -34.704 1.00 0.00 H new ATOM 0 HE3 MET B 55 31.077 10.260 -34.864 1.00 0.00 H new ATOM 1073 N ARG B 56 35.825 13.684 -37.142 1.00 0.00 N ATOM 1074 CA ARG B 56 36.757 14.233 -36.177 1.00 0.00 C ATOM 1075 C ARG B 56 36.359 15.698 -35.709 1.00 0.00 C ATOM 1076 O ARG B 56 36.613 15.881 -34.531 1.00 0.00 O ATOM 1077 CB ARG B 56 38.147 14.455 -36.880 1.00 0.00 C ATOM 1078 CG ARG B 56 39.266 14.466 -35.864 1.00 0.00 C ATOM 1079 CD ARG B 56 40.617 14.396 -36.576 1.00 0.00 C ATOM 1080 NE ARG B 56 41.600 14.734 -35.582 1.00 0.00 N ATOM 1081 CZ ARG B 56 42.150 15.937 -35.444 1.00 0.00 C ATOM 1082 NH1 ARG B 56 41.899 16.879 -36.330 1.00 0.00 N ATOM 1083 NH2 ARG B 56 43.003 16.202 -34.578 1.00 0.00 N ATOM 0 H ARG B 56 36.311 13.343 -37.972 1.00 0.00 H new ATOM 0 HA ARG B 56 36.767 13.533 -35.341 1.00 0.00 H new ATOM 0 HB2 ARG B 56 38.321 13.665 -37.610 1.00 0.00 H new ATOM 0 HB3 ARG B 56 38.137 15.398 -37.427 1.00 0.00 H new ATOM 0 HG2 ARG B 56 39.211 15.371 -35.259 1.00 0.00 H new ATOM 0 HG3 ARG B 56 39.159 13.621 -35.184 1.00 0.00 H new ATOM 0 HD2 ARG B 56 40.795 13.399 -36.980 1.00 0.00 H new ATOM 0 HD3 ARG B 56 40.654 15.091 -37.415 1.00 0.00 H new ATOM 0 HE ARG B 56 41.896 14.000 -34.938 1.00 0.00 H new ATOM 0 HH11 ARG B 56 41.284 16.685 -37.120 1.00 0.00 H new ATOM 0 HH12 ARG B 56 42.320 17.802 -36.226 1.00 0.00 H new ATOM 0 HH21 ARG B 56 43.313 15.478 -33.929 1.00 0.00 H new ATOM 0 HH22 ARG B 56 43.392 17.143 -34.517 1.00 0.00 H new ATOM 1097 N GLN B 57 35.753 16.623 -36.504 1.00 0.00 N ATOM 1098 CA GLN B 57 35.442 18.006 -36.235 1.00 0.00 C ATOM 1099 C GLN B 57 34.249 18.230 -35.247 1.00 0.00 C ATOM 1100 O GLN B 57 34.207 19.276 -34.544 1.00 0.00 O ATOM 1101 CB GLN B 57 35.239 18.710 -37.599 1.00 0.00 C ATOM 1102 CG GLN B 57 34.898 20.234 -37.569 1.00 0.00 C ATOM 1103 CD GLN B 57 35.013 20.895 -38.995 1.00 0.00 C ATOM 1104 OE1 GLN B 57 35.754 20.450 -39.890 1.00 0.00 O ATOM 1105 NE2 GLN B 57 34.340 22.006 -39.172 1.00 0.00 N ATOM 0 H GLN B 57 35.449 16.363 -37.442 1.00 0.00 H new ATOM 0 HA GLN B 57 36.279 18.451 -35.697 1.00 0.00 H new ATOM 0 HB2 GLN B 57 36.148 18.578 -38.186 1.00 0.00 H new ATOM 0 HB3 GLN B 57 34.439 18.195 -38.130 1.00 0.00 H new ATOM 0 HG2 GLN B 57 33.887 20.371 -37.187 1.00 0.00 H new ATOM 0 HG3 GLN B 57 35.571 20.742 -36.879 1.00 0.00 H new ATOM 0 HE21 GLN B 57 33.736 22.360 -38.430 1.00 0.00 H new ATOM 0 HE22 GLN B 57 34.420 22.516 -40.051 1.00 0.00 H new ATOM 1114 N ILE B 58 33.384 17.234 -35.068 1.00 0.00 N ATOM 1115 CA ILE B 58 32.003 17.475 -34.501 1.00 0.00 C ATOM 1116 C ILE B 58 31.909 16.767 -33.113 1.00 0.00 C ATOM 1117 O ILE B 58 32.727 15.915 -32.751 1.00 0.00 O ATOM 1118 CB ILE B 58 30.877 17.029 -35.392 1.00 0.00 C ATOM 1119 CG1 ILE B 58 30.448 15.571 -35.468 1.00 0.00 C ATOM 1120 CG2 ILE B 58 31.061 17.584 -36.842 1.00 0.00 C ATOM 1121 CD1 ILE B 58 29.166 15.231 -36.172 1.00 0.00 C ATOM 0 H ILE B 58 33.583 16.259 -35.294 1.00 0.00 H new ATOM 0 HA ILE B 58 31.879 18.554 -34.408 1.00 0.00 H new ATOM 0 HB ILE B 58 30.043 17.466 -34.843 1.00 0.00 H new ATOM 0 HG12 ILE B 58 31.250 15.016 -35.955 1.00 0.00 H new ATOM 0 HG13 ILE B 58 30.374 15.195 -34.448 1.00 0.00 H new ATOM 0 HG21 ILE B 58 30.234 17.248 -37.468 1.00 0.00 H new ATOM 0 HG22 ILE B 58 31.076 18.674 -36.815 1.00 0.00 H new ATOM 0 HG23 ILE B 58 32.001 17.218 -37.255 1.00 0.00 H new ATOM 0 HD11 ILE B 58 29.006 14.153 -36.137 1.00 0.00 H new ATOM 0 HD12 ILE B 58 28.335 15.737 -35.680 1.00 0.00 H new ATOM 0 HD13 ILE B 58 29.224 15.555 -37.211 1.00 0.00 H new ATOM 1133 N ARG B 59 31.036 17.216 -32.232 1.00 0.00 N ATOM 1134 CA ARG B 59 30.916 16.742 -30.822 1.00 0.00 C ATOM 1135 C ARG B 59 29.446 16.644 -30.412 1.00 0.00 C ATOM 1136 O ARG B 59 28.773 17.687 -30.460 1.00 0.00 O ATOM 1137 CB ARG B 59 31.684 17.648 -29.830 1.00 0.00 C ATOM 1138 CG ARG B 59 33.209 17.496 -29.955 1.00 0.00 C ATOM 1139 CD ARG B 59 33.897 