USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=15 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 Single : B 17 HIS : no HE2:sc= -0.526 K(o=-0.53,f=-1.2) USER MOD Single : B 19 ASN : amide:sc= 0.594 K(o=0.59,f=-0.17) USER MOD Single : B 21 LYS NZ :NH3+ -152:sc= 0.292 (180deg=0.0669) USER MOD Single : B 25 GLN : amide:sc= 1.04 K(o=1,f=-0.11) USER MOD Single : B 28 SER OG : rot -70:sc= 1.24 USER MOD Single : B 31 GLN : amide:sc= 0 K(o=0,f=-1.1) 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= 0.227 K(o=0.23,f=-1.6) USER MOD Single : B 38 THR OG1 : rot -140:sc= 0.581 USER MOD Single : B 41 SER OG : rot 180:sc= 0 USER MOD Single : B 42 LYS NZ :NH3+ -166:sc=-0.00793 (180deg=-0.117) USER MOD Single : B 44 MET CE :methyl -156:sc= -1.46 (180deg=-2.7) 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 -71:sc= -0.722 USER MOD Single : B 51 GLN : amide:sc= -0.13 X(o=-0.13,f=-0.22) USER MOD Single : B 54 SER OG : rot 180:sc= 0.00965 USER MOD Single : B 55 MET CE :methyl -177:sc= -0.976 (180deg=-1.03) USER MOD Single : B 57 GLN : amide:sc= -1.3 X(o=-1.3,f=-1.7) USER MOD Single : B 65 GLN : amide:sc= 0.717 K(o=0.72,f=0) USER MOD Single : B 68 ASN : amide:sc= 0.0072 X(o=0.0072,f=0) USER MOD Single : B 70 THR OG1 : rot 180:sc= 0.0118 USER MOD Single : B 72 THR OG1 : rot -150:sc= -0.158 USER MOD Single : B 75 GLN : amide:sc= 0 K(o=0,f=-2!) USER MOD Single : B 78 MET CE :methyl 147:sc= -0.318 (180deg=-1.58) USER MOD Single : B 83 THR OG1 : rot 180:sc= -0.0635 USER MOD Single : B 88 GLN : amide:sc= 0 X(o=0,f=-0.016) USER MOD Single : B 89 GLN : amide:sc= 0.816 K(o=0.82,f=-0.049) USER MOD ----------------------------------------------------------------- ATOM 22 N ASP A 38 13.258 12.427 -46.076 1.00 0.00 N ATOM 23 CA ASP A 38 13.863 11.155 -45.658 1.00 0.00 C ATOM 24 C ASP A 38 14.252 11.094 -44.121 1.00 0.00 C ATOM 25 O ASP A 38 15.385 10.739 -43.669 1.00 0.00 O ATOM 26 CB ASP A 38 15.112 10.837 -46.559 1.00 0.00 C ATOM 27 CG ASP A 38 15.709 9.447 -46.330 1.00 0.00 C ATOM 28 OD1 ASP A 38 15.205 8.594 -45.531 1.00 0.00 O ATOM 29 OD2 ASP A 38 16.789 9.228 -46.981 1.00 0.00 O ATOM 0 HA ASP A 38 13.097 10.392 -45.794 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.824 10.929 -47.606 1.00 0.00 H new ATOM 0 HB3 ASP A 38 15.881 11.586 -46.373 1.00 0.00 H new ATOM 34 N ALA A 39 13.305 11.607 -43.284 1.00 0.00 N ATOM 35 CA ALA A 39 13.550 11.867 -41.924 1.00 0.00 C ATOM 36 C ALA A 39 13.431 10.670 -40.946 1.00 0.00 C ATOM 37 O ALA A 39 12.826 10.697 -39.873 1.00 0.00 O ATOM 38 CB ALA A 39 12.716 13.041 -41.485 1.00 0.00 C ATOM 0 H ALA A 39 12.358 11.837 -43.584 1.00 0.00 H new ATOM 0 HA ALA A 39 14.613 12.101 -41.865 1.00 0.00 H new ATOM 0 HB1 ALA A 39 12.903 13.246 -40.431 1.00 0.00 H new ATOM 0 HB2 ALA A 39 12.980 13.917 -42.078 1.00 0.00 H new ATOM 0 HB3 ALA A 39 11.660 12.811 -41.628 1.00 0.00 H new ATOM 44 N PHE A 40 14.158 9.585 -41.295 1.00 0.00 N ATOM 45 CA PHE A 40 13.973 8.339 -40.661 1.00 0.00 C ATOM 46 C PHE A 40 15.254 7.534 -40.869 1.00 0.00 C ATOM 47 O PHE A 40 15.867 7.497 -41.935 1.00 0.00 O ATOM 48 CB PHE A 40 12.687 7.669 -41.225 1.00 0.00 C ATOM 49 CG PHE A 40 11.940 6.782 -40.209 1.00 0.00 C ATOM 50 CD1 PHE A 40 11.023 7.382 -39.312 1.00 0.00 C ATOM 51 CD2 PHE A 40 12.045 5.370 -40.222 1.00 0.00 C ATOM 52 CE1 PHE A 40 10.304 6.633 -38.419 1.00 0.00 C ATOM 53 CE2 PHE A 40 11.349 4.516 -39.290 1.00 0.00 C ATOM 54 CZ PHE A 40 10.438 5.232 -38.385 1.00 0.00 C ATOM 0 H PHE A 40 14.874 9.587 -42.022 1.00 0.00 H new ATOM 0 HA PHE A 40 13.810 8.423 -39.586 1.00 0.00 H new ATOM 0 HB2 PHE A 40 12.010 8.447 -41.578 1.00 0.00 H new ATOM 0 HB3 PHE A 40 12.956 7.064 -42.091 1.00 0.00 H new ATOM 0 HD1 PHE A 40 10.888 8.453 -39.333 1.00 0.00 H new ATOM 0 HD2 PHE A 40 12.677 4.909 -40.966 1.00 0.00 H new ATOM 0 HE1 PHE A 40 9.627 7.122 -37.734 1.00 0.00 H new ATOM 0 HE2 PHE A 40 11.485 3.445 -39.260 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.855 4.667 -37.673 1.00 0.00 H new ATOM 64 N ILE A 41 15.750 6.896 -39.853 1.00 0.00 N ATOM 65 CA ILE A 41 16.946 6.048 -39.848 1.00 0.00 C ATOM 66 C ILE A 41 16.642 4.887 -38.859 1.00 0.00 C ATOM 67 O ILE A 41 16.007 5.117 -37.804 1.00 0.00 O ATOM 68 CB ILE A 41 18.157 6.903 -39.287 1.00 0.00 C ATOM 69 CG1 ILE A 41 18.565 8.190 -39.998 1.00 0.00 C ATOM 70 CG2 ILE A 41 19.368 6.011 -39.298 1.00 0.00 C ATOM 71 CD1 ILE A 41 17.775 9.413 -39.458 1.00 0.00 C ATOM 0 H ILE A 41 15.314 6.945 -38.932 1.00 0.00 H new ATOM 0 HA ILE A 41 17.195 5.674 -40.841 1.00 0.00 H new ATOM 0 HB ILE A 41 17.795 7.242 -38.316 1.00 0.00 H new ATOM 0 HG12 ILE A 41 19.634 8.358 -39.864 1.00 0.00 H new ATOM 0 HG13 ILE A 41 18.390 8.087 -41.069 1.00 0.00 H new ATOM 0 HG21 ILE A 41 20.229 6.561 -38.918 1.00 0.00 H new ATOM 0 HG22 ILE A 41 19.185 5.142 -38.666 1.00 0.00 H new ATOM 0 HG23 ILE A 41 19.569 5.683 -40.318 1.00 0.00 H new ATOM 0 HD11 ILE A 41 18.091 10.312 -39.987 1.00 0.00 H new ATOM 0 HD12 ILE A 41 16.708 9.255 -39.616 1.00 0.00 H new ATOM 0 HD13 ILE A 41 17.971 9.531 -38.392 1.00 0.00 H new ATOM 83 N VAL A 42 17.011 3.721 -39.291 1.00 0.00 N ATOM 84 CA VAL A 42 16.596 2.489 -38.622 1.00 0.00 C ATOM 85 C VAL A 42 17.717 1.519 -38.397 1.00 0.00 C ATOM 86 O VAL A 42 18.337 1.011 -39.364 1.00 0.00 O ATOM 87 CB VAL A 42 15.438 1.828 -39.350 1.00 0.00 C ATOM 88 CG1 VAL A 42 14.603 1.059 -38.306 1.00 0.00 C ATOM 89 CG2 VAL A 42 14.474 2.869 -39.885 1.00 0.00 C ATOM 0 H VAL A 42 17.603 3.578 -40.109 1.00 0.00 H new ATOM 0 HA VAL A 42 16.257 2.791 -37.631 1.00 0.00 H new ATOM 0 HB VAL A 42 15.850 1.210 -40.147 1.00 0.00 H new ATOM 0 HG11 VAL A 42 13.762 0.572 -38.800 1.00 0.00 H new ATOM 0 HG12 VAL A 42 15.227 0.306 -37.825 1.00 0.00 H new ATOM 0 HG13 VAL A 42 14.230 1.755 -37.555 1.00 0.00 H new ATOM 0 HG21 VAL A 42 13.653 2.373 -40.402 1.00 0.00 H new ATOM 0 HG22 VAL A 42 14.078 3.458 -39.057 1.00 0.00 H new ATOM 0 HG23 VAL A 42 14.997 3.526 -40.580 1.00 0.00 H new ATOM 99 N ILE A 43 18.068 1.378 -37.143 1.00 0.00 N ATOM 100 CA ILE A 43 19.354 0.709 -36.715 1.00 0.00 C ATOM 101 C ILE A 43 19.137 -0.201 -35.506 1.00 0.00 C ATOM 102 O ILE A 43 18.440 0.221 -34.548 1.00 0.00 O ATOM 103 CB ILE A 43 20.436 1.810 -36.390 1.00 0.00 C ATOM 104 CG1 ILE A 43 20.497 2.795 -37.563 1.00 0.00 C ATOM 105 CG2 ILE A 43 21.740 1.152 -36.016 1.00 0.00 C ATOM 106 CD1 ILE A 43 21.783 3.637 -37.567 1.00 0.00 C ATOM 0 H ILE A 43 17.499 1.709 -36.364 1.00 0.00 H new ATOM 0 HA ILE A 43 19.706 0.083 -37.535 1.00 0.00 H new ATOM 0 HB ILE A 43 20.171 2.405 -35.516 1.00 0.00 H new ATOM 0 HG12 ILE A 43 20.427 2.242 -38.500 1.00 0.00 H new ATOM 0 HG13 ILE A 43 19.634 3.459 -37.519 1.00 0.00 H new ATOM 0 HG21 ILE A 43 22.483 1.918 -35.793 1.00 0.00 H new ATOM 0 HG22 ILE A 43 21.592 0.523 -35.138 1.00 0.00 H new ATOM 0 HG23 ILE A 43 22.089 0.539 -36.847 1.00 0.00 H new ATOM 0 HD11 ILE A 43 21.771 4.316 -38.420 1.00 0.00 H new ATOM 0 HD12 ILE A 43 21.843 4.214 -36.644 1.00 0.00 H new ATOM 0 HD13 ILE A 43 22.649 2.979 -37.640 1.00 0.00 H new ATOM 439 N HIS B 17 10.607 -0.541 -29.666 1.00 0.00 N ATOM 440 CA HIS B 17 11.631 0.399 -30.073 1.00 0.00 C ATOM 441 C HIS B 17 11.649 1.713 -29.302 1.00 0.00 C ATOM 442 O HIS B 17 10.597 2.213 -28.894 1.00 0.00 O ATOM 443 CB HIS B 17 11.515 0.711 -31.588 1.00 0.00 C ATOM 444 CG HIS B 17 11.759 -0.523 -32.418 1.00 0.00 C ATOM 445 ND1 HIS B 17 10.749 -1.498 -32.740 1.00 0.00 N ATOM 446 CD2 HIS B 17 12.882 -0.803 -33.080 1.00 0.00 C ATOM 447 CE1 HIS B 17 11.380 -2.324 -33.540 1.00 0.00 C ATOM 448 NE2 HIS B 17 12.671 -2.016 -33.657 1.00 0.00 N ATOM 0 HA HIS B 17 12.569 -0.106 -29.842 1.00 0.00 H new ATOM 0 HB2 HIS B 17 10.524 1.109 -31.805 1.00 0.00 H new ATOM 0 HB3 HIS B 17 12.235 1.483 -31.859 1.00 0.00 H new ATOM 0 HD1 HIS B 17 9.780 -1.537 -32.423 1.00 0.00 H new ATOM 0 HD2 HIS B 17 13.772 -0.194 -33.144 1.00 0.00 H new ATOM 0 HE1 HIS B 17 10.909 -3.155 -34.044 1.00 0.00 H new ATOM 456 N ILE B 18 12.830 2.197 -28.956 1.00 0.00 N ATOM 457 CA ILE B 18 13.015 3.570 -28.439 1.00 0.00 