16.138 -29.602 1.00 0.00 C ATOM 1140 NE ARG B 59 35.401 16.210 -29.742 1.00 0.00 N ATOM 1141 CZ ARG B 59 36.115 16.368 -30.884 1.00 0.00 C ATOM 1142 NH1 ARG B 59 35.462 16.314 -32.003 1.00 0.00 N ATOM 1143 NH2 ARG B 59 37.386 16.561 -30.822 1.00 0.00 N ATOM 0 H ARG B 59 30.359 17.944 -32.462 1.00 0.00 H new ATOM 0 HA ARG B 59 31.370 15.752 -30.780 1.00 0.00 H new ATOM 0 HB2 ARG B 59 31.410 18.688 -30.006 1.00 0.00 H new ATOM 0 HB3 ARG B 59 31.380 17.406 -28.812 1.00 0.00 H new ATOM 0 HG2 ARG B 59 33.474 17.734 -30.985 1.00 0.00 H new ATOM 0 HG3 ARG B 59 33.662 18.261 -29.325 1.00 0.00 H new ATOM 0 HD2 ARG B 59 33.641 15.857 -28.580 1.00 0.00 H new ATOM 0 HD3 ARG B 59 33.510 15.355 -30.254 1.00 0.00 H new ATOM 0 HE ARG B 59 35.940 16.131 -28.879 1.00 0.00 H new ATOM 0 HH11 ARG B 59 34.454 16.158 -31.998 1.00 0.00 H new ATOM 0 HH12 ARG B 59 35.956 16.427 -32.888 1.00 0.00 H new ATOM 0 HH21 ARG B 59 37.853 16.595 -29.916 1.00 0.00 H new ATOM 0 HH22 ARG B 59 37.926 16.680 -31.679 1.00 0.00 H new ATOM 1157 N PHE B 60 28.971 15.471 -30.145 1.00 0.00 N ATOM 1158 CA PHE B 60 27.614 15.139 -29.753 1.00 0.00 C ATOM 1159 C PHE B 60 27.480 15.272 -28.222 1.00 0.00 C ATOM 1160 O PHE B 60 28.358 14.777 -27.416 1.00 0.00 O ATOM 1161 CB PHE B 60 27.323 13.716 -30.185 1.00 0.00 C ATOM 1162 CG PHE B 60 27.399 13.419 -31.662 1.00 0.00 C ATOM 1163 CD1 PHE B 60 28.561 13.023 -32.373 1.00 0.00 C ATOM 1164 CD2 PHE B 60 26.147 13.533 -32.388 1.00 0.00 C ATOM 1165 CE1 PHE B 60 28.569 12.852 -33.732 1.00 0.00 C ATOM 1166 CE2 PHE B 60 26.112 13.232 -33.786 1.00 0.00 C ATOM 1167 CZ PHE B 60 27.352 12.864 -34.420 1.00 0.00 C ATOM 0 H PHE B 60 29.562 14.641 -30.196 1.00 0.00 H new ATOM 0 HA PHE B 60 26.903 15.815 -30.227 1.00 0.00 H new ATOM 0 HB2 PHE B 60 28.022 13.056 -29.671 1.00 0.00 H new ATOM 0 HB3 PHE B 60 26.323 13.454 -29.838 1.00 0.00 H new ATOM 0 HD1 PHE B 60 29.474 12.850 -31.822 1.00 0.00 H new ATOM 0 HD2 PHE B 60 25.248 13.843 -31.876 1.00 0.00 H new ATOM 0 HE1 PHE B 60 29.499 12.710 -34.263 1.00 0.00 H new ATOM 0 HE2 PHE B 60 25.190 13.279 -34.346 1.00 0.00 H new ATOM 0 HZ PHE B 60 27.341 12.588 -35.464 1.00 0.00 H new ATOM 1177 N ARG B 61 26.386 15.932 -27.725 1.00 0.00 N ATOM 1178 CA ARG B 61 26.063 16.253 -26.331 1.00 0.00 C ATOM 1179 C ARG B 61 24.597 15.893 -25.991 1.00 0.00 C ATOM 1180 O ARG B 61 23.662 16.021 -26.793 1.00 0.00 O ATOM 1181 CB ARG B 61 26.604 17.674 -25.917 1.00 0.00 C ATOM 1182 CG ARG B 61 28.130 17.855 -25.763 1.00 0.00 C ATOM 1183 CD ARG B 61 28.486 19.276 -25.407 1.00 0.00 C ATOM 1184 NE ARG B 61 30.001 19.480 -25.521 1.00 0.00 N ATOM 1185 CZ ARG B 61 30.670 20.608 -25.676 1.00 0.00 C ATOM 1186 NH1 ARG B 61 30.051 21.754 -25.634 1.00 0.00 N ATOM 1187 NH2 ARG B 61 31.961 20.550 -25.877 1.00 0.00 N ATOM 0 H ARG B 61 25.661 16.272 -28.356 1.00 0.00 H new ATOM 0 HA ARG B 61 26.618 15.603 -25.655 1.00 0.00 H new ATOM 0 HB2 ARG B 61 26.256 18.392 -26.659 1.00 0.00 H new ATOM 0 HB3 ARG B 61 26.139 17.945 -24.969 1.00 0.00 H new ATOM 0 HG2 ARG B 61 28.501 17.182 -24.990 1.00 0.00 H new ATOM 0 HG3 ARG B 61 28.626 17.577 -26.693 1.00 0.00 H new ATOM 0 HD2 ARG B 61 27.967 19.967 -26.071 1.00 0.00 H new ATOM 0 HD3 ARG B 61 28.156 19.499 -24.393 1.00 0.00 H new ATOM 0 HE ARG B 61 30.567 18.633 -25.470 1.00 0.00 H new ATOM 0 HH11 ARG B 61 29.043 21.784 -25.481 1.00 0.00 H new ATOM 0 HH12 ARG B 61 30.574 22.621 -25.755 1.00 0.00 H new ATOM 0 HH21 ARG B 61 32.432 19.646 -25.912 1.00 0.00 H new ATOM 0 HH22 ARG B 61 32.497 21.409 -25.999 1.00 0.00 H new ATOM 1201 N PHE B 62 24.383 15.650 -24.722 1.00 0.00 N ATOM 1202 CA PHE B 62 23.067 15.520 -24.115 1.00 0.00 C ATOM 1203 C PHE B 62 23.081 15.895 -22.582 1.00 0.00 C ATOM 1204 O PHE B 62 23.958 15.457 -21.839 1.00 0.00 O ATOM 1205 CB PHE B 62 22.717 14.082 -24.335 1.00 0.00 C ATOM 1206 CG PHE B 62 21.400 13.793 -23.652 1.00 0.00 C ATOM 1207 CD1 PHE B 62 20.201 