C ATOM 458 C ILE B 18 13.460 4.504 -29.598 1.00 0.00 C ATOM 459 O ILE B 18 14.098 4.145 -30.574 1.00 0.00 O ATOM 460 CB ILE B 18 13.998 3.488 -27.276 1.00 0.00 C ATOM 461 CG1 ILE B 18 13.840 4.659 -26.301 1.00 0.00 C ATOM 462 CG2 ILE B 18 15.416 3.296 -27.826 1.00 0.00 C ATOM 463 CD1 ILE B 18 14.750 4.554 -25.095 1.00 0.00 C ATOM 0 H ILE B 18 13.695 1.661 -29.020 1.00 0.00 H new ATOM 0 HA ILE B 18 12.092 4.006 -28.058 1.00 0.00 H new ATOM 0 HB ILE B 18 13.774 2.614 -26.664 1.00 0.00 H new ATOM 0 HG12 ILE B 18 14.048 5.592 -26.826 1.00 0.00 H new ATOM 0 HG13 ILE B 18 12.804 4.707 -25.964 1.00 0.00 H new ATOM 0 HG21 ILE B 18 16.122 3.237 -26.998 1.00 0.00 H new ATOM 0 HG22 ILE B 18 15.459 2.375 -28.407 1.00 0.00 H new ATOM 0 HG23 ILE B 18 15.676 4.140 -28.465 1.00 0.00 H new ATOM 0 HD11 ILE B 18 14.591 5.413 -24.443 1.00 0.00 H new ATOM 0 HD12 ILE B 18 14.526 3.637 -24.549 1.00 0.00 H new ATOM 0 HD13 ILE B 18 15.789 4.536 -25.424 1.00 0.00 H new ATOM 475 N ASN B 19 12.895 5.713 -29.500 1.00 0.00 N ATOM 476 CA ASN B 19 12.879 6.667 -30.671 1.00 0.00 C ATOM 477 C ASN B 19 13.445 7.989 -30.212 1.00 0.00 C ATOM 478 O ASN B 19 12.743 8.903 -29.685 1.00 0.00 O ATOM 479 CB ASN B 19 11.382 6.780 -31.198 1.00 0.00 C ATOM 480 CG ASN B 19 10.854 5.423 -31.744 1.00 0.00 C ATOM 481 OD1 ASN B 19 10.929 5.003 -32.940 1.00 0.00 O ATOM 482 ND2 ASN B 19 10.300 4.588 -30.885 1.00 0.00 N ATOM 0 H ASN B 19 12.448 6.069 -28.656 1.00 0.00 H new ATOM 0 HA ASN B 19 13.494 6.318 -31.500 1.00 0.00 H new ATOM 0 HB2 ASN B 19 10.737 7.121 -30.388 1.00 0.00 H new ATOM 0 HB3 ASN B 19 11.330 7.533 -31.985 1.00 0.00 H new ATOM 0 HD21 ASN B 19 9.968 3.677 -31.201 1.00 0.00 H new ATOM 0 HD22 ASN B 19 10.204 4.854 -29.905 1.00 0.00 H new ATOM 489 N LEU B 20 14.701 8.148 -30.612 1.00 0.00 N ATOM 490 CA LEU B 20 15.504 9.258 -30.172 1.00 0.00 C ATOM 491 C LEU B 20 15.624 10.221 -31.374 1.00 0.00 C ATOM 492 O LEU B 20 15.409 9.878 -32.536 1.00 0.00 O ATOM 493 CB LEU B 20 16.926 8.807 -29.709 1.00 0.00 C ATOM 494 CG LEU B 20 16.918 7.855 -28.483 1.00 0.00 C ATOM 495 CD1 LEU B 20 18.346 7.566 -27.990 1.00 0.00 C ATOM 496 CD2 LEU B 20 16.051 8.260 -27.327 1.00 0.00 C ATOM 0 H LEU B 20 15.180 7.509 -31.247 1.00 0.00 H new ATOM 0 HA LEU B 20 15.034 9.735 -29.312 1.00 0.00 H new ATOM 0 HB2 LEU B 20 17.426 8.309 -30.540 1.00 0.00 H new ATOM 0 HB3 LEU B 20 17.515 9.691 -29.466 1.00 0.00 H new ATOM 0 HG LEU B 20 16.455 6.950 -28.875 1.00 0.00 H new ATOM 0 HD11 LEU B 20 18.306 6.897 -27.131 1.00 0.00 H new ATOM 0 HD12 LEU B 20 18.919 7.096 -28.790 1.00 0.00 H new ATOM 0 HD13 LEU B 20 18.827 8.500 -27.700 1.00 0.00 H new ATOM 0 HD21 LEU B 20 16.131 7.516 -26.534 1.00 0.00 H new ATOM 0 HD22 LEU B 20 16.377 9.229 -26.949 1.00 0.00 H new ATOM 0 HD23 LEU B 20 15.014 8.330 -27.657 1.00 0.00 H new ATOM 508 N LYS B 21 16.062 11.405 -31.051 1.00 0.00 N ATOM 509 CA LYS B 21 16.136 12.453 -32.066 1.00 0.00 C ATOM 510 C LYS B 21 17.615 12.968 -32.095 1.00 0.00 C ATOM 511 O LYS B 21 18.328 12.804 -31.064 1.00 0.00 O ATOM 512 CB LYS B 21 15.194 13.553 -31.703 1.00 0.00 C ATOM 513 CG LYS B 21 13.755 13.269 -31.874 1.00 0.00 C ATOM 514 CD LYS B 21 12.826 14.418 -31.375 1.00 0.00 C ATOM 515 CE LYS B 21 11.358 13.966 -31.313 1.00 0.00 C ATOM 516 NZ LYS B 21 10.470 15.047 -30.853 1.00 0.00 N ATOM 0 H LYS B 21 16.370 11.679 -30.118 1.00 0.00 H new ATOM 0 HA LYS B 21 15.855 12.080 -33.051 1.00 0.00 H new ATOM 0 HB2 LYS B 21 15.368 13.821 -30.661 1.00 0.00 H new ATOM 0 HB3 LYS B 21 15.443 14.428 -32.303 1.00 0.00 H new ATOM 0 HG2 LYS B 21 13.553 13.083 -32.929 1.00 0.00 H new ATOM 0 HG3 LYS B 21 13.508 12.354 -31.336 1.00 0.00 H new ATOM 0 HD2 LYS B 21 13.149 14.746 -30.387 1.00 0.00 H new ATOM 0 HD3 LYS B 21 12.916 15.276 -32.041 1.00 0.00 H new ATOM 0 HE2 LYS B 21 11.040 13.630 -32.300 1.00 0.00 H new ATOM 0 HE3 LYS B 21 11.269 13.112 -30.641 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 9.640 14.637 -30.380 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 10.983 15.657 -30.185 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 10.159 15.612 -31.669 1.00 0.00 H new ATOM 530 N VAL B 22 18.009 13.575 -33.196 1.00 0.00 N ATOM 531 CA VAL B 22 19.302 14.181 -33.334 1.00 0.00 C ATOM 532 C VAL B 22 19.258 15.550 -34.071 1.00 0.00 C ATOM 533 O VAL B 22 18.609 15.604 -35.161 1.00 0.00 O ATOM 534 CB VAL B 22 20.209 13.276 -34.146 1.00 0.00 C ATOM 535 CG1 VAL B 22 21.607 13.812 -34.150 1.00 0.00 C ATOM 536 CG2 VAL B 22 20.233 11.907 -33.563 1.00 0.00 C ATOM 0 H VAL B 22 17.425 13.658 -34.028 1.00 0.00 H new ATOM 0 HA VAL B 22 19.670 14.335 -32.320 1.00 0.00 H new ATOM 0 HB VAL B 22 19.821 13.238 -35.164 1.00 0.00 H new ATOM 0 HG11 VAL B 22 22.248 13.153 -34.736 1.00 0.00 H new ATOM 0 HG12 VAL B 22 21.613 14.809 -34.590 1.00 0.00 H new ATOM 0 HG13 VAL B 22 21.980 13.864 -33.127 1.00 0.00 H new ATOM 0 HG21 VAL B 22 20.888 11.270 -34.157 1.00 0.00 H new ATOM 0 HG22 VAL B 22 20.604 11.954 -32.539 1.00 0.00 H new ATOM 0 HG23 VAL B 22 19.225 11.493 -33.565 1.00 0.00 H new ATOM 546 N ALA B 23 19.830 16.591 -33.518 1.00 0.00 N ATOM 547 CA ALA B 23 19.557 18.006 -33.891 1.00 0.00 C ATOM 548 C ALA B 23 20.830 18.778 -34.047 1.00 0.00 C ATOM 549 O ALA B 23 21.587 18.872 -33.074 1.00 0.00 O ATOM 550 CB ALA B 23 18.754 18.498 -32.618 1.00 0.00 C ATOM 0 H ALA B 23 20.521 16.503 -32.773 1.00 0.00 H new ATOM 0 HA ALA B 23 19.032 18.130 -34.838 1.00 0.00 H new ATOM 0 HB1 ALA B 23 18.477 19.545 -32.745 1.00 0.00 H new ATOM 0 HB2 ALA B 23 17.853 17.896 -32.501 1.00 0.00 H new ATOM 0 HB3 ALA B 23 19.379 18.393 -31.731 1.00 0.00 H new ATOM 556 N GLY B 24 20.922 19.563 -35.128 1.00 0.00 N ATOM 557 CA GLY B 24 22.029 20.513 -35.243 1.00 0.00 C ATOM 558 C GLY B 24 22.003 21.750 -34.267 1.00 0.00 C ATOM 559 O GLY B 24 20.946 22.031 -33.703 1.00 0.00 O ATOM 0 H GLY B 24 20.266 19.560 -35.909 1.00 0.00 H new ATOM 0 HA2 GLY B 24 22.961 19.971 -35.081 1.00 0.00 H new ATOM 0 HA3 GLY B 24 22.052 20.887 -36.266 1.00 0.00 H new ATOM 563 N GLN B 25 22.951 22.681 -34.483 1.00 0.00 N ATOM 564 CA GLN B 25 22.961 24.117 -34.173 1.00 0.00 C ATOM 565 C GLN B 25 22.266 24.929 -35.336 1.00 0.00 C ATOM 566 O GLN B 25 21.761 26.050 -35.023 1.00 0.00 O ATOM 567 CB GLN B 25 24.409 24.454 -33.778 1.00 0.00 C ATOM 568 CG GLN B 25 24.929 23.783 -32.471 1.00 0.00 C ATOM 569 CD GLN B 25 23.899 23.309 -31.507 1.00 0.00 C ATOM 570 OE1 GLN B 25 23.321 24.074 -30.687 1.00 0.00 O ATOM 571 NE2 GLN B 25 23.798 21.996 -31.438 1.00 0.00 N ATOM 0 H GLN B 25 23.827 22.410 -34.930 1.00 0.00 H new ATOM 0 HA GLN B 25 22.351 24.418 -33.321 1.00 0.00 H new ATOM 0 HB2 GLN B 25 25.066 24.165 -34.598 1.00 0.00 H new ATOM 0 HB3 GLN B 25 24.493 25.535 -33.667 1.00 0.00 H new ATOM 0 HG2 GLN B 25 25.551 22.932 -32.750 1.00 0.00 H new ATOM 0 HG3 GLN B 25 25.574 24.495 -31.957 1.00 0.00 H new ATOM 0 HE21 GLN B 25 24.281 21.411 -32.120 1.00 0.00 H new ATOM 0 HE22 GLN B 25 23.237 21.566 -30.703 1.00 0.00 H new ATOM 580 N ASP B 26 22.029 24.440 -36.562 1.00 0.00 N ATOM 581 CA ASP B 26 21.264 25.233 -37.527 1.00 0.00 C ATOM 582 C ASP B 26 19.712 25.187 -37.239 1.00 0.00 C ATOM 583 O ASP B 26 18.877 26.050 -37.524 1.00 0.00 O ATOM 584 CB ASP B 26 21.557 24.825 -38.959 1.00 0.00 C ATOM 585 CG ASP B 26 21.238 23.369 -39.365 1.00 0.00 C ATOM 586 OD1 ASP B 26 20.661 22.539 -38.578 1.00 0.00 O ATOM 587 OD2 ASP B 26 21.554 23.055 -40.535 1.00 0.00 O ATOM 0 H ASP B 26 22.345 23.530 -36.899 1.00 0.00 H new ATOM 0 HA ASP B 26 21.593 26.265 -37.401 1.00 0.00 H new ATOM 0 HB2 ASP B 26 20.998 25.488 -39.619 1.00 0.00 H new ATOM 0 HB3 ASP B 26 22.615 25.003 -39.150 1.00 0.00 H new ATOM 592 N GLY B 27 19.206 24.086 -36.686 1.00 0.00 N ATOM 593 CA GLY B 27 17.827 23.824 -36.304 1.00 0.00 C ATOM 594 C GLY B 27 17.222 22.675 -37.166 1.00 0.00 C ATOM 595 O GLY B 27 16.021 22.482 -37.032 1.00 0.00 O ATOM 0 H GLY B 27 19.806 23.288 -36.477 1.00 0.00 H new ATOM 0 HA2 GLY B 27 17.782 23.555 -35.249 1.00 0.00 H new ATOM 0 HA3 GLY B 27 17.232 24.729 -36.428 1.00 0.00 H new ATOM 