14.269 -24.152 1.00 0.00 C ATOM 1208 CD2 PHE B 62 21.301 12.967 -22.505 1.00 0.00 C ATOM 1209 CE1 PHE B 62 18.942 14.070 -23.515 1.00 0.00 C ATOM 1210 CE2 PHE B 62 20.078 12.727 -21.819 1.00 0.00 C ATOM 1211 CZ PHE B 62 18.927 13.253 -22.383 1.00 0.00 C ATOM 0 H PHE B 62 25.143 15.532 -24.053 1.00 0.00 H new ATOM 0 HA PHE B 62 22.337 16.201 -24.552 1.00 0.00 H new ATOM 0 HB2 PHE B 62 22.644 13.870 -25.402 1.00 0.00 H new ATOM 0 HB3 PHE B 62 23.500 13.437 -23.935 1.00 0.00 H new ATOM 0 HD1 PHE B 62 20.220 14.823 -25.079 1.00 0.00 H new ATOM 0 HD2 PHE B 62 22.199 12.496 -22.133 1.00 0.00 H new ATOM 0 HE1 PHE B 62 18.040 14.530 -23.891 1.00 0.00 H new ATOM 0 HE2 PHE B 62 20.048 12.160 -20.900 1.00 0.00 H new ATOM 0 HZ PHE B 62 17.976 13.021 -21.927 1.00 0.00 H new ATOM 1221 N ASP B 63 22.119 16.800 -22.258 1.00 0.00 N ATOM 1222 CA ASP B 63 22.221 17.541 -20.989 1.00 0.00 C ATOM 1223 C ASP B 63 23.572 18.321 -20.874 1.00 0.00 C ATOM 1224 O ASP B 63 23.950 18.636 -19.730 1.00 0.00 O ATOM 1225 CB ASP B 63 21.899 16.709 -19.780 1.00 0.00 C ATOM 1226 CG ASP B 63 21.348 17.461 -18.544 1.00 0.00 C ATOM 1227 OD1 ASP B 63 21.255 18.719 -18.619 1.00 0.00 O ATOM 1228 OD2 ASP B 63 21.151 16.777 -17.507 1.00 0.00 O ATOM 0 H ASP B 63 21.305 17.022 -22.831 1.00 0.00 H new ATOM 0 HA ASP B 63 21.436 18.297 -21.012 1.00 0.00 H new ATOM 0 HB2 ASP B 63 21.169 15.954 -20.072 1.00 0.00 H new ATOM 0 HB3 ASP B 63 22.804 16.180 -19.481 1.00 0.00 H new ATOM 1233 N GLY B 64 24.259 18.837 -21.945 1.00 0.00 N ATOM 1234 CA GLY B 64 25.551 19.447 -21.929 1.00 0.00 C ATOM 1235 C GLY B 64 26.785 18.524 -21.709 1.00 0.00 C ATOM 1236 O GLY B 64 27.881 19.003 -21.550 1.00 0.00 O ATOM 0 H GLY B 64 23.863 18.816 -22.885 1.00 0.00 H new ATOM 0 HA2 GLY B 64 25.687 19.969 -22.876 1.00 0.00 H new ATOM 0 HA3 GLY B 64 25.555 20.204 -21.145 1.00 0.00 H new ATOM 1240 N GLN B 65 26.542 17.256 -21.701 1.00 0.00 N ATOM 1241 CA GLN B 65 27.524 16.208 -21.457 1.00 0.00 C ATOM 1242 C GLN B 65 27.915 15.387 -22.715 1.00 0.00 C ATOM 1243 O GLN B 65 26.999 14.918 -23.395 1.00 0.00 O ATOM 1244 CB GLN B 65 27.051 15.295 -20.226 1.00 0.00 C ATOM 1245 CG GLN B 65 26.393 16.100 -19.056 1.00 0.00 C ATOM 1246 CD GLN B 65 27.370 17.089 -18.410 1.00 0.00 C ATOM 1247 OE1 GLN B 65 28.547 16.778 -18.194 1.00 0.00 O ATOM 1248 NE2 GLN B 65 26.919 18.278 -18.068 1.00 0.00 N ATOM 0 H GLN B 65 25.608 16.885 -21.872 1.00 0.00 H new ATOM 0 HA GLN B 65 28.457 16.701 -21.183 1.00 0.00 H new ATOM 0 HB2 GLN B 65 26.340 14.553 -20.589 1.00 0.00 H new ATOM 0 HB3 GLN B 65 27.912 14.749 -19.839 1.00 0.00 H new ATOM 0 HG2 GLN B 65 25.526 16.643 -19.433 1.00 0.00 H new ATOM 0 HG3 GLN B 65 26.029 15.405 -18.299 1.00 0.00 H new ATOM 0 HE21 GLN B 65 25.947 18.526 -18.250 1.00 0.00 H new ATOM 0 HE22 GLN B 65 27.542 18.951 -17.621 1.00 0.00 H new ATOM 1257 N PRO B 66 29.222 15.084 -22.794 1.00 0.00 N ATOM 1258 CA PRO B 66 29.756 14.383 -23.935 1.00 0.00 C ATOM 1259 C PRO B 66 29.217 12.959 -24.064 1.00 0.00 C ATOM 1260 O PRO B 66 29.050 12.279 -23.089 1.00 0.00 O ATOM 1261 CB PRO B 66 31.297 14.455 -23.857 1.00 0.00 C ATOM 1262 CG PRO B 66 31.575 15.599 -22.923 1.00 0.00 C ATOM 1263 CD PRO B 66 30.315 15.733 -22.081 1.00 0.00 C ATOM 0 HA PRO B 66 29.423 14.867 -24.853 1.00 0.00 H new ATOM 0 HB2 PRO B 66 31.719 13.523 -23.480 1.00 0.00 H new ATOM 0 HB3 PRO B 66 31.736 14.629 -24.839 1.00 0.00 H new ATOM 0 HG2 PRO B 66 32.447 15.398 -22.300 1.00 0.00 H new ATOM 0 HG3 PRO B 66 31.782 16.517 -23.473 1.00 0.00 H new ATOM 0 HD2 PRO B 66 30.459 15.271 -21.104 1.00 0.00 H new ATOM 0 HD3 PRO B 66 30.084 16.784 -21.906 1.00 0.00 H new ATOM 1271 N ILE B 67 28.987 12.455 -25.316 1.00 0.00 N ATOM 1272 CA ILE B 67 28.531 11.113 -25.613 1.00 0.00 C ATOM 1273 C ILE B 67 29.739 10.191 -25.930 1.00 0.00 C ATOM 1274 O ILE B 67 30.605 10.490 -26.800 1.00 0.00 O ATOM 1275 CB ILE B 67 27.412 11.126 -26.735 1.00 0.00 C ATOM 1276 CG1 ILE B 67 26.170 11.713 -26.119 1.00 0.00 C ATOM 1277 CG2 ILE B 67 26.972 9.728 -27.230 1.00 0.00 C ATOM 1278 CD1 ILE B 67 25.227 12.445 -27.022 1.00 0.00 C ATOM 0 H ILE B 67 29.128 13.015 -26.157 1.00 0.00 H new ATOM 0 HA ILE B 67 28.049 10.688 -24.732 1.00 0.00 H new ATOM 0 HB ILE B 67 27.837 11.676 -27.575 1.00 0.00 H new ATOM 0 HG12 ILE B 67 25.617 10.904 -25.641 1.00 0.00 H new ATOM 0 HG13 ILE B 67 26.478 12.398 -25.329 1.00 0.00 H new ATOM 0 HG21 ILE B 67 26.204 9.838 -27.996 1.00 0.00 H new ATOM 0 HG22 ILE B 67 27.831 9.204 -27.650 1.00 0.00 H new ATOM 0 HG23 ILE B 67 26.571 9.156 -26.394 1.00 0.00 H new ATOM 0 HD11 ILE B 67 24.380 12.812 -26.443 1.00 0.00 H new ATOM 0 HD12 ILE B 67 25.744 13.287 -27.482 1.00 0.00 H new ATOM 0 HD13 ILE B 67 24.870 11.770 -27.799 1.00 0.00 H new ATOM 1290 N ASN B 68 29.813 9.030 -25.335 1.00 0.00 N ATOM 1291 CA ASN B 68 30.745 7.943 -25.725 1.00 0.00 C ATOM 1292 C ASN B 68 30.309 7.005 -26.890 1.00 0.00 C ATOM 1293 O ASN B 68 29.138 6.694 -27.116 1.00 0.00 O ATOM 1294 CB ASN B 68 31.076 7.118 -24.352 1.00 0.00 C ATOM 1295 CG ASN B 68 31.757 8.007 -23.369 1.00 0.00 C ATOM 1296 OD1 ASN B 68 32.891 8.452 -23.560 1.00 0.00 O ATOM 1297 ND2 ASN B 68 31.044 8.261 -22.270 1.00 0.00 N ATOM 0 H ASN B 68 29.221 8.783 -24.542 1.00 0.00 H new ATOM 0 HA ASN B 68 31.625 8.410 -26.167 1.00 0.00 H new ATOM 0 HB2 ASN B 68 30.153 6.728 -23.922 1.00 0.00 H new ATOM 0 HB3 ASN B 68 31.710 6.261 -24.578 1.00 0.00 H new ATOM 0 HD21 ASN B 68 31.433 8.851 -21.534 1.00 0.00 H new ATOM 0 HD22 ASN B 68 30.110 7.865 -22.166 1.00 0.00 H new ATOM 1304 N GLU B 69 31.336 6.451 -27.609 1.00 0.00 N ATOM 1305 CA GLU B 69 31.065 5.214 -28.443 1.00 0.00 C ATOM 1306 C GLU B 69 30.539 4.054 -27.599 1.00 0.00 C ATOM 1307 O GLU B 69 29.722 3.297 -28.110 1.00 0.00 O ATOM 1308 CB GLU B 69 32.338 4.760 -29.165 1.00 0.00 C ATOM 1309 CG GLU B 69 32.472 5.580 -30.434 1.00 0.00 C ATOM 1310 CD GLU B 69 33.686 5.198 -31.156 1.00 0.00 C ATOM 1311 OE1 GLU B 69 33.709 4.083 -31.768 1.00 0.00 O ATOM 1312 OE2 GLU B 69 34.669 5.975 -31.050 1.00 0.00 O ATOM 0 H GLU B 69 32.293 6.802 -27.637 1.00 0.00 H new ATOM 0 HA GLU B 69 30.300 5.490 -29.169 1.00 0.00 H new ATOM 0 HB2 GLU B 69 33.210 4.901 -28.526 1.00 0.00 H new ATOM 0 HB3 GLU B 69 32.284 3.697 -29.401 1.00 0.00 H new ATOM 0 HG2 GLU B 69 31.599 5.427 -31.069 1.00 0.00 H new ATOM 0 HG3 GLU B 69 32.505 6.641 -30.188 1.00 0.00 H new ATOM 1319 N THR B 70 30.844 3.981 -26.326 1.00 0.00 N ATOM 1320 CA THR B 70 30.338 2.981 -25.414 1.00 0.00 C ATOM 1321 C THR B 70 28.898 3.337 -24.778 1.00 0.00 C ATOM 1322 O THR B 70 28.276 2.469 -24.126 1.00 0.00 O ATOM 1323 CB THR B 70 31.384 2.817 -24.234 1.00 0.00 C ATOM 1324 OG1 THR B 70 31.665 4.038 -23.645 1.00 0.00 O ATOM 1325 CG2 THR B 70 32.765 2.209 -24.720 1.00 0.00 C ATOM 0 H THR B 70 31.477 4.643 -25.878 1.00 0.00 H new ATOM 0 HA THR B 70 30.205 2.064 -25.989 1.00 0.00 H new ATOM 0 HB THR B 70 30.914 2.135 -23.525 1.00 0.00 H new ATOM 0 HG1 THR B 70 32.311 3.910 -22.919 1.00 0.00 H new ATOM 0 HG21 THR B 70 33.442 2.119 -23.871 1.00 0.00 H new ATOM 0 HG22 THR B 70 32.596 1.224 -25.155 1.00 0.00 H new ATOM 0 HG23 THR B 70 33.208 2.865 -25.469 1.00 0.00 H new ATOM 1333 N ASP B 71 28.384 4.568 -24.989 1.00 0.00 N ATOM 1334 CA ASP B 71 27.068 4.843 -24.471 1.00 0.00 C ATOM 1335 C ASP B 71 25.958 4.213 -25.307 1.00 0.00 C ATOM 1336 O ASP B 71 26.142 3.966 -26.516 1.00 0.00 O ATOM 1337 CB ASP B 71 26.842 6.346 -24.300 1.00 0.00 C ATOM 1338 CG ASP B 71 27.533 7.023 -23.096 1.00 0.00 C ATOM 1339 OD1 ASP B 71 27.554 6.387 -22.022 1.00 0.00 O ATOM 1340 OD2 ASP B 71 28.139 8.080 -23.257 1.00 0.00 O ATOM 0 H ASP B 71 28.843 5.332 -25.486 1.00 0.00 H new ATOM 0 HA ASP B 71 27.021 4.375 -23.488 1.00 0.00 H new ATOM 0 HB2 ASP B 71 27.178 6.845 -25.209 1.00 0.00 H new ATOM 0 HB3 ASP B 71 25.769 6.521 -24.218 1.00 0.00 