599 N SER B 28 18.050 21.990 -37.989 1.00 0.00 N ATOM 600 CA SER B 28 17.514 20.694 -38.644 1.00 0.00 C ATOM 601 C SER B 28 17.494 19.501 -37.733 1.00 0.00 C ATOM 602 O SER B 28 18.471 19.286 -37.033 1.00 0.00 O ATOM 603 CB SER B 28 18.386 20.431 -39.817 1.00 0.00 C ATOM 604 OG SER B 28 19.739 20.207 -39.515 1.00 0.00 O ATOM 0 H SER B 28 19.008 22.249 -38.223 1.00 0.00 H new ATOM 0 HA SER B 28 16.470 20.847 -38.917 1.00 0.00 H new ATOM 0 HB2 SER B 28 18.000 19.562 -40.350 1.00 0.00 H new ATOM 0 HB3 SER B 28 18.317 21.279 -40.499 1.00 0.00 H new ATOM 0 HG SER B 28 20.149 21.043 -39.211 1.00 0.00 H new ATOM 610 N VAL B 29 16.459 18.651 -37.758 1.00 0.00 N ATOM 611 CA VAL B 29 16.334 17.494 -36.804 1.00 0.00 C ATOM 612 C VAL B 29 15.826 16.223 -37.548 1.00 0.00 C ATOM 613 O VAL B 29 14.942 16.301 -38.408 1.00 0.00 O ATOM 614 CB VAL B 29 15.404 17.939 -35.666 1.00 0.00 C ATOM 615 CG1 VAL B 29 15.214 16.861 -34.582 1.00 0.00 C ATOM 616 CG2 VAL B 29 15.902 19.162 -34.940 1.00 0.00 C ATOM 0 H VAL B 29 15.687 18.726 -38.420 1.00 0.00 H new ATOM 0 HA VAL B 29 17.300 17.218 -36.382 1.00 0.00 H new ATOM 0 HB VAL B 29 14.465 18.145 -36.179 1.00 0.00 H new ATOM 0 HG11 VAL B 29 14.547 17.238 -33.807 1.00 0.00 H new ATOM 0 HG12 VAL B 29 14.781 15.967 -35.030 1.00 0.00 H new ATOM 0 HG13 VAL B 29 16.180 16.615 -34.141 1.00 0.00 H new ATOM 0 HG21 VAL B 29 15.201 19.426 -34.148 1.00 0.00 H new ATOM 0 HG22 VAL B 29 16.880 18.954 -34.505 1.00 0.00 H new ATOM 0 HG23 VAL B 29 15.986 19.992 -35.641 1.00 0.00 H new ATOM 626 N VAL B 30 16.407 15.065 -37.256 1.00 0.00 N ATOM 627 CA VAL B 30 15.830 13.771 -37.633 1.00 0.00 C ATOM 628 C VAL B 30 15.353 12.926 -36.423 1.00 0.00 C ATOM 629 O VAL B 30 15.867 13.149 -35.282 1.00 0.00 O ATOM 630 CB VAL B 30 16.710 12.950 -38.543 1.00 0.00 C ATOM 631 CG1 VAL B 30 16.933 13.583 -39.898 1.00 0.00 C ATOM 632 CG2 VAL B 30 18.063 12.734 -37.908 1.00 0.00 C ATOM 0 H VAL B 30 17.291 14.992 -36.752 1.00 0.00 H new ATOM 0 HA VAL B 30 14.945 14.044 -38.207 1.00 0.00 H new ATOM 0 HB VAL B 30 16.181 12.008 -38.690 1.00 0.00 H new ATOM 0 HG11 VAL B 30 17.574 12.939 -40.499 1.00 0.00 H new ATOM 0 HG12 VAL B 30 15.975 13.713 -40.401 1.00 0.00 H new ATOM 0 HG13 VAL B 30 17.411 14.554 -39.772 1.00 0.00 H new ATOM 0 HG21 VAL B 30 18.688 12.140 -38.575 1.00 0.00 H new ATOM 0 HG22 VAL B 30 18.539 13.698 -37.728 1.00 0.00 H new ATOM 0 HG23 VAL B 30 17.941 12.208 -36.961 1.00 0.00 H new ATOM 642 N GLN B 31 14.723 11.851 -36.675 1.00 0.00 N ATOM 643 CA GLN B 31 14.282 10.829 -35.764 1.00 0.00 C ATOM 644 C GLN B 31 14.889 9.444 -36.140 1.00 0.00 C ATOM 645 O GLN B 31 14.953 9.111 -37.288 1.00 0.00 O ATOM 646 CB GLN B 31 12.733 10.842 -35.900 1.00 0.00 C ATOM 647 CG GLN B 31 12.066 9.705 -35.078 1.00 0.00 C ATOM 648 CD GLN B 31 10.584 9.909 -34.906 1.00 0.00 C ATOM 649 OE1 GLN B 31 10.048 10.929 -35.080 1.00 0.00 O ATOM 650 NE2 GLN B 31 9.933 8.839 -34.645 1.00 0.00 N ATOM 0 H GLN B 31 14.464 11.621 -37.634 1.00 0.00 H new ATOM 0 HA GLN B 31 14.602 11.010 -34.738 1.00 0.00 H new ATOM 0 HB2 GLN B 31 12.348 11.805 -35.565 1.00 0.00 H new ATOM 0 HB3 GLN B 31 12.461 10.738 -36.950 1.00 0.00 H new ATOM 0 HG2 GLN B 31 12.243 8.751 -35.574 1.00 0.00 H new ATOM 0 HG3 GLN B 31 12.537 9.646 -34.097 1.00 0.00 H new ATOM 0 HE21 GLN B 31 10.432 7.962 -34.498 1.00 0.00 H new ATOM 0 HE22 GLN B 31 8.915 8.863 -34.584 1.00 0.00 H new ATOM 659 N PHE B 32 15.324 8.823 -35.089 1.00 0.00 N ATOM 660 CA PHE B 32 15.978 7.506 -35.023 1.00 0.00 C ATOM 661 C PHE B 32 15.147 6.477 -34.374 1.00 0.00 C ATOM 662 O PHE B 32 14.952 6.495 -33.205 1.00 0.00 O ATOM 663 CB PHE B 32 17.313 7.638 -34.330 1.00 0.00 C ATOM 664 CG PHE B 32 18.452 8.165 -35.151 1.00 0.00 C ATOM 665 CD1 PHE B 32 18.643 9.501 -35.478 1.00 0.00 C ATOM 666 CD2 PHE B 32 19.413 7.207 -35.642 1.00 0.00 C ATOM 667 CE1 PHE B 32 19.722 9.846 -36.253 1.00 0.00 C ATOM 668 CE2 PHE B 32 20.468 7.573 -36.437 1.00 0.00 C ATOM 669 CZ PHE B 32 20.627 8.876 -36.708 1.00 0.00 C ATOM 0 H PHE B 32 15.234 9.241 -34.163 1.00 0.00 H new ATOM 0 HA PHE B 32 16.127 7.166 -36.048 1.00 0.00 H new ATOM 0 HB2 PHE B 32 17.185 8.292 -33.468 1.00 0.00 H new ATOM 0 HB3 PHE B 32 17.595 6.657 -33.947 1.00 0.00 H new ATOM 0 HD1 PHE B 32 17.954 10.256 -35.128 1.00 0.00 H new ATOM 0 HD2 PHE B 32 19.297 6.167 -35.374 1.00 0.00 H new ATOM 0 HE1 PHE B 32 19.877 10.882 -36.517 1.00 0.00 H new ATOM 0 HE2 PHE B 32 21.150 6.835 -36.833 1.00 0.00 H new ATOM 0 HZ PHE B 32 21.478 9.189 -37.295 1.00 0.00 H new ATOM 679 N LYS B 33 14.733 5.462 -35.178 1.00 0.00 N ATOM 680 CA LYS B 33 14.168 4.248 -34.592 1.00 0.00 C ATOM 681 C LYS B 33 15.265 3.215 -34.246 1.00 0.00 C ATOM 682 O LYS B 33 15.991 2.723 -35.117 1.00 0.00 O ATOM 683 CB LYS B 33 13.078 3.658 -35.609 1.00 0.00 C ATOM 684 CG LYS B 33 12.271 2.489 -35.061 1.00 0.00 C ATOM 685 CD LYS B 33 11.172 2.011 -35.981 1.00 0.00 C ATOM 686 CE LYS B 33 10.100 1.338 -35.124 1.00 0.00 C ATOM 687 NZ LYS B 33 9.027 0.739 -35.923 1.00 0.00 N ATOM 0 H LYS B 33 14.782 5.470 -36.197 1.00 0.00 H new ATOM 0 HA LYS B 33 13.683 4.488 -33.646 1.00 0.00 H new ATOM 0 HB2 LYS B 33 12.392 4.457 -35.890 1.00 0.00 H new ATOM 0 HB3 LYS B 33 13.585 3.338 -36.520 1.00 0.00 H new ATOM 0 HG2 LYS B 33 12.947 1.658 -34.858 1.00 0.00 H new ATOM 0 HG3 LYS B 33 11.830 2.781 -34.108 1.00 0.00 H new ATOM 0 HD2 LYS B 33 10.747 2.848 -36.535 1.00 0.00 H new ATOM 0 HD3 LYS B 33 11.568 1.310 -36.716 1.00 0.00 H new ATOM 0 HE2 LYS B 33 10.564 0.566 -34.510 1.00 0.00 H new ATOM 0 HE3 LYS B 33 9.672 2.073 -34.442 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 8.329 0.297 -35.291 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 8.563 1.477 -36.490 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 9.427 0.017 -36.556 1.00 0.00 H new ATOM 701 N ILE B 34 15.486 2.903 -32.971 1.00 0.00 N ATOM 702 CA ILE B 34 16.493 2.087 -32.360 1.00 0.00 C ATOM 703 C ILE B 34 15.929 1.270 -31.159 1.00 0.00 C ATOM 704 O ILE B 34 14.699 1.263 -30.893 1.00 0.00 O ATOM 705 CB ILE B 34 17.758 2.886 -32.018 1.00 0.00 C ATOM 706 CG1 ILE B 34 17.355 4.081 -31.002 1.00 0.00 C ATOM 707 CG2 ILE B 34 18.560 3.620 -33.077 1.00 0.00 C ATOM 708 CD1 ILE B 34 18.405 4.358 -29.880 1.00 0.00 C ATOM 0 H ILE B 34 14.864 3.279 -32.255 1.00 0.00 H new ATOM 0 HA ILE B 34 16.806 1.350 -33.099 1.00 0.00 H new ATOM 0 HB ILE B 34 18.393 2.069 -31.676 1.00 0.00 H new ATOM 0 HG12 ILE B 34 17.206 4.995 -31.577 1.00 0.00 H new ATOM 0 HG13 ILE B 34 16.400 3.838 -30.536 1.00 0.00 H new ATOM 0 HG21 ILE B 34 19.411 4.116 -32.610 1.00 0.00 H new ATOM 0 HG22 ILE B 34 18.918 2.908 -33.821 1.00 0.00 H new ATOM 0 HG23 ILE B 34 17.928 4.364 -33.561 1.00 0.00 H new ATOM 0 HD11 ILE B 34 18.054 5.173 -29.246 1.00 0.00 H new ATOM 0 HD12 ILE B 34 18.538 3.460 -29.276 1.00 0.00 H new ATOM 0 HD13 ILE B 34 19.357 4.635 -30.333 1.00 0.00 H new ATOM 720 N LYS B 35 16.760 0.466 -30.494 1.00 0.00 N ATOM 721 CA LYS B 35 16.346 -0.262 -29.318 1.00 0.00 C ATOM 722 C LYS B 35 17.122 0.311 -28.146 1.00 0.00 C ATOM 723 O LYS B 35 18.145 0.963 -28.307 1.00 0.00 O ATOM 724 CB LYS B 35 16.391 -1.791 -29.622 1.00 0.00 C ATOM 725 CG LYS B 35 15.403 -2.322 -30.681 1.00 0.00 C ATOM 726 CD LYS B 35 15.539 -3.876 -30.840 1.00 0.00 C ATOM 727 CE LYS B 35 14.623 -4.336 -32.055 1.00 0.00 C ATOM 728 NZ LYS B 35 14.996 -5.670 -32.657 1.00 0.00 N ATOM 0 H LYS B 35 17.731 0.309 -30.762 1.00 0.00 H new ATOM 0 HA LYS B 35 15.305 -0.138 -29.019 1.00 0.00 H new ATOM 0 HB2 LYS B 35 17.401 -2.043 -29.944 1.00 0.00 H new ATOM 0 HB3 LYS B 35 16.210 -2.327 -28.690 1.00 0.00 H new ATOM 0 HG2 LYS B 35 14.383 -2.069 -30.392 1.00 0.00 H new ATOM 0 HG3 LYS B 35 15.593 -1.836 -31.638 1.00 0.00 H new ATOM 0 HD2 LYS B 35 16.578 -4.149 -31.023 1.00 0.00 H new ATOM 0 HD3 LYS B 35 15.234 -4.380 -29.923 1.00 0.00 H new ATOM 0 HE2 LYS B 35 13.588 -4.383 -31.715 1.00 0.00 H new ATOM 0 HE3 LYS B 35 14.668 -3.576 -32.835 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 14.349 -5.891 -33.440 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 15.971 -5.629 -33.015 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 14.925 -6.411 -31.930 1.00 0.00 H new ATOM 742 N ARG B 36 16.629 0.081 -26.927 1.00 0.00 N ATOM 743 CA ARG B 36 17.256 0.562 -25.619 1.00 0.00 C ATOM 744 C ARG B 36 18.724 0.273 -25.518 1.00 0.00 C ATOM 745 O ARG B 36 19.507 1.104 -25.017 1.00 0.00 O ATOM 746 CB ARG B 36 16.420 0.166 -24.384 1.00 0.00 C ATOM 747 CG ARG B 36 16.953 0.693 -23.063 1.00 0.00 C ATOM 748 CD ARG B 36 15.979 0.434 -21.868 1.00 0.00 C ATOM 749 NE ARG B 36 16.666 0.550 -20.625 1.00 0.00 N ATOM 750 CZ ARG B 36 16.733 1.518 -19.704 1.00 0.00 C ATOM 751 NH1 ARG B 36 16.281 2.707 -19.725 1.00 0.00 N ATOM 752 NH2 ARG B 36 17.456 1.279 -18.654 1.00 0.00 N ATOM 0 H ARG B 36 15.770 -0.450 -26.781 1.00 0.00 H new ATOM 0 HA ARG B 36 17.218 1.651 -25.636 1.00 0.00 H new ATOM 0 HB2 ARG B 36 15.401 0.529 -24.520 1.00 0.00 H new ATOM 0 HB3 ARG B 36 16.367 -0.921 -24.331 1.00 0.00 H new ATOM 0 HG2 ARG B 36 17.913 0.223 -22.851 1.00 0.00 H new ATOM 0 HG3 ARG B 36 17.135 1.764 -23.152 1.00 0.00 H new ATOM 0 HD2 ARG B 36 15.156 1.147 -21.902 1.00 0.00 H new ATOM 0 HD3 ARG B 36 15.543 -0.561 -21.957 1.00 0.00 H new ATOM 0 HE ARG B 36 17.220 -0.273 -20.389 1.00 0.00 H new ATOM 0 HH11 ARG B 36 15.775 3.046 -20.543 1.00 0.00 H new ATOM 0 HH12 ARG B 36 16.424 3.321 -18.923 1.00 0.00 H new ATOM 0 HH21 ARG B 36 17.940 0.386 -18.561 1.00 0.00 H new ATOM 0 HH22 ARG B 36 17.540 1.984 -17.922 1.00 0.00 H new ATOM 766 N HIS B 37 19.211 -0.890 -26.035 1.00 0.00 N ATOM 767 CA HIS B 37 20.564 -1.328 -26.154 1.00 0.00 C ATOM 768 C HIS B 37 21.257 -1.215 -27.567 1.00 0.00 C ATOM 769 O HIS B 37 22.354 -1.772 -27.702 1.00 0.00 O ATOM 770 CB HIS B 37 20.543 -2.810 -25.660 1.00 0.00 C ATOM 771 CG HIS B 37 19.981 -3.757 -26.626 1.00 0.00 C ATOM 772 ND1 HIS B 37 18.684 -3.745 -27.147 1.00 0.00 N ATOM 773 CD2 HIS B 37 20.674 -4.855 -27.121 1.00 0.00 C ATOM 774 CE1 HIS B 37 18.657 -4.834 -27.911 1.00 0.00 C ATOM 775 NE2 HIS B 37 19.762 -5.515 -27.907 1.00 0.00 N ATOM 0 H HIS B 37 18.570 -1.591 -26.407 1.00 0.00 H new ATOM 0 HA HIS B 37 21.184 -0.652 -25.565 1.00 0.00 H new ATOM 0 HB2 HIS B 37 21.561 -3.115 -25.419 1.00 0.00 H new ATOM 0 HB3 HIS B 37 19.967 -2.865 -24.736 1.00 0.00 H new ATOM 0 HD2 HIS B 37 21.701 -5.128 -26.930 1.00 0.00 H new ATOM 0 HE1 HIS B 37 17.790 -5.126 -28.485 1.00 0.00 H new ATOM 0 HE2 HIS B 37 19.925 -6.391 -28.403 1.00 0.00 H new ATOM 783 N THR B 38 20.803 -0.409 -28.512 1.00 0.00 N ATOM 784 CA THR B 38 21.647 0.092 -29.670 1.00 0.00 C ATOM 785 C THR B 38 22.837 1.011 -29.368 1.00 0.00 C ATOM 786 O THR B 38 22.636 2.056 -28.785 1.00 0.00 O ATOM 787 CB THR B 38 20.748 0.773 -30.763 1.00 0.00 C ATOM 788 OG1 THR B 38 19.647 -0.079 -30.876 1.00 0.00 O ATOM 789 CG2 THR B 38 21.409 0.882 -32.197 1.00 0.00 C ATOM 0 H THR B 38 19.844 -0.063 -28.530 1.00 0.00 H new ATOM 0 HA THR B 38 22.110 -0.832 -30.017 1.00 0.00 H new ATOM 0 HB THR B 38 20.536 1.797 -30.457 1.00 0.00 H new ATOM 0 HG1 THR B 38 19.392 -0.160 -31.819 1.00 0.00 H new ATOM 0 HG21 THR B 38 20.713 1.365 -32.883 1.00 0.00 H new ATOM 0 HG22 THR B 38 22.323 1.472 -32.132 1.00 0.00 H new ATOM 0 HG23 THR B 38 21.646 -0.116 -32.565 1.00 0.00 H new ATOM 797 N PRO B 39 24.160 0.683 -29.626 1.00 0.00 N ATOM 798 CA PRO B 39 25.219 1.645 -29.365 1.00 0.00 C ATOM 799 C PRO B 39 25.065 2.876 -30.202 1.00 0.00 C ATOM 800 O PRO B 39 24.909 2.765 -31.423 1.00 0.00 O ATOM 801 CB PRO B 39 26.575 1.037 -29.595 1.00 0.00 C ATOM 802 CG PRO B 39 26.217 -0.135 -30.537 1.00 0.00 C ATOM 803 CD PRO B 39 24.772 -0.494 -30.184 1.00 0.00 C ATOM 0 HA PRO B 39 25.136 1.931 -28.316 1.00 0.00 H new ATOM 0 HB2 PRO B 39 27.269 1.740 -30.056 1.00 0.00 H new ATOM 0 HB3 PRO B 39 27.036 0.695 -28.668 1.00 0.00 H new ATOM 0 HG2 PRO B 39 26.308 0.157 -31.583 1.00 0.00 H new ATOM 0 HG3 PRO B 39 26.884 -0.983 -30.384 1.00 0.00 H new ATOM 0 HD2 PRO B 39 24.231 -0.824 -31.071 1.00 0.00 H new ATOM 0 HD3 PRO B 39 24.745 -1.316 -29.469 1.00 0.00 H new ATOM 811 N LEU B 40 25.308 4.069 -29.581 1.00 0.00 N ATOM 812 CA LEU B 40 25.167 5.406 -30.206 1.00 0.00 C ATOM 813 C LEU B 40 26.280 5.610 -31.311 1.00 0.00 C ATOM 814 O LEU B 40 26.136 6.439 -32.230 1.00 0.00 O ATOM 815 CB LEU B 40 25.214 6.429 -29.092 1.00 0.00 C ATOM 816 CG LEU B 40 23.899 6.461 -28.212 1.00 0.00 C ATOM 817 CD1 LEU B 40 23.961 7.551 -27.040 1.00 0.00 C ATOM 818 CD2 LEU B 40 22.794 7.054 -29.062 1.00 0.00 C ATOM 0 H LEU B 40 25.614 4.120 -28.609 1.00 0.00 H new ATOM 0 HA LEU B 40 24.218 5.517 -30.731 1.00 0.00 H new ATOM 0 HB2 LEU B 40 26.068 6.216 -28.449 1.00 0.00 H new ATOM 0 HB3 LEU B 40 25.378 7.417 -29.523 1.00 0.00 H new ATOM 0 HG LEU B 40 23.764 5.445 -27.840 1.00 0.00 H new ATOM 0 HD11 LEU B 40 23.032 7.526 -26.471 1.00 0.00 H new ATOM 0 HD12 LEU B 40 24.798 7.327 -26.379 1.00 0.00 H new ATOM 0 HD13 LEU B 40 24.096 8.543 -27.472 1.00 0.00 H new ATOM 0 HD21 LEU B 40 21.870 7.091 -28.484 1.00 0.00 H new ATOM 0 HD22 LEU B 40 23.071 8.063 -29.367 1.00 0.00 H new ATOM 0 HD23 LEU B 40 22.644 6.436 -29.947 1.00 0.00 H new ATOM 830 N SER B 41 27.333 4.845 -31.334 1.00 0.00 N ATOM 831 CA SER B 41 28.392 4.984 -32.371 1.00 0.00 C ATOM 832 C SER B 41 27.800 4.941 -33.780 1.00 0.00 C ATOM 833 O SER B 41 28.246 5.677 -34.679 1.00 0.00 O ATOM 834 CB SER B 41 29.540 3.985 -32.207 1.00 0.00 C ATOM 835 OG SER B 41 29.035 2.686 -32.293 1.00 0.00 O ATOM 0 H SER B 41 27.509 4.105 -30.655 1.00 0.00 H new ATOM 0 HA SER B 41 28.835 5.968 -32.221 1.00 0.00 H new ATOM 0 HB2 SER B 41 30.292 4.147 -32.979 1.00 0.00 H new ATOM 0 HB3 SER B 41 30.033 4.133 -31.246 1.00 0.00 H new ATOM 0 HG SER B 41 29.767 2.043 -32.190 1.00 0.00 H new ATOM 841 N LYS B 42 26.825 4.057 -33.980 1.00 0.00 N ATOM 842 CA LYS B 42 26.160 3.793 -35.245 1.00 0.00 C ATOM 843 C LYS B 42 25.271 5.052 -35.650 1.00 0.00 C ATOM 844 O LYS B 42 25.184 5.326 -36.824 1.00 0.00 O ATOM 845 CB LYS B 42 25.351 2.525 -35.092 1.00 0.00 C ATOM 846 CG LYS B 42 26.116 1.224 -34.606 1.00 0.00 C ATOM 847 CD LYS B 42 25.110 0.156 -34.351 1.00 0.00 C ATOM 848 CE LYS B 42 25.842 -1.131 -34.069 1.00 0.00 C ATOM 849 NZ LYS B 42 26.415 -1.757 -35.296 1.00 0.00 N ATOM 0 H LYS B 42 26.462 3.478 -33.223 1.00 0.00 H new ATOM 0 HA LYS B 42 26.876 3.643 -36.053 1.00 0.00 H new ATOM 0 HB2 LYS B 42 24.544 2.724 -34.387 1.00 0.00 H new ATOM 0 HB3 LYS B 42 24.887 2.303 -36.053 1.00 0.00 H new ATOM 0 HG2 LYS B 42 26.831 0.899 -35.362 1.00 0.00 H new ATOM 0 HG3 LYS B 42 26.684 1.434 -33.700 1.00 0.00 H new ATOM 0 HD2 LYS B 42 24.477 0.425 -33.505 1.00 0.00 H new ATOM 0 HD3 LYS B 42 24.455 0.038 -35.214 1.00 0.00 H new ATOM 0 HE2 LYS B 42 26.645 -0.937 -33.358 1.00 0.00 H new ATOM 0 HE3 LYS B 42 25.158 -1.835 -33.594 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 26.694 -2.737 -35.088 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 25.702 -1.753 -36.053 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 27.249 -1.218 -35.604 1.00 0.00 H new ATOM 863 N LEU B 43 24.705 5.780 -34.669 1.00 0.00 N ATOM 864 CA LEU B 43 23.952 7.014 -34.785 1.00 0.00 C ATOM 865 C LEU B 43 24.887 8.170 -35.083 1.00 0.00 C ATOM 866 O LEU B 43 24.634 9.097 -35.862 1.00 0.00 O ATOM 867 CB LEU B 43 23.005 7.294 -33.564 1.00 0.00 C ATOM 868 CG LEU B 43 21.912 6.238 -33.416 1.00 0.00 C ATOM 869 CD1 LEU B 43 22.297 4.929 -32.750 1.00 0.00 C ATOM 870 CD2 LEU B 43 20.886 6.881 -32.536 1.00 0.00 C ATOM 0 H LEU B 43 24.777 5.482 -33.696 1.00 0.00 H new ATOM 0 HA LEU B 43 23.272 6.899 -35.629 1.00 0.00 H new ATOM 0 HB2 LEU B 43 23.597 7.329 -32.650 1.00 0.00 H new ATOM 0 HB3 LEU B 43 22.544 8.275 -33.683 1.00 0.00 H new ATOM 0 HG LEU B 43 21.604 5.957 -34.423 1.00 0.00 H new ATOM 0 HD11 LEU B 43 21.428 4.272 -32.710 1.00 0.00 H new ATOM 0 HD12 LEU B 43 23.090 4.448 -33.323 1.00 0.00 H new ATOM 0 HD13 LEU B 43 22.650 5.126 -31.738 1.00 0.00 H new ATOM 0 HD21 LEU B 43 20.059 6.189 -32.376 1.00 0.00 H new ATOM 0 HD22 LEU B 43 21.337 7.136 -31.577 1.00 0.00 H new ATOM 0 HD23 LEU B 43 