H new ATOM 1345 N THR B 72 24.776 3.987 -24.664 1.00 0.00 N ATOM 1346 CA THR B 72 23.540 3.423 -25.297 1.00 0.00 C ATOM 1347 C THR B 72 22.383 4.290 -24.797 1.00 0.00 C ATOM 1348 O THR B 72 22.548 5.001 -23.772 1.00 0.00 O ATOM 1349 CB THR B 72 23.281 1.989 -24.735 1.00 0.00 C ATOM 1350 OG1 THR B 72 22.757 1.977 -23.383 1.00 0.00 O ATOM 1351 CG2 THR B 72 24.482 1.021 -24.804 1.00 0.00 C ATOM 0 H THR B 72 24.650 4.195 -23.673 1.00 0.00 H new ATOM 0 HA THR B 72 23.635 3.399 -26.383 1.00 0.00 H new ATOM 0 HB THR B 72 22.521 1.620 -25.424 1.00 0.00 H new ATOM 0 HG1 THR B 72 22.617 1.051 -23.095 1.00 0.00 H new ATOM 0 HG21 THR B 72 24.195 0.055 -24.389 1.00 0.00 H new ATOM 0 HG22 THR B 72 24.787 0.893 -25.843 1.00 0.00 H new ATOM 0 HG23 THR B 72 25.313 1.431 -24.229 1.00 0.00 H new ATOM 1359 N PRO B 73 21.197 4.252 -25.489 1.00 0.00 N ATOM 1360 CA PRO B 73 19.911 4.704 -24.876 1.00 0.00 C ATOM 1361 C PRO B 73 19.708 4.312 -23.373 1.00 0.00 C ATOM 1362 O PRO B 73 19.275 5.131 -22.563 1.00 0.00 O ATOM 1363 CB PRO B 73 18.758 4.212 -25.694 1.00 0.00 C ATOM 1364 CG PRO B 73 19.378 3.928 -27.045 1.00 0.00 C ATOM 1365 CD PRO B 73 20.861 3.599 -26.801 1.00 0.00 C ATOM 0 HA PRO B 73 19.960 5.793 -24.880 1.00 0.00 H new ATOM 0 HB2 PRO B 73 18.312 3.317 -25.261 1.00 0.00 H new ATOM 0 HB3 PRO B 73 17.968 4.960 -25.764 1.00 0.00 H new ATOM 0 HG2 PRO B 73 18.873 3.094 -27.533 1.00 0.00 H new ATOM 0 HG3 PRO B 73 19.278 4.791 -27.704 1.00 0.00 H new ATOM 0 HD2 PRO B 73 21.024 2.522 -26.758 1.00 0.00 H new ATOM 0 HD3 PRO B 73 21.488 3.985 -27.605 1.00 0.00 H new ATOM 1373 N ALA B 74 20.045 3.045 -23.000 1.00 0.00 N ATOM 1374 CA ALA B 74 19.843 2.512 -21.635 1.00 0.00 C ATOM 1375 C ALA B 74 20.935 2.910 -20.582 1.00 0.00 C ATOM 1376 O ALA B 74 20.626 2.910 -19.399 1.00 0.00 O ATOM 1377 CB ALA B 74 19.476 1.071 -21.854 1.00 0.00 C ATOM 0 H ALA B 74 20.463 2.371 -23.641 1.00 0.00 H new ATOM 0 HA ALA B 74 19.030 2.988 -21.087 1.00 0.00 H new ATOM 0 HB1 ALA B 74 19.306 0.589 -20.892 1.00 0.00 H new ATOM 0 HB2 ALA B 74 18.568 1.014 -22.454 1.00 0.00 H new ATOM 0 HB3 ALA B 74 20.288 0.564 -22.375 1.00 0.00 H new ATOM 1383 N GLN B 75 22.035 3.477 -21.116 1.00 0.00 N ATOM 1384 CA GLN B 75 23.162 3.945 -20.389 1.00 0.00 C ATOM 1385 C GLN B 75 23.017 5.401 -19.956 1.00 0.00 C ATOM 1386 O GLN B 75 23.388 5.762 -18.882 1.00 0.00 O ATOM 1387 CB GLN B 75 24.436 3.561 -21.164 1.00 0.00 C ATOM 1388 CG GLN B 75 25.790 4.104 -20.621 1.00 0.00 C ATOM 1389 CD GLN B 75 26.183 3.609 -19.252 1.00 0.00 C ATOM 1390 OE1 GLN B 75 25.858 2.494 -18.809 1.00 0.00 O ATOM 1391 NE2 GLN B 75 26.828 4.441 -18.441 1.00 0.00 N ATOM 0 H GLN B 75 22.136 3.614 -22.122 1.00 0.00 H new ATOM 0 HA GLN B 75 23.243 3.449 -19.422 1.00 0.00 H new ATOM 0 HB2 GLN B 75 24.497 2.473 -21.196 1.00 0.00 H new ATOM 0 HB3 GLN B 75 24.322 3.904 -22.192 1.00 0.00 H new ATOM 0 HG2 GLN B 75 26.578 3.837 -21.325 1.00 0.00 H new ATOM 0 HG3 GLN B 75 25.741 5.193 -20.595 1.00 0.00 H new ATOM 0 HE21 GLN B 75 27.108 5.363 -18.774 1.00 0.00 H new ATOM 0 HE22 GLN B 75 27.043 4.157 -17.485 1.00 0.00 H new ATOM 1400 N LEU B 76 22.301 6.192 -20.724 1.00 0.00 N ATOM 1401 CA LEU B 76 21.984 7.615 -20.489 1.00 0.00 C ATOM 1402 C LEU B 76 20.586 7.813 -19.826 1.00 0.00 C ATOM 1403 O LEU B 76 20.158 8.931 -19.737 1.00 0.00 O ATOM 1404 CB LEU B 76 22.300 8.288 -21.847 1.00 0.00 C ATOM 1405 CG LEU B 76 23.789 8.492 -22.257 1.00 0.00 C ATOM 1406 CD1 LEU B 76 23.868 9.285 -23.571 1.00 0.00 C ATOM 1407 CD2 LEU B 76 24.669 9.172 -21.272 1.00 0.00 C ATOM 0 H LEU B 76 21.889 5.851 -21.593 1.00 0.00 H new ATOM 0 HA LEU B 76 22.580 8.117 -19.726 1.00 0.00 H new ATOM 0 HB2 LEU B 76 21.821 7.696 -22.627 1.00 0.00 H new ATOM 0 HB3 LEU B 76 21.820 9.267 -21.849 1.00 0.00 H new ATOM 0 HG LEU B 76 24.166 7.473 -22.343 1.00 0.00 H new ATOM 0 HD11 LEU B 76 24.912 9.423 -23.850 1.00 0.00 H new ATOM 0 HD12 LEU B 76 