20.513 7.787 -33.014 1.00 0.00 H new ATOM 882 N MET B 44 25.975 8.276 -34.308 1.00 0.00 N ATOM 883 CA MET B 44 27.083 9.280 -34.584 1.00 0.00 C ATOM 884 C MET B 44 27.600 9.170 -36.013 1.00 0.00 C ATOM 885 O MET B 44 27.500 10.128 -36.807 1.00 0.00 O ATOM 886 CB MET B 44 28.225 9.040 -33.601 1.00 0.00 C ATOM 887 CG MET B 44 27.782 9.550 -32.239 1.00 0.00 C ATOM 888 SD MET B 44 29.154 9.815 -31.006 1.00 0.00 S ATOM 889 CE MET B 44 29.322 8.107 -30.359 1.00 0.00 C ATOM 0 H MET B 44 26.137 7.696 -33.485 1.00 0.00 H new ATOM 0 HA MET B 44 26.678 10.284 -34.457 1.00 0.00 H new ATOM 0 HB2 MET B 44 28.469 7.979 -33.551 1.00 0.00 H new ATOM 0 HB3 MET B 44 29.126 9.559 -33.928 1.00 0.00 H new ATOM 0 HG2 MET B 44 27.252 10.492 -32.377 1.00 0.00 H new ATOM 0 HG3 MET B 44 27.069 8.841 -31.818 1.00 0.00 H new ATOM 0 HE1 MET B 44 29.759 8.137 -29.361 1.00 0.00 H new ATOM 0 HE2 MET B 44 28.339 7.638 -30.311 1.00 0.00 H new ATOM 0 HE3 MET B 44 29.968 7.529 -31.020 1.00 0.00 H new ATOM 899 N LYS B 45 28.055 7.980 -36.400 1.00 0.00 N ATOM 900 CA LYS B 45 28.354 7.552 -37.813 1.00 0.00 C ATOM 901 C LYS B 45 27.252 8.016 -38.787 1.00 0.00 C ATOM 902 O LYS B 45 27.494 8.681 -39.815 1.00 0.00 O ATOM 903 CB LYS B 45 28.793 6.073 -37.876 1.00 0.00 C ATOM 904 CG LYS B 45 30.131 5.855 -37.145 1.00 0.00 C ATOM 905 CD LYS B 45 30.624 4.453 -36.864 1.00 0.00 C ATOM 906 CE LYS B 45 31.615 4.447 -35.743 1.00 0.00 C ATOM 907 NZ LYS B 45 32.083 3.084 -35.527 1.00 0.00 N ATOM 0 H LYS B 45 28.242 7.237 -35.726 1.00 0.00 H new ATOM 0 HA LYS B 45 29.235 8.075 -38.185 1.00 0.00 H new ATOM 0 HB2 LYS B 45 28.024 5.444 -37.427 1.00 0.00 H new ATOM 0 HB3 LYS B 45 28.890 5.764 -38.917 1.00 0.00 H new ATOM 0 HG2 LYS B 45 30.903 6.359 -37.727 1.00 0.00 H new ATOM 0 HG3 LYS B 45 30.065 6.372 -36.188 1.00 0.00 H new ATOM 0 HD2 LYS B 45 29.780 3.811 -36.611 1.00 0.00 H new ATOM 0 HD3 LYS B 45 31.083 4.038 -37.762 1.00 0.00 H new ATOM 0 HE2 LYS B 45 32.455 5.100 -35.980 1.00 0.00 H new ATOM 0 HE3 LYS B 45 31.156 4.836 -34.834 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 32.773 3.073 -34.749 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 31.276 2.474 -35.284 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 32.535 2.730 -36.395 1.00 0.00 H new ATOM 921 N ALA B 46 26.003 7.585 -38.461 1.00 0.00 N ATOM 922 CA ALA B 46 24.821 7.858 -39.342 1.00 0.00 C ATOM 923 C ALA B 46 24.508 9.359 -39.560 1.00 0.00 C ATOM 924 O ALA B 46 24.228 9.762 -40.716 1.00 0.00 O ATOM 925 CB ALA B 46 23.581 7.165 -38.916 1.00 0.00 C ATOM 0 H ALA B 46 25.785 7.058 -37.615 1.00 0.00 H new ATOM 0 HA ALA B 46 25.146 7.442 -40.296 1.00 0.00 H new ATOM 0 HB1 ALA B 46 22.772 7.413 -39.603 1.00 0.00 H new ATOM 0 HB2 ALA B 46 23.746 6.088 -38.923 1.00 0.00 H new ATOM 0 HB3 ALA B 46 23.313 7.485 -37.909 1.00 0.00 H new ATOM 931 N TYR B 47 24.436 10.192 -38.500 1.00 0.00 N ATOM 932 CA TYR B 47 24.273 11.659 -38.777 1.00 0.00 C ATOM 933 C TYR B 47 25.427 12.394 -39.342 1.00 0.00 C ATOM 934 O TYR B 47 25.281 13.250 -40.142 1.00 0.00 O ATOM 935 CB TYR B 47 23.774 12.275 -37.452 1.00 0.00 C ATOM 936 CG TYR B 47 23.234 13.715 -37.616 1.00 0.00 C ATOM 937 CD1 TYR B 47 21.921 13.947 -38.098 1.00 0.00 C ATOM 938 CD2 TYR B 47 24.050 14.878 -37.276 1.00 0.00 C ATOM 939 CE1 TYR B 47 21.436 15.259 -38.159 1.00 0.00 C ATOM 940 CE2 TYR B 47 23.463 16.157 -37.285 1.00 0.00 C ATOM 941 CZ TYR B 47 22.160 16.386 -37.734 1.00 0.00 C ATOM 942 OH TYR B 47 21.568 17.593 -37.709 1.00 0.00 O ATOM 0 H TYR B 47 24.482 9.919 -37.518 1.00 0.00 H new ATOM 0 HA TYR B 47 23.568 11.761 -39.602 1.00 0.00 H new ATOM 0 HB2 TYR B 47 22.988 11.644 -37.039 1.00 0.00 H new ATOM 0 HB3 TYR B 47 24.591 12.280 -36.731 1.00 0.00 H new ATOM 0 HD1 TYR B 47 21.302 13.121 -38.415 1.00 0.00 H new ATOM 0 HD2 TYR B 47 25.092 14.758 -37.021 1.00 0.00 H new ATOM 0 HE1 TYR B 47 20.444 15.415 -38.557 1.00 0.00 H new ATOM 0 HE2 TYR B 47 24.044 16.996 -36.930 1.00 0.00 H new ATOM 0 HH TYR B 47 22.207 18.264 -37.389 1.00 0.00 H new ATOM 952 N CYS B 48 26.635 12.031 -39.000 1.00 0.00 N ATOM 953 CA CYS B 48 27.824 12.751 -39.470 1.00 0.00 C ATOM 954 C CYS B 48 27.976 12.527 -40.955 1.00 0.00 C ATOM 955 O CYS B 48 28.529 13.386 -41.625 1.00 0.00 O ATOM 956 CB CYS B 48 29.089 12.243 -38.663 1.00 0.00 C ATOM 957 SG CYS B 48 30.593 13.156 -39.101 1.00 0.00 S ATOM 0 H CYS B 48 26.838 11.237 -38.393 1.00 0.00 H new ATOM 0 HA CYS B 48 27.725 13.823 -39.298 1.00 0.00 H new ATOM 0 HB2 CYS B 48 28.902 12.346 -37.594 1.00 0.00 H new ATOM 0 HB3 CYS B 48 29.240 11.181 -38.859 1.00 0.00 H new ATOM 0 HG CYS B 48 30.971 12.820 -40.299 1.00 0.00 H new ATOM 963 N GLU B 49 27.508 11.367 -41.506 1.00 0.00 N ATOM 964 CA GLU B 49 27.518 10.957 -42.898 1.00 0.00 C ATOM 965 C GLU B 49 26.427 11.708 -43.684 1.00 0.00 C ATOM 966 O GLU B 49 26.701 12.264 -44.733 1.00 0.00 O ATOM 967 CB GLU B 49 27.391 9.479 -43.117 1.00 0.00 C ATOM 968 CG GLU B 49 28.731 8.751 -43.098 1.00 0.00 C ATOM 969 CD GLU B 49 28.574 7.287 -43.283 1.00 0.00 C ATOM 970 OE1 GLU B 49 27.829 6.840 -44.196 1.00 0.00 O ATOM 971 OE2 GLU B 49 29.226 6.444 -42.583 1.00 0.00 O ATOM 0 H GLU B 49 27.083 10.651 -40.916 1.00 0.00 H new ATOM 0 HA GLU B 49 28.507 11.223 -43.272 1.00 0.00 H new ATOM 0 HB2 GLU B 49 26.745 9.058 -42.346 1.00 0.00 H new ATOM 0 HB3 GLU B 49 26.902 9.301 -44.075 1.00 0.00 H new ATOM 0 HG2 GLU B 49 29.370 9.149 -43.886 1.00 0.00 H new ATOM 0 HG3 GLU B 49 29.235 8.944 -42.151 1.00 0.00 H new ATOM 978 N ARG B 50 25.276 12.023 -43.066 1.00 0.00 N ATOM 979 CA ARG B 50 24.216 12.891 -43.625 1.00 0.00 C ATOM 980 C ARG B 50 24.645 14.321 -43.730 1.00 0.00 C ATOM 981 O ARG B 50 24.105 15.086 -44.518 1.00 0.00 O ATOM 982 CB ARG B 50 22.862 12.793 -42.869 1.00 0.00 C ATOM 983 CG ARG B 50 22.160 11.464 -43.209 1.00 0.00 C ATOM 984 CD ARG B 50 20.884 11.379 -42.466 1.00 0.00 C ATOM 985 NE ARG B 50 19.946 10.348 -42.982 1.00 0.00 N ATOM 986 CZ ARG B 50 18.642 10.509 -43.193 1.00 0.00 C ATOM 987 NH1 ARG B 50 17.918 11.595 -43.024 1.00 0.00 N ATOM 988 NH2 ARG B 50 18.062 9.403 -43.569 1.00 0.00 N ATOM 0 H ARG B 50 25.047 11.672 -42.136 1.00 0.00 H new ATOM 0 HA ARG B 50 24.049 12.504 -44.630 1.00 0.00 H new ATOM 0 HB2 ARG B 50 23.031 12.859 -41.794 1.00 0.00 H new ATOM 0 HB3 ARG B 50 22.222 13.632 -43.143 1.00 0.00 H new ATOM 0 HG2 ARG B 50 21.974 11.402 -44.281 1.00 0.00 H new ATOM 0 HG3 ARG B 50 22.803 10.623 -42.948 1.00 0.00 H new ATOM 0 HD2 ARG B 50 21.100 11.166 -41.419 1.00 0.00 H new ATOM 0 HD3 ARG B 50 20.392 12.351 -42.499 1.00 0.00 H new ATOM 0 HE ARG B 50 20.339 9.431 -43.194 1.00 0.00 H new ATOM 0 HH11 ARG B 50 18.357 12.454 -42.691 1.00 0.00 H new ATOM 0 HH12 ARG B 50 16.918 11.578 -43.226 1.00 0.00 H new ATOM 0 HH21 ARG B 50 18.610 8.548 -43.669 1.00 0.00 H new ATOM 0 HH22 ARG B 50 17.061 9.393 -43.763 1.00 0.00 H new ATOM 1002 N GLN B 51 25.686 14.755 -42.944 1.00 0.00 N ATOM 1003 CA GLN B 51 26.415 16.041 -43.134 1.00 0.00 C ATOM 1004 C GLN B 51 27.627 15.976 -43.996 1.00 0.00 C ATOM 1005 O GLN B 51 27.931 16.907 -44.687 1.00 0.00 O ATOM 1006 CB GLN B 51 26.902 16.542 -41.775 1.00 0.00 C ATOM 1007 CG GLN B 51 25.677 16.974 -40.887 1.00 0.00 C ATOM 1008 CD GLN B 51 25.028 18.209 -41.551 1.00 0.00 C ATOM 1009 OE1 GLN B 51 25.654 19.222 -41.870 1.00 0.00 O ATOM 1010 NE2 GLN B 51 23.725 18.235 -41.697 1.00 0.00 N ATOM 0 H GLN B 51 26.039 14.211 -42.157 1.00 0.00 H new ATOM 0 HA GLN B 51 25.692 16.691 -43.626 1.00 0.00 H new ATOM 0 HB2 GLN B 51 27.468 15.758 -41.271 1.00 0.00 H new ATOM 0 HB3 GLN B 51 27.578 17.386 -41.911 1.00 0.00 H new ATOM 0 HG2 GLN B 51 24.957 16.160 -40.807 1.00 0.00 H new ATOM 0 HG3 GLN B 51 26.003 17.211 -39.874 1.00 0.00 H new ATOM 0 HE21 GLN B 51 23.167 17.419 -41.446 1.00 0.00 H new ATOM 0 HE22 GLN B 51 23.269 19.071 -42.062 1.00 0.00 H new ATOM 1019 N GLY B 52 28.294 14.829 -44.052 1.00 0.00 N ATOM 1020 CA GLY B 52 29.424 14.514 -44.972 1.00 0.00 C ATOM 1021 C GLY B 52 30.733 15.089 -44.463 1.00 0.00 C ATOM 1022 O GLY B 52 31.558 15.718 -45.162 1.00 0.00 O