23.351 8.737 -24.359 1.00 0.00 H new ATOM 0 HD13 LEU B 76 23.396 10.259 -23.437 1.00 0.00 H new ATOM 0 HD21 LEU B 76 25.677 9.251 -21.679 1.00 0.00 H new ATOM 0 HD22 LEU B 76 24.281 10.170 -21.066 1.00 0.00 H new ATOM 0 HD23 LEU B 76 24.695 8.595 -20.348 1.00 0.00 H new ATOM 1419 N GLU B 77 19.864 6.719 -19.443 1.00 0.00 N ATOM 1420 CA GLU B 77 18.410 6.690 -19.023 1.00 0.00 C ATOM 1421 C GLU B 77 17.485 7.439 -20.022 1.00 0.00 C ATOM 1422 O GLU B 77 16.680 8.292 -19.627 1.00 0.00 O ATOM 1423 CB GLU B 77 18.369 7.272 -17.582 1.00 0.00 C ATOM 1424 CG GLU B 77 19.239 6.651 -16.461 1.00 0.00 C ATOM 1425 CD GLU B 77 18.990 5.137 -16.226 1.00 0.00 C ATOM 1426 OE1 GLU B 77 17.975 4.527 -16.695 1.00 0.00 O ATOM 1427 OE2 GLU B 77 19.767 4.499 -15.484 1.00 0.00 O ATOM 0 H GLU B 77 20.286 5.791 -19.414 1.00 0.00 H new ATOM 0 HA GLU B 77 18.017 5.674 -19.031 1.00 0.00 H new ATOM 0 HB2 GLU B 77 18.638 8.326 -17.652 1.00 0.00 H new ATOM 0 HB3 GLU B 77 17.333 7.229 -17.247 1.00 0.00 H new ATOM 0 HG2 GLU B 77 20.290 6.801 -16.708 1.00 0.00 H new ATOM 0 HG3 GLU B 77 19.050 7.187 -15.531 1.00 0.00 H new ATOM 1434 N MET B 78 17.642 7.268 -21.319 1.00 0.00 N ATOM 1435 CA MET B 78 16.838 7.903 -22.379 1.00 0.00 C ATOM 1436 C MET B 78 15.508 7.262 -22.602 1.00 0.00 C ATOM 1437 O MET B 78 15.303 6.050 -22.465 1.00 0.00 O ATOM 1438 CB MET B 78 17.582 7.944 -23.706 1.00 0.00 C ATOM 1439 CG MET B 78 19.029 8.336 -23.529 1.00 0.00 C ATOM 1440 SD MET B 78 19.844 8.915 -25.073 1.00 0.00 S ATOM 1441 CE MET B 78 19.336 10.598 -25.198 1.00 0.00 C ATOM 0 H MET B 78 18.365 6.655 -21.695 1.00 0.00 H new ATOM 0 HA MET B 78 16.664 8.914 -22.012 1.00 0.00 H new ATOM 0 HB2 MET B 78 17.527 6.966 -24.183 1.00 0.00 H new ATOM 0 HB3 MET B 78 17.093 8.653 -24.374 1.00 0.00 H new ATOM 0 HG2 MET B 78 19.091 9.125 -22.780 1.00 0.00 H new ATOM 0 HG3 MET B 78 19.581 7.481 -23.138 1.00 0.00 H new ATOM 0 HE1 MET B 78 19.770 11.044 -26.093 1.00 0.00 H new ATOM 0 HE2 MET B 78 18.249 10.646 -25.259 1.00 0.00 H new ATOM 0 HE3 MET B 78 19.675 11.147 -24.319 1.00 0.00 H new ATOM 1451 N GLU B 79 14.611 8.189 -23.010 1.00 0.00 N ATOM 1452 CA GLU B 79 13.212 8.081 -23.330 1.00 0.00 C ATOM 1453 C GLU B 79 13.006 8.610 -24.751 1.00 0.00 C ATOM 1454 O GLU B 79 13.678 9.547 -25.293 1.00 0.00 O ATOM 1455 CB GLU B 79 12.288 8.953 -22.305 1.00 0.00 C ATOM 1456 CG GLU B 79 12.550 8.509 -20.822 1.00 0.00 C ATOM 1457 CD GLU B 79 12.268 7.017 -20.577 1.00 0.00 C ATOM 1458 OE1 GLU B 79 11.680 6.353 -21.465 1.00 0.00 O ATOM 1459 OE2 GLU B 79 12.885 6.403 -19.680 1.00 0.00 O ATOM 0 H GLU B 79 14.919 9.154 -23.131 1.00 0.00 H new ATOM 0 HA GLU B 79 12.915 7.036 -23.244 1.00 0.00 H new ATOM 0 HB2 GLU B 79 12.510 10.014 -22.418 1.00 0.00 H new ATOM 0 HB3 GLU B 79 11.235 8.819 -22.551 1.00 0.00 H new ATOM 0 HG2 GLU B 79 13.587 8.723 -20.563 1.00 0.00 H new ATOM 0 HG3 GLU B 79 11.926 9.104 -20.156 1.00 0.00 H new ATOM 1466 N ASP B 80 11.962 8.144 -25.313 1.00 0.00 N ATOM 1467 CA ASP B 80 11.651 8.622 -26.647 1.00 0.00 C ATOM 1468 C ASP B 80 11.348 10.135 -26.780 1.00 0.00 C ATOM 1469 O ASP B 80 10.921 10.737 -25.798 1.00 0.00 O ATOM 1470 CB ASP B 80 10.492 7.936 -27.173 1.00 0.00 C ATOM 1471 CG ASP B 80 10.583 6.431 -26.928 1.00 0.00 C ATOM 1472 OD1 ASP B 80 10.384 5.935 -25.834 1.00 0.00 O ATOM 1473 OD2 ASP B 80 10.727 5.734 -27.974 1.00 0.00 O ATOM 0 H ASP B 80 11.318 7.462 -24.914 1.00 0.00 H new ATOM 0 HA ASP B 80 12.569 8.419 -27.198 1.00 0.00 H new ATOM 0 HB2 ASP B 80 9.590 8.329 -26.705 1.00 0.00 H new ATOM 0 HB3 ASP B 80 10.406 8.129 -28.242 1.00 0.00 H new ATOM 1478 N GLU B 81 11.710 10.662 -27.935 1.00 0.00 N ATOM 1479 CA GLU B 81 11.730 12.074 -28.301 1.00 0.00 C ATOM 1480 C GLU B 81 12.714 12.950 -27.442 1.00 0.00 C ATOM 1481 O GLU B 81 12.666 14.192 -27.581 1.00 0.00 O ATOM 1482 CB GLU B 81 10.358 12.806 -28.418 1.00 0.00 C ATOM 1483 CG GLU B 81 9.424 12.193 -29.474 