ATOM 0 H GLY B 52 28.066 14.047 -43.438 1.00 0.00 H new ATOM 0 HA2 GLY B 52 29.517 13.433 -45.079 1.00 0.00 H new ATOM 0 HA3 GLY B 52 29.210 14.915 -45.963 1.00 0.00 H new ATOM 1026 N LEU B 53 30.905 14.942 -43.114 1.00 0.00 N ATOM 1027 CA LEU B 53 32.005 15.483 -42.300 1.00 0.00 C ATOM 1028 C LEU B 53 32.906 14.328 -41.768 1.00 0.00 C ATOM 1029 O LEU B 53 32.480 13.161 -41.744 1.00 0.00 O ATOM 1030 CB LEU B 53 31.421 16.353 -41.178 1.00 0.00 C ATOM 1031 CG LEU B 53 30.650 17.593 -41.677 1.00 0.00 C ATOM 1032 CD1 LEU B 53 30.110 18.288 -40.421 1.00 0.00 C ATOM 1033 CD2 LEU B 53 31.534 18.485 -42.514 1.00 0.00 C ATOM 0 H LEU B 53 30.239 14.414 -42.550 1.00 0.00 H new ATOM 0 HA LEU B 53 32.649 16.118 -42.908 1.00 0.00 H new ATOM 0 HB2 LEU B 53 30.752 15.743 -40.571 1.00 0.00 H new ATOM 0 HB3 LEU B 53 32.232 16.680 -40.528 1.00 0.00 H new ATOM 0 HG LEU B 53 29.826 17.323 -42.337 1.00 0.00 H new ATOM 0 HD11 LEU B 53 29.551 19.178 -40.710 1.00 0.00 H new ATOM 0 HD12 LEU B 53 29.452 17.606 -39.882 1.00 0.00 H new ATOM 0 HD13 LEU B 53 30.942 18.574 -39.777 1.00 0.00 H new ATOM 0 HD21 LEU B 53 30.963 19.350 -42.851 1.00 0.00 H new ATOM 0 HD22 LEU B 53 32.382 18.820 -41.917 1.00 0.00 H new ATOM 0 HD23 LEU B 53 31.896 17.930 -43.379 1.00 0.00 H new ATOM 1045 N SER B 54 34.080 14.670 -41.195 1.00 0.00 N ATOM 1046 CA SER B 54 34.874 13.757 -40.386 1.00 0.00 C ATOM 1047 C SER B 54 34.330 13.933 -38.941 1.00 0.00 C ATOM 1048 O SER B 54 33.838 14.992 -38.516 1.00 0.00 O ATOM 1049 CB SER B 54 36.362 14.162 -40.526 1.00 0.00 C ATOM 1050 OG SER B 54 37.097 13.647 -39.388 1.00 0.00 O ATOM 0 H SER B 54 34.495 15.597 -41.289 1.00 0.00 H new ATOM 0 HA SER B 54 34.806 12.710 -40.682 1.00 0.00 H new ATOM 0 HB2 SER B 54 36.775 13.765 -41.453 1.00 0.00 H new ATOM 0 HB3 SER B 54 36.455 15.247 -40.575 1.00 0.00 H new ATOM 0 HG SER B 54 38.041 13.897 -39.468 1.00 0.00 H new ATOM 1056 N MET B 55 34.314 12.878 -38.140 1.00 0.00 N ATOM 1057 CA MET B 55 33.756 12.931 -36.788 1.00 0.00 C ATOM 1058 C MET B 55 34.692 13.758 -35.886 1.00 0.00 C ATOM 1059 O MET B 55 34.268 14.250 -34.903 1.00 0.00 O ATOM 1060 CB MET B 55 33.430 11.512 -36.320 1.00 0.00 C ATOM 1061 CG MET B 55 32.396 11.421 -35.171 1.00 0.00 C ATOM 1062 SD MET B 55 32.043 9.690 -34.577 1.00 0.00 S ATOM 1063 CE MET B 55 31.898 8.816 -36.129 1.00 0.00 C ATOM 0 H MET B 55 34.684 11.964 -38.402 1.00 0.00 H new ATOM 0 HA MET B 55 32.802 13.457 -36.748 1.00 0.00 H new ATOM 0 HB2 MET B 55 33.056 10.942 -37.171 1.00 0.00 H new ATOM 0 HB3 MET B 55 34.353 11.032 -35.996 1.00 0.00 H new ATOM 0 HG2 MET B 55 32.755 12.013 -34.329 1.00 0.00 H new ATOM 0 HG3 MET B 55 31.462 11.874 -35.504 1.00 0.00 H new ATOM 0 HE1 MET B 55 31.634 7.776 -35.938 1.00 0.00 H new ATOM 0 HE2 MET B 55 31.122 9.281 -36.737 1.00 0.00 H new ATOM 0 HE3 MET B 55 32.849 8.857 -36.660 1.00 0.00 H new ATOM 1073 N ARG B 56 35.954 14.022 -36.307 1.00 0.00 N ATOM 1074 CA ARG B 56 36.873 14.881 -35.597 1.00 0.00 C ATOM 1075 C ARG B 56 36.376 16.278 -35.384 1.00 0.00 C ATOM 1076 O ARG B 56 36.633 16.882 -34.312 1.00 0.00 O ATOM 1077 CB ARG B 56 38.119 14.960 -36.329 1.00 0.00 C ATOM 1078 CG ARG B 56 39.337 15.296 -35.500 1.00 0.00 C ATOM 1079 CD ARG B 56 40.583 15.217 -36.410 1.00 0.00 C ATOM 1080 NE ARG B 56 41.788 15.243 -35.585 1.00 0.00 N ATOM 1081 CZ ARG B 56 43.032 15.343 -35.984 1.00 0.00 C ATOM 1082 NH1 ARG B 56 43.366 15.563 -37.215 1.00 0.00 N ATOM 1083 NH2 ARG B 56 43.946 15.196 -35.100 1.00 0.00 N ATOM 0 H ARG B 56 36.346 13.629 -37.163 1.00 0.00 H new ATOM 0 HA ARG B 56 36.996 14.429 -34.613 1.00 0.00 H new ATOM 0 HB2 ARG B 56 38.290 14.005 -36.825 1.00 0.00 H new ATOM 0 HB3 ARG B 56 38.014 15.712 -37.111 1.00 0.00 H new ATOM 0 HG2 ARG B 56 39.242 16.294 -35.073 1.00 0.00 H new ATOM 0 HG3 ARG B 56 39.432 14.601 -34.666 1.00 0.00 H new ATOM 0 HD2 ARG B 56 40.556 14.304 -37.005 1.00 0.00 H new ATOM 0 HD3 ARG B 56 40.590 16.053 -37.110 1.00 0.00 H new ATOM 0 HE ARG B 56 41.644 15.175 -34.578 1.00 0.00 H new ATOM 0 HH11 ARG B 56 42.644 15.667 -37.928 1.00 0.00 H new ATOM 0 HH12 ARG B 56 44.351 15.632 -37.472 1.00 0.00 H new ATOM 0 HH21 ARG B 56 43.692 15.009 -34.130 1.00 0.00 H new ATOM 0 HH22 ARG B 56 44.928 15.266 -35.366 1.00 0.00 H new ATOM 1097 N GLN B 57 35.629 16.771 -36.347 1.00 0.00 N ATOM 1098 CA GLN B 57 35.302 18.198 -36.390 1.00 0.00 C ATOM 1099 C GLN B 57 33.898 18.541 -35.856 1.00 0.00 C ATOM 1100 O GLN B 57 33.438 19.704 -35.923 1.00 0.00 O ATOM 1101 CB GLN B 57 35.416 18.620 -37.956 1.00 0.00 C ATOM 1102 CG GLN B 57 34.177 18.595 -38.772 1.00 0.00 C ATOM 1103 CD GLN B 57 34.512 18.741 -40.315 1.00 0.00 C ATOM 1104 OE1 GLN B 57 34.946 17.754 -40.897 1.00 0.00 O ATOM 1105 NE2 GLN B 57 34.277 19.821 -40.946 1.00 0.00 N ATOM 0 H GLN B 57 35.235 16.219 -37.109 1.00 0.00 H new ATOM 0 HA GLN B 57 35.986 18.743 -35.740 1.00 0.00 H new ATOM 0 HB2 GLN B 57 35.827 19.629 -38.002 1.00 0.00 H new ATOM 0 HB3 GLN B 57 36.142 17.958 -38.429 1.00 0.00 H new ATOM 0 HG2 GLN B 57 33.642 17.661 -38.599 1.00 0.00 H new ATOM 0 HG3 GLN B 57 33.516 19.404 -38.461 1.00 0.00 H new ATOM 0 HE21 GLN B 57 33.916 20.634 -40.448 1.00 0.00 H new ATOM 0 HE22 GLN B 57 34.450 19.873 -41.950 1.00 0.00 H new ATOM 1114 N ILE B 58 33.230 17.549 -35.301 1.00 0.00 N ATOM 1115 CA ILE B 58 31.909 17.718 -34.578 1.00 0.00 C ATOM 1116 C ILE B 58 31.934 16.990 -33.230 1.00 0.00 C ATOM 1117 O ILE B 58 32.957 16.377 -32.891 1.00 0.00 O ATOM 1118 CB ILE B 58 30.725 17.209 -35.420 1.00 0.00 C ATOM 1119 CG1 ILE B 58 30.974 15.635 -35.660 1.00 0.00 C ATOM 1120 CG2 ILE B 58 30.581 17.944 -36.782 1.00 0.00 C ATOM 1121 CD1 ILE B 58 29.902 14.920 -36.401 1.00 0.00 C ATOM 0 H ILE B 58 33.559 16.584 -35.319 1.00 0.00 H new ATOM 0 HA ILE B 58 31.771 18.786 -34.410 1.00 0.00 H new ATOM 0 HB ILE B 58 29.795 17.403 -34.885 1.00 0.00 H new ATOM 0 HG12 ILE B 58 31.911 15.513 -36.204 1.00 0.00 H new ATOM 0 HG13 ILE B 58 31.103 15.154 -34.690 1.00 0.00 H new ATOM 0 HG21 ILE B 58 29.728 17.538 -37.326 1.00 0.00 H new ATOM 0 HG22 ILE B 58 30.426 19.009 -36.606 1.00 0.00 H new ATOM 0 HG23 ILE B 58 31.488 17.802 -37.370 1.00 0.00 H new ATOM 0 HD11 ILE B 58 30.171 13.869 -36.506 1.00 0.00 H new ATOM 0 HD12 ILE B 58 28.964 15.001 -35.852 1.00 0.00 H new ATOM 0 HD13 ILE B 58 29.784 15.365 -37.389 1.00 0.00 H new ATOM 1133 N ARG B 59 30.846 17.248 -32.422 1.00 0.00 N ATOM 1134 CA ARG B 59 30.461 16.500 -31.150 1.00 0.00 C ATOM 1135 C ARG B 59 28.965 16.296 -31.023 1.00 0.00 C ATOM 1136 O ARG B 59 28.191 17.165 -31.382 1.00 0.00 O ATOM 1137 CB ARG B 59 30.917 17.184 -29.853 1.00 0.00 C ATOM 1138 CG ARG B 59 32.461 17.163 -29.664 1.00 0.00 C ATOM 1139 CD ARG B 59 33.214 15.850 -29.302 1.00 0.00 C ATOM 1140 NE ARG B 59 34.687 16.140 -29.163 1.00 0.00 N ATOM 1141 CZ ARG B 59 35.586 16.096 -30.102 1.00 0.00 C ATOM 1142 NH1 ARG B 59 35.272 16.058 -31.343 1.00 0.00 N ATOM 1143 NH2 ARG B 59 36.770 16.197 -29.682 1.00 0.00 N ATOM 0 H ARG B 59 30.191 18.000 -32.637 1.00 0.00 H new ATOM 0 HA ARG B 59 30.981 15.549 -31.262 1.00 0.00 H new ATOM 0 HB2 ARG B 59 30.571 18.218 -29.853 1.00 0.00 H new ATOM 0 HB3 ARG B 59 30.446 16.690 -29.003 1.00 0.00 H new ATOM 0 HG2 ARG B 59 32.899 17.536 -30.590 1.00 0.00 H new ATOM 0 HG3 ARG B 59 32.696 17.889 -28.885 1.00 0.00 H new ATOM 0 HD2 ARG B 59 32.824 15.439 -28.371 1.00 0.00 H new ATOM 0 HD3 ARG B 59 33.051 15.099 -30.075 1.00 0.00 H new ATOM 0 HE ARG B 59 35.014 16.399 -28.232 1.00 0.00 H new ATOM 0 HH11 ARG B 59 34.291 16.062 -31.621 1.00 0.00 H new ATOM 0 HH12 ARG B 59 36.003 16.024 -32.053 1.00 0.00 H new ATOM 0 HH21 ARG B 59 36.950 16.302 -28.683 1.00 0.00 H new ATOM 0 HH22 ARG B 59 37.548 16.174 -30.341 1.00 0.00 H new ATOM 1157 N PHE B 60 28.630 15.166 -30.413 1.00 0.00 N ATOM 1158 CA PHE B 60 27.295 14.837 -29.963 1.00 0.00 C ATOM 1159 C PHE B 60 27.166 14.953 -28.489 1.00 0.00 C ATOM 1160 O PHE B 60 27.967 14.278 -27.852 1.00 0.00 O ATOM 1161 CB PHE B 60 27.019 13.411 -30.524 1.00 0.00 C ATOM 1162 CG PHE B 60 27.021 13.235 -32.055 1.00 0.00 C ATOM 1163 CD1 PHE B 60 28.212 13.125 -32.734 1.00 0.00 C ATOM 1164 CD2 PHE B 60 25.813 13.164 -32.693 1.00 0.00 C ATOM 1165 CE1 PHE B 60 28.206 12.905 -34.136 1.00 0.00 C ATOM 1166 CE2 PHE B 60 25.828 12.869 -34.073 1.00 0.00 C ATOM 1167 CZ PHE B 60 27.023 12.817 -34.806 1.00 0.00 C ATOM 0 H PHE B 60 29.309 14.431 -30.214 1.00 0.00 H new ATOM 0 HA PHE B 60 26.542 15.534 -30.331 1.00 0.00 H new ATOM 0 HB2 PHE B 60 27.766 12.735 -30.107 1.00 0.00 H new ATOM 0 HB3 PHE B 60 26.049 13.084 -30.149 1.00 0.00 H new ATOM 0 HD1 PHE B 60 29.148 13.206 -32.202 1.00 0.00 H new ATOM 0 HD2 PHE B 60 24.886 13.327 -32.163 1.00 0.00 H new ATOM 0 HE1 PHE B 60 29.139 12.807 -34.672 1.00 0.00 H new ATOM 0 HE2 PHE B 60 24.893 12.678 -34.579 1.00 0.00 H new ATOM 0 HZ PHE B 60 27.006 12.709 -35.880 1.00 0.00 H new ATOM 1177 N ARG B 61 26.143 15.640 -27.956 1.00 0.00 N ATOM 1178 CA ARG B 61 25.972 16.053 -26.512 1.00 0.00 C ATOM 1179 C ARG B 61 24.597 15.704 -26.081 1.00 0.00 C ATOM 1180 O ARG B 61 23.636 15.728 -26.868 1.00 0.00 O ATOM 1181 CB ARG B 61 26.205 17.612 -26.328 1.00 0.00 C ATOM 1182 CG ARG B 61 27.650 18.070 -26.677 1.00 0.00 C ATOM 1183 CD ARG B 61 27.781 19.547 -26.349 1.00 0.00 C ATOM 1184 NE ARG B 61 29.212 19.889 -26.513 1.00 0.00 N ATOM 1185 CZ ARG B 61 29.692 21.095 -26.837 1.00 0.00 C ATOM 1186 NH1 ARG B 61 28.888 22.059 -27.050 1.00 0.00 N ATOM 1187 NH2 ARG B 61 30.937 21.275 -26.974 1.00 0.00 N ATOM 0 H ARG B 61 25.360 15.949 -28.532 1.00 0.00 H new ATOM 0 HA ARG B 61 26.710 15.529 -25.905 1.00 0.00 H new ATOM 0 HB2 ARG B 61 25.499 18.153 -26.958 1.00 0.00 H new ATOM 0 HB3 ARG B 61 25.986 17.885 -25.296 1.00 0.00 H new ATOM 0 HG2 ARG B 61 28.378 17.490 -26.110 1.00 0.00 H new ATOM 0 HG3 ARG B 61 27.857 17.897 -27.733 1.00 0.00 H new ATOM 0 HD2 ARG B 61 27.160 20.148 -27.013 1.00 0.00 H new ATOM 0 HD3 ARG B 61 27.448 19.749 -25.331 1.00 0.00 H new ATOM 0 HE ARG B 61 29.890 19.141 -26.366 1.00 0.00 H new ATOM 0 HH11 ARG B 61 27.882 21.910 -26.973 1.00 0.00 H new ATOM 0 HH12 ARG B 61 29.250 22.980 -27.297 1.00 0.00 H new ATOM 0 HH21 ARG B 61 31.583 20.497 -26.837 1.00 0.00 H new ATOM 0 HH22 ARG B 61 31.295 22.198 -27.221 1.00 0.00 H new ATOM 1201 N PHE B 62 24.480 15.448 -24.773 1.00 0.00 N ATOM 1202 CA PHE B 62 23.153 15.381 -24.144 1.00 0.00 C ATOM 1203 C PHE B 62 23.352 15.732 -22.685 1.00 0.00 C ATOM 1204 O PHE B 62 23.973 14.980 -21.953 1.00 0.00 O ATOM 1205 CB PHE B 62 22.470 14.009 -24.340 1.00 0.00 C ATOM 1206 CG PHE B 62 21.062 13.843 -23.797 1.00 0.00 C ATOM 1207 CD1 PHE B 62 20.002 14.681 -24.319 1.00 0.00 C ATOM 1208 CD2 PHE B 62 20.783 12.863 -22.783 1.00 0.00 C ATOM 1209 CE1 PHE B 62 18.715 14.403 -23.793 1.00 0.00 C ATOM 1210 CE2 PHE B 62 19.506 12.697 -22.267 1.00 0.00 C ATOM 1211 CZ PHE B 62 18.494 13.462 -22.795 1.00 0.00 C ATOM 0 H PHE B 62 25.265 15.287 -24.142 1.00 0.00 H new ATOM 0 HA PHE B 62 22.469 16.086 -24.616 1.00 0.00 H new ATOM 0 HB2 PHE B 62 22.446 13.795 -25.408 1.00 0.00 H new ATOM 0 HB3 PHE B 62 23.101 13.250 -23.877 1.00 0.00 H new ATOM 0 HD1 PHE B 62 20.178 15.456 -25.051 1.00 0.00 H new ATOM 0 HD2 PHE B 62 21.586 12.242 -22.414 1.00 0.00 H new ATOM 0 HE1 PHE B 62 17.869 14.947 -24.186 1.00 0.00 H new ATOM 0 HE2 PHE B 62 19.313 11.989 -21.475 1.00 0.00 H new ATOM 0 HZ PHE B 62 17.490 13.327 -22.421 1.00 0.00 H new ATOM 1221 N ASP B 63 22.542 16.684 -22.113 1.00 0.00 N ATOM 1222 CA ASP B 63 22.595 17.155 -20.701 1.00 0.00 C ATOM 1223 C ASP B 63 23.916 17.935 -20.405 1.00 0.00 C ATOM 1224 O ASP B 63 24.557 17.819 -19.396 1.00 0.00 O ATOM 1225 CB ASP B 63 22.203 16.123 -19.670 1.00 0.00 C ATOM 1226 CG ASP B 63 21.752 16.730 -18.389 1.00 0.00 C ATOM 1227 OD1 ASP B 63 21.025 17.737 -18.349 1.00 0.00 O ATOM 1228 OD2 ASP B 63 22.063 16.131 -17.326 1.00 0.00 O ATOM 0 H ASP B 63 21.813 17.155 -22.648 1.00 0.00 H new ATOM 0 HA ASP B 63 21.793 17.884 -20.590 1.00 0.00 H new ATOM 0 HB2 ASP B 63 21.405 15.499 -20.072 1.00 0.00 H new ATOM 0 HB3 ASP B 63 23.053 15.468 -19.477 1.00 0.00 H new ATOM 1233 N GLY B 64 24.393 18.570 -21.478 1.00 0.00 N ATOM 1234 CA GLY B 64 25.736 19.101 -21.576 1.00 0.00 C ATOM 1235 C GLY B 64 26.831 18.061 -21.509 1.00 0.00 C ATOM 1236 O GLY B 64 27.927 18.418 -21.786 1.00 0.00 O ATOM 0 H GLY B 64 23.836 18.728 -22.317 1.00 0.00 H new ATOM 0 HA2 GLY B 64 25.829 19.647 -22.515 1.00 0.00 H new ATOM 0 HA3 GLY B 64 25.887 19.821 -20.772 1.00 0.00 H new ATOM 1240 N GLN B 65 26.597 16.794 -21.159 1.00 0.00 N ATOM 1241 CA GLN B 65 27.591 15.681 -21.143 1.00 0.00 C ATOM 1242 C GLN B 65 27.860 15.223 -22.525 1.00 0.00 C ATOM 1243 O GLN B 65 26.897 14.802 -23.174 1.00 0.00 O ATOM 1244 CB GLN B 65 27.007 14.491 -20.389 1.00 0.00 C ATOM 1245 CG GLN B 65 26.373 14.714 -19.038 1.00 0.00 C ATOM 1246 CD GLN B 65 27.307 15.579 -18.133 1.00 0.00 C ATOM 1247 OE1 GLN B 65 28.362 15.225 -17.632 1.00 0.00 O ATOM 1248 NE2 GLN B 65 26.983 16.855 -18.027 1.00 0.00 N ATOM 0 H GLN B 65 25.671 16.486 -20.863 1.00 0.00 H new ATOM 0 HA GLN B 65 28.504 16.043 -20.670 1.00 0.00 H new ATOM 0 HB2 GLN B 65 26.256 14.032 -21.032 1.00 0.00 H new ATOM 0 HB3 GLN B 65 27.806 13.761 -20.260 1.00 0.00 H new ATOM 0 HG2 GLN B 65 25.411 15.212 -19.159 1.00 0.00 H new ATOM 0 HG3 GLN B 65 26.178 13.755 -18.558 1.00 0.00 H new ATOM 0 HE21 GLN B 65 26.110 17.195 -18.431 1.00 0.00 H new ATOM 0 HE22 GLN B 65 27.606 17.501 -17.541 1.00 0.00 H new ATOM 1257 N PRO B 66 29.053 15.293 -23.113 1.00 0.00 N ATOM 1258 CA PRO B 66 29.304 14.742 -24.431 1.00 0.00 C ATOM 1259 C PRO B 66 29.126 13.205 -24.436 1.00 0.00 C ATOM 1260 O PRO B 66 29.276 12.509 -23.430 1.00 0.00 O ATOM 1261 CB PRO B 66 30.707 15.056 -24.824 1.00 0.00 C ATOM 1262 CG PRO B 66 30.804 16.331 -24.012 1.00 0.00 C ATOM 1263 CD PRO B 66 30.149 16.148 -22.720 1.00 0.00 C ATOM 0 HA PRO B 66 28.592 15.181 -25.130 1.00 0.00 H new ATOM 0 HB2 PRO B 66 31.425 14.293 -24.524 1.00 0.00 H new ATOM 0 HB3 PRO B 66 30.835 15.211 -25.895 1.00 0.00 H new ATOM 0 HG2 PRO B 66 31.850 16.600 -23.864 1.00 0.00 H new ATOM 0 HG3 PRO B 66 30.337 17.154 -24.553 1.00 0.00 H new ATOM 0 HD2 PRO B 66 30.802 15.677 -21.985 1.00 0.00 H new ATOM 0 HD3 PRO B 66 29.809 17.089 -22.288 1.00 0.00 H new ATOM 1271 N ILE B 67 28.821 12.671 -25.628 1.00 0.00 N ATOM 1272 CA ILE B 67 28.482 11.248 -25.808 1.00 0.00 C ATOM 1273 C ILE B 67 29.784 10.466 -26.159 1.00 0.00 C ATOM 1274 O ILE B 67 30.402 10.808 -27.180 1.00 0.00 O ATOM 1275 CB ILE B 67 27.264 11.074 -26.796 1.00 0.00 C ATOM 1276 CG1 ILE B 67 26.103 11.795 -26.119 1.00 0.00 C ATOM 1277 CG2 ILE B 67 27.017 9.654 -27.220 1.00 0.00 C ATOM 1278 CD1 ILE B 67 24.675 11.608 -26.768 1.00 0.00 C ATOM 0 H ILE B 67 28.802 13.210 -26.494 1.00 0.00 H new ATOM 0 HA ILE B 67 28.111 10.801 -24.886 1.00 0.00 H new ATOM 0 HB ILE B 67 27.454 11.522 -27.771 1.00 0.00 H new ATOM 0 HG12 ILE B 67 26.052 11.460 -25.083 1.00 0.00 H new ATOM 0 HG13 ILE B 67 26.330 12.861 -26.098 1.00 0.00 H new ATOM 0 HG21 ILE B 67 26.164 9.620 -27.898 1.00 0.00 H new ATOM 0 HG22 ILE B 67 27.900 9.267 -27.728 1.00 0.00 H new ATOM 0 HG23 ILE B 67 26.807 9.043 -26.342 1.00 0.00 H new ATOM 0 HD11 ILE B 67 23.938 12.170 -26.194 1.00 0.00 H new ATOM 0 HD12 ILE B 67 24.691 11.974 -27.795 1.00 0.00 H new ATOM 0 HD13 ILE B 67 24.409 10.551 -26.764 1.00 0.00 H new ATOM 1290 N ASN B 68 30.016 9.309 -25.534 1.00 0.00 N ATOM 1291 CA ASN B 68 31.059 8.333 -25.895 1.00 0.00 C ATOM 1292 C ASN B 68 30.584 7.206 -26.818 1.00 0.00 C ATOM 1293 O ASN B 68 29.418 6.916 -26.936 1.00 0.00 O ATOM 1294 CB ASN B 68 31.515 7.737 -24.515 1.00 0.00 C ATOM 1295 CG ASN B 68 31.911 8.791 -23.450 1.00 0.00 C ATOM 1296 OD1 ASN B 68 32.953 9.494 -23.543 1.00 0.00 O ATOM 1297 ND2 ASN B 68 31.176 8.878 -22.360 1.00 0.00 N ATOM 0 H ASN B 68 29.463 9.010 -24.730 1.00 0.00 H new ATOM 0 HA ASN B 68 31.850 8.825 -26.461 1.00 0.00 H new ATOM 0 HB2 ASN B 68 30.707 7.123 -24.116 1.00 0.00 H new ATOM 0 HB3 ASN B 68 32.364 7.075 -24.684 1.00 0.00 H new ATOM 0 HD21 ASN B 68 31.453 9.508 -21.607 1.00 0.00 H new ATOM 0 HD22 ASN