1.00 0.00 C ATOM 1484 CD GLU B 81 8.062 12.948 -29.555 1.00 0.00 C ATOM 1485 OE1 GLU B 81 7.181 12.811 -28.708 1.00 0.00 O ATOM 1486 OE2 GLU B 81 7.914 13.815 -30.436 1.00 0.00 O ATOM 0 H GLU B 81 12.023 10.071 -28.705 1.00 0.00 H new ATOM 0 HA GLU B 81 12.108 11.991 -29.320 1.00 0.00 H new ATOM 0 HB2 GLU B 81 9.860 12.785 -27.448 1.00 0.00 H new ATOM 0 HB3 GLU B 81 10.534 13.853 -28.664 1.00 0.00 H new ATOM 0 HG2 GLU B 81 9.912 12.219 -30.448 1.00 0.00 H new ATOM 0 HG3 GLU B 81 9.244 11.145 -29.235 1.00 0.00 H new ATOM 1493 N ASP B 82 13.609 12.367 -26.621 1.00 0.00 N ATOM 1494 CA ASP B 82 14.817 12.999 -26.030 1.00 0.00 C ATOM 1495 C ASP B 82 15.768 13.443 -27.185 1.00 0.00 C ATOM 1496 O ASP B 82 15.926 12.703 -28.197 1.00 0.00 O ATOM 1497 CB ASP B 82 15.485 12.147 -24.939 1.00 0.00 C ATOM 1498 CG ASP B 82 14.746 11.931 -23.641 1.00 0.00 C ATOM 1499 OD1 ASP B 82 13.811 12.720 -23.356 1.00 0.00 O ATOM 1500 OD2 ASP B 82 15.200 11.153 -22.852 1.00 0.00 O ATOM 0 H ASP B 82 13.509 11.393 -26.334 1.00 0.00 H new ATOM 0 HA ASP B 82 14.520 13.892 -25.480 1.00 0.00 H new ATOM 0 HB2 ASP B 82 15.697 11.167 -25.367 1.00 0.00 H new ATOM 0 HB3 ASP B 82 16.445 12.606 -24.702 1.00 0.00 H new ATOM 1505 N THR B 83 16.290 14.682 -27.158 1.00 0.00 N ATOM 1506 CA THR B 83 17.108 15.265 -28.293 1.00 0.00 C ATOM 1507 C THR B 83 18.571 15.274 -27.922 1.00 0.00 C ATOM 1508 O THR B 83 19.042 15.894 -26.965 1.00 0.00 O ATOM 1509 CB THR B 83 16.610 16.684 -28.596 1.00 0.00 C ATOM 1510 OG1 THR B 83 15.191 16.746 -28.829 1.00 0.00 O ATOM 1511 CG2 THR B 83 17.145 17.235 -29.882 1.00 0.00 C ATOM 0 H THR B 83 16.172 15.319 -26.370 1.00 0.00 H new ATOM 0 HA THR B 83 16.990 14.652 -29.187 1.00 0.00 H new ATOM 0 HB THR B 83 16.936 17.235 -27.714 1.00 0.00 H new ATOM 0 HG1 THR B 83 14.930 17.672 -29.015 1.00 0.00 H new ATOM 0 HG21 THR B 83 16.755 18.241 -30.037 1.00 0.00 H new ATOM 0 HG22 THR B 83 18.234 17.271 -29.838 1.00 0.00 H new ATOM 0 HG23 THR B 83 16.837 16.595 -30.708 1.00 0.00 H new ATOM 1519 N ILE B 84 19.422 14.698 -28.819 1.00 0.00 N ATOM 1520 CA ILE B 84 20.884 14.872 -28.761 1.00 0.00 C ATOM 1521 C ILE B 84 21.357 16.066 -29.697 1.00 0.00 C ATOM 1522 O ILE B 84 20.964 16.284 -30.885 1.00 0.00 O ATOM 1523 CB ILE B 84 21.510 13.502 -29.227 1.00 0.00 C ATOM 1524 CG1 ILE B 84 21.099 12.295 -28.399 1.00 0.00 C ATOM 1525 CG2 ILE B 84 23.065 13.626 -29.310 1.00 0.00 C ATOM 1526 CD1 ILE B 84 21.319 10.929 -29.125 1.00 0.00 C ATOM 0 H ILE B 84 19.108 14.109 -29.590 1.00 0.00 H new ATOM 0 HA ILE B 84 21.209 15.129 -27.753 1.00 0.00 H new ATOM 0 HB ILE B 84 21.097 13.308 -30.217 1.00 0.00 H new ATOM 0 HG12 ILE B 84 21.664 12.296 -27.467 1.00 0.00 H new ATOM 0 HG13 ILE B 84 20.046 12.389 -28.133 1.00 0.00 H new ATOM 0 HG21 ILE B 84 23.489 12.675 -29.633 1.00 0.00 H new ATOM 0 HG22 ILE B 84 23.330 14.403 -30.027 1.00 0.00 H new ATOM 0 HG23 ILE B 84 23.462 13.886 -28.329 1.00 0.00 H new ATOM 0 HD11 ILE B 84 21.003 10.115 -28.472 1.00 0.00 H new ATOM 0 HD12 ILE B 84 20.732 10.906 -30.043 1.00 0.00 H new ATOM 0 HD13 ILE B 84 22.375 10.811 -29.366 1.00 0.00 H new ATOM 1538 N ASP B 85 22.052 17.011 -29.003 1.00 0.00 N ATOM 1539 CA ASP B 85 22.662 18.184 -29.641 1.00 0.00 C ATOM 1540 C ASP B 85 24.027 17.905 -30.264 1.00 0.00 C ATOM 1541 O ASP B 85 24.865 17.210 -29.667 1.00 0.00 O ATOM 1542 CB ASP B 85 22.781 19.263 -28.553 1.00 0.00 C ATOM 1543 CG ASP B 85 21.427 19.485 -27.871 1.00 0.00 C ATOM 1544 OD1 ASP B 85 20.538 20.116 -28.430 1.00 0.00 O ATOM 1545 OD2 ASP B 85 21.357 19.147 -26.658 1.00 0.00 O ATOM 0 H ASP B 85 22.197 16.970 -27.994 1.00 0.00 H new ATOM 0 HA ASP B 85 22.032 18.501 -30.472 1.00 0.00 H new ATOM 0 HB2 ASP B 85 23.523 18.962 -27.813 1.00 0.00 H new ATOM 0 HB3 ASP B 85 23.131 20.196 -28.994 1.00 0.00 H new ATOM 1550 N VAL B 86 24.398 18.635 -31.307 1.00 0.00 N ATOM 1551 CA VAL B 86 25.755 18.551 -31.929 1.00 0.00 C