B 68 30.330 8.316 -22.269 1.00 0.00 H new ATOM 1304 N GLU B 69 31.482 6.586 -27.543 1.00 0.00 N ATOM 1305 CA GLU B 69 31.000 5.598 -28.540 1.00 0.00 C ATOM 1306 C GLU B 69 30.315 4.402 -27.746 1.00 0.00 C ATOM 1307 O GLU B 69 29.308 3.866 -28.201 1.00 0.00 O ATOM 1308 CB GLU B 69 32.135 5.043 -29.381 1.00 0.00 C ATOM 1309 CG GLU B 69 32.805 6.197 -30.197 1.00 0.00 C ATOM 1310 CD GLU B 69 33.611 5.566 -31.355 1.00 0.00 C ATOM 1311 OE1 GLU B 69 34.576 4.822 -31.081 1.00 0.00 O ATOM 1312 OE2 GLU B 69 33.373 6.045 -32.482 1.00 0.00 O ATOM 0 H GLU B 69 32.492 6.718 -27.488 1.00 0.00 H new ATOM 0 HA GLU B 69 30.299 6.091 -29.213 1.00 0.00 H new ATOM 0 HB2 GLU B 69 32.874 4.563 -28.739 1.00 0.00 H new ATOM 0 HB3 GLU B 69 31.757 4.278 -30.059 1.00 0.00 H new ATOM 0 HG2 GLU B 69 32.047 6.876 -30.587 1.00 0.00 H new ATOM 0 HG3 GLU B 69 33.460 6.786 -29.555 1.00 0.00 H new ATOM 1319 N THR B 70 30.935 4.015 -26.592 1.00 0.00 N ATOM 1320 CA THR B 70 30.407 3.048 -25.550 1.00 0.00 C ATOM 1321 C THR B 70 29.102 3.495 -24.972 1.00 0.00 C ATOM 1322 O THR B 70 28.515 2.668 -24.269 1.00 0.00 O ATOM 1323 CB THR B 70 31.493 2.819 -24.409 1.00 0.00 C ATOM 1324 OG1 THR B 70 31.783 4.145 -24.036 1.00 0.00 O ATOM 1325 CG2 THR B 70 32.849 2.187 -24.871 1.00 0.00 C ATOM 0 H THR B 70 31.855 4.377 -26.341 1.00 0.00 H new ATOM 0 HA THR B 70 30.218 2.098 -26.049 1.00 0.00 H new ATOM 0 HB THR B 70 31.101 2.133 -23.658 1.00 0.00 H new ATOM 0 HG1 THR B 70 32.454 4.145 -23.322 1.00 0.00 H new ATOM 0 HG21 THR B 70 33.511 2.078 -24.012 1.00 0.00 H new ATOM 0 HG22 THR B 70 32.662 1.208 -25.312 1.00 0.00 H new ATOM 0 HG23 THR B 70 33.319 2.835 -25.611 1.00 0.00 H new ATOM 1333 N ASP B 71 28.533 4.700 -25.139 1.00 0.00 N ATOM 1334 CA ASP B 71 27.187 4.931 -24.530 1.00 0.00 C ATOM 1335 C ASP B 71 25.986 4.305 -25.405 1.00 0.00 C ATOM 1336 O ASP B 71 26.080 4.201 -26.620 1.00 0.00 O ATOM 1337 CB ASP B 71 27.090 6.464 -24.451 1.00 0.00 C ATOM 1338 CG ASP B 71 28.021 7.179 -23.385 1.00 0.00 C ATOM 1339 OD1 ASP B 71 28.570 6.507 -22.467 1.00 0.00 O ATOM 1340 OD2 ASP B 71 28.346 8.406 -23.535 1.00 0.00 O ATOM 0 H ASP B 71 28.937 5.486 -25.649 1.00 0.00 H new ATOM 0 HA ASP B 71 27.088 4.442 -23.561 1.00 0.00 H new ATOM 0 HB2 ASP B 71 27.323 6.871 -25.435 1.00 0.00 H new ATOM 0 HB3 ASP B 71 26.056 6.729 -24.233 1.00 0.00 H new ATOM 1345 N THR B 72 24.904 3.990 -24.684 1.00 0.00 N ATOM 1346 CA THR B 72 23.590 3.526 -25.278 1.00 0.00 C ATOM 1347 C THR B 72 22.446 4.363 -24.645 1.00 0.00 C ATOM 1348 O THR B 72 22.662 5.062 -23.636 1.00 0.00 O ATOM 1349 CB THR B 72 23.277 1.989 -25.045 1.00 0.00 C ATOM 1350 OG1 THR B 72 23.298 1.931 -23.603 1.00 0.00 O ATOM 1351 CG2 THR B 72 24.323 1.093 -25.641 1.00 0.00 C ATOM 0 H THR B 72 24.888 4.041 -23.665 1.00 0.00 H new ATOM 0 HA THR B 72 23.666 3.667 -26.356 1.00 0.00 H new ATOM 0 HB THR B 72 22.350 1.651 -25.509 1.00 0.00 H new ATOM 0 HG1 THR B 72 23.590 1.041 -23.316 1.00 0.00 H new ATOM 0 HG21 THR B 72 24.060 0.052 -25.453 1.00 0.00 H new ATOM 0 HG22 THR B 72 24.379 1.265 -26.716 1.00 0.00 H new ATOM 0 HG23 THR B 72 25.290 1.311 -25.188 1.00 0.00 H new ATOM 1359 N PRO B 73 21.219 4.277 -25.101 1.00 0.00 N ATOM 1360 CA PRO B 73 20.035 4.763 -24.456 1.00 0.00 C ATOM 1361 C PRO B 73 19.860 4.199 -23.019 1.00 0.00 C ATOM 1362 O PRO B 73 19.502 4.903 -22.091 1.00 0.00 O ATOM 1363 CB PRO B 73 18.920 4.438 -25.381 1.00 0.00 C ATOM 1364 CG PRO B 73 19.470 4.049 -26.744 1.00 0.00 C ATOM 1365 CD PRO B 73 20.867 3.651 -26.398 1.00 0.00 C ATOM 0 HA PRO B 73 20.079 5.838 -24.283 1.00 0.00 H new ATOM 0 HB2 PRO B 73 18.325 3.621 -24.973 1.00 0.00 H new ATOM 0 HB3 PRO B 73 18.256 5.297 -25.479 1.00 0.00 H new ATOM 0 HG2 PRO B 73 18.909 3.230 -27.194 1.00 0.00 H new ATOM 0 HG3 PRO B 73 19.443 4.879 -27.450 1.00 0.00 H new ATOM 0 HD2 PRO B 73 20.948 2.566 -26.331 1.00 0.00 H new ATOM 0 HD3 PRO B 73 21.558 3.974 -27.176 1.00 0.00 H new ATOM 1373 N ALA B 74 20.323 2.898 -22.815 1.00 0.00 N ATOM 1374 CA ALA B 74 20.318 2.297 -21.511 1.00 0.00 C ATOM 1375 C ALA B 74 21.280 3.064 -20.506 1.00 0.00 C ATOM 1376 O ALA B 74 20.873 3.459 -19.398 1.00 0.00 O ATOM 1377 CB ALA B 74 20.784 0.851 -21.707 1.00 0.00 C ATOM 0 H ALA B 74 20.687 2.299 -23.556 1.00 0.00 H new ATOM 0 HA ALA B 74 19.322 2.343 -21.071 1.00 0.00 H new ATOM 0 HB1 ALA B 74 20.801 0.340 -20.744 1.00 0.00 H new ATOM 0 HB2 ALA B 74 20.098 0.336 -22.379 1.00 0.00 H new ATOM 0 HB3 ALA B 74 21.785 0.847 -22.137 1.00 0.00 H new ATOM 1383 N GLN B 75 22.529 3.322 -20.888 1.00 0.00 N ATOM 1384 CA GLN B 75 23.508 4.048 -20.080 1.00 0.00 C ATOM 1385 C GLN B 75 23.085 5.469 -19.786 1.00 0.00 C ATOM 1386 O GLN B 75 23.515 5.970 -18.751 1.00 0.00 O ATOM 1387 CB GLN B 75 24.807 4.017 -20.816 1.00 0.00 C ATOM 1388 CG GLN B 75 25.991 4.891 -20.242 1.00 0.00 C ATOM 1389 CD GLN B 75 26.670 4.274 -18.979 1.00 0.00 C ATOM 1390 OE1 GLN B 75 26.104 3.444 -18.303 1.00 0.00 O ATOM 1391 NE2 GLN B 75 27.893 4.560 -18.586 1.00 0.00 N ATOM 0 H GLN B 75 22.898 3.025 -21.791 1.00 0.00 H new ATOM 0 HA GLN B 75 23.599 3.565 -19.107 1.00 0.00 H new ATOM 0 HB2 GLN B 75 25.144 2.981 -20.860 1.00 0.00 H new ATOM 0 HB3 GLN B 75 24.620 4.335 -21.842 1.00 0.00 H new ATOM 0 HG2 GLN B 75 26.743 5.024 -21.020 1.00 0.00 H new ATOM 0 HG3 GLN B 75 25.612 5.882 -19.992 1.00 0.00 H new ATOM 0 HE21 GLN B 75 28.445 5.249 -19.097 1.00 0.00 H new ATOM 0 HE22 GLN B 75 28.289 4.093 -17.770 1.00 0.00 H new ATOM 1400 N LEU B 76 22.452 6.174 -20.694 1.00 0.00 N ATOM 1401 CA LEU B 76 22.082 7.587 -20.514 1.00 0.00 C ATOM 1402 C LEU B 76 20.707 7.735 -19.776 1.00 0.00 C ATOM 1403 O LEU B 76 20.494 8.926 -19.347 1.00 0.00 O ATOM 1404 CB LEU B 76 22.091 8.310 -21.838 1.00 0.00 C ATOM 1405 CG LEU B 76 23.531 8.473 -22.428 1.00 0.00 C ATOM 1406 CD1 LEU B 76 23.495 9.238 -23.753 1.00 0.00 C ATOM 1407 CD2 LEU B 76 24.736 8.983 -21.579 1.00 0.00 C ATOM 0 H LEU B 76 22.169 5.791 -21.596 1.00 0.00 H new ATOM 0 HA LEU B 76 22.831 8.054 -19.875 1.00 0.00 H new ATOM 0 HB2 LEU B 76 21.471 7.764 -22.549 1.00 0.00 H new ATOM 0 HB3 LEU B 76 21.641 9.295 -21.713 1.00 0.00 H new ATOM 0 HG LEU B 76 23.782 7.415 -22.509 1.00 0.00 H new ATOM 0 HD11 LEU B 76 24.508 9.338 -24.143 1.00 0.00 H new ATOM 0 HD12 LEU B 76 22.882 8.693 -24.471 1.00 0.00 H new ATOM 0 HD13 LEU B 76 23.069 10.228 -23.590 1.00 0.00 H new ATOM 0 HD21 LEU B 76 25.631 9.014 -22.200 1.00 0.00 H new ATOM 0 HD22 LEU B 76 24.520 9.984 -21.204 1.00 0.00 H new ATOM 0 HD23 LEU B 76 24.900 8.309 -20.739 1.00 0.00 H new ATOM 1419 N GLU B 77 19.903 6.693 -19.655 1.00 0.00 N ATOM 1420 CA GLU B 77 18.517 6.735 -19.213 1.00 0.00 C ATOM 1421 C GLU B 77 17.668 7.788 -20.050 1.00 0.00 C ATOM 1422 O GLU B 77 16.994 8.632 -19.511 1.00 0.00 O ATOM 1423 CB GLU B 77 18.369 6.880 -17.672 1.00 0.00 C ATOM 1424 CG GLU B 77 18.828 5.673 -16.826 1.00 0.00 C ATOM 1425 CD GLU B 77 18.046 4.379 -16.999 1.00 0.00 C ATOM 1426 OE1 GLU B 77 16.873 4.459 -17.494 1.00 0.00 O ATOM 1427 OE2 GLU B 77 18.516 3.272 -16.584 1.00 0.00 O ATOM 0 H GLU B 77 20.214 5.746 -19.873 1.00 0.00 H new ATOM 0 HA GLU B 77 18.083 5.759 -19.430 1.00 0.00 H new ATOM 0 HB2 GLU B 77 18.935 7.756 -17.355 1.00 0.00 H new ATOM 0 HB3 GLU B 77 17.321 7.078 -17.446 1.00 0.00 H new ATOM 0 HG2 GLU B 77 19.874 5.472 -17.059 1.00 0.00 H new ATOM 0 HG3 GLU B 77 18.785 5.958 -15.775 1.00 0.00 H new ATOM 1434 N MET B 78 17.796 7.605 -21.400 1.00 0.00 N ATOM 1435 CA MET B 78 16.992 8.368 -22.447 1.00 0.00 C ATOM 1436 C MET B 78 15.644 7.677 -22.682 1.00 0.00 C ATOM 1437 O MET B 78 15.510 6.514 -22.368 1.00 0.00 O ATOM 1438 CB MET B 78 17.735 8.360 -23.804 1.00 0.00 C ATOM 1439 CG MET B 78 18.916 9.323 -23.738 1.00 0.00 C ATOM 1440 SD MET B 78 19.977 9.677 -25.155 1.00 0.00 S ATOM 1441 CE MET B 78 19.112 11.147 -25.772 1.00 0.00 C ATOM 0 H MET B 78 18.449 6.934 -21.805 1.00 0.00 H new ATOM 0 HA MET B 78 16.856 9.386 -22.081 1.00 0.00 H new ATOM 0 HB2 MET B 78 18.084 7.353 -24.034 1.00 0.00 H new ATOM 0 HB3 MET B 78 17.056 8.653 -24.605 1.00 0.00 H new ATOM 0 HG2 