ATOM 1552 C VAL B 86 26.323 19.968 -31.957 1.00 0.00 C ATOM 1553 O VAL B 86 25.653 20.962 -32.316 1.00 0.00 O ATOM 1554 CB VAL B 86 25.644 17.941 -33.319 1.00 0.00 C ATOM 1555 CG1 VAL B 86 26.980 17.601 -33.970 1.00 0.00 C ATOM 1556 CG2 VAL B 86 24.866 16.641 -33.140 1.00 0.00 C ATOM 0 H VAL B 86 23.782 19.309 -31.762 1.00 0.00 H new ATOM 0 HA VAL B 86 26.426 17.907 -31.360 1.00 0.00 H new ATOM 0 HB VAL B 86 25.168 18.672 -33.973 1.00 0.00 H new ATOM 0 HG11 VAL B 86 26.805 17.172 -34.957 1.00 0.00 H new ATOM 0 HG12 VAL B 86 27.577 18.507 -34.069 1.00 0.00 H new ATOM 0 HG13 VAL B 86 27.514 16.881 -33.350 1.00 0.00 H new ATOM 0 HG21 VAL B 86 24.750 16.150 -34.106 1.00 0.00 H new ATOM 0 HG22 VAL B 86 25.408 15.983 -32.461 1.00 0.00 H new ATOM 0 HG23 VAL B 86 23.882 16.860 -32.724 1.00 0.00 H new ATOM 1566 N PHE B 87 27.562 20.109 -31.492 1.00 0.00 N ATOM 1567 CA PHE B 87 28.438 21.273 -31.745 1.00 0.00 C ATOM 1568 C PHE B 87 29.605 20.936 -32.653 1.00 0.00 C ATOM 1569 O PHE B 87 29.732 19.737 -32.980 1.00 0.00 O ATOM 1570 CB PHE B 87 28.898 21.729 -30.337 1.00 0.00 C ATOM 1571 CG PHE B 87 27.760 22.148 -29.377 1.00 0.00 C ATOM 1572 CD1 PHE B 87 26.997 21.165 -28.628 1.00 0.00 C ATOM 1573 CD2 PHE B 87 27.337 23.511 -29.461 1.00 0.00 C ATOM 1574 CE1 PHE B 87 25.854 21.532 -27.960 1.00 0.00 C ATOM 1575 CE2 PHE B 87 26.234 23.885 -28.630 1.00 0.00 C ATOM 1576 CZ PHE B 87 25.518 22.937 -27.869 1.00 0.00 C ATOM 0 H PHE B 87 28.007 19.400 -30.910 1.00 0.00 H new ATOM 0 HA PHE B 87 27.913 22.066 -32.278 1.00 0.00 H new ATOM 0 HB2 PHE B 87 29.461 20.918 -29.876 1.00 0.00 H new ATOM 0 HB3 PHE B 87 29.584 22.569 -30.450 1.00 0.00 H new ATOM 0 HD1 PHE B 87 27.331 20.138 -28.596 1.00 0.00 H new ATOM 0 HD2 PHE B 87 27.823 24.219 -30.116 1.00 0.00 H new ATOM 0 HE1 PHE B 87 25.217 20.785 -27.510 1.00 0.00 H new ATOM 0 HE2 PHE B 87 25.941 24.923 -28.584 1.00 0.00 H new ATOM 0 HZ PHE B 87 24.719 23.260 -27.218 1.00 0.00 H new ATOM 1586 N GLN B 88 30.454 21.788 -32.997 1.00 0.00 N ATOM 1587 CA GLN B 88 31.817 21.478 -33.454 1.00 0.00 C ATOM 1588 C GLN B 88 32.907 21.875 -32.402 1.00 0.00 C ATOM 1589 O GLN B 88 32.693 22.746 -31.542 1.00 0.00 O ATOM 1590 CB GLN B 88 32.110 22.124 -34.737 1.00 0.00 C ATOM 1591 CG GLN B 88 31.242 21.579 -35.901 1.00 0.00 C ATOM 1592 CD GLN B 88 31.524 22.293 -37.176 1.00 0.00 C ATOM 1593 OE1 GLN B 88 32.276 23.287 -37.281 1.00 0.00 O ATOM 1594 NE2 GLN B 88 31.115 21.759 -38.296 1.00 0.00 N ATOM 0 H GLN B 88 30.257 22.789 -32.985 1.00 0.00 H new ATOM 0 HA GLN B 88 31.854 20.396 -33.582 1.00 0.00 H new ATOM 0 HB2 GLN B 88 31.948 23.198 -34.642 1.00 0.00 H new ATOM 0 HB3 GLN B 88 33.163 21.980 -34.978 1.00 0.00 H new ATOM 0 HG2 GLN B 88 31.433 20.514 -36.030 1.00 0.00 H new ATOM 0 HG3 GLN B 88 30.187 21.685 -35.649 1.00 0.00 H new ATOM 0 HE21 GLN B 88 30.500 20.946 -38.278 1.00 0.00 H new ATOM 0 HE22 GLN B 88 31.411 22.155 -39.188 1.00 0.00 H new ATOM 1603 N GLN B 89 34.110 21.412 -32.614 1.00 0.00 N ATOM 1604 CA GLN B 89 35.394 21.827 -32.037 1.00 0.00 C ATOM 1605 C GLN B 89 35.853 23.067 -32.822 1.00 0.00 C ATOM 1606 O GLN B 89 35.622 23.236 -34.023 1.00 0.00 O ATOM 1607 CB GLN B 89 36.339 20.624 -31.959 1.00 0.00 C ATOM 1608 CG GLN B 89 37.561 20.807 -31.042 1.00 0.00 C ATOM 1609 CD GLN B 89 37.147 21.204 -29.621 1.00 0.00 C ATOM 1610 OE1 GLN B 89 37.020 22.361 -29.336 1.00 0.00 O ATOM 1611 NE2 GLN B 89 37.043 20.309 -28.686 1.00 0.00 N ATOM 0 H GLN B 89 34.246 20.643 -33.271 1.00 0.00 H new ATOM 0 HA GLN B 89 35.345 22.147 -30.996 1.00 0.00 H new ATOM 0 HB2 GLN B 89 35.772 19.759 -31.614 1.00 0.00 H new ATOM 0 HB3 GLN B 89 36.691 20.393 -32.964 1.00 0.00 H new ATOM 0 HG2 GLN B 89 38.134 19.880 -31.009 1.00 0.00 H new ATOM 0 HG3 GLN B 89 38.217 21.572 -31.457 1.00 0.00 H new ATOM 0 HE21 GLN B 89 37.149 19.320 -28.913 1.00 0.00 H new ATOM 0 HE22 GLN B 89 36.856 20.595 -27.725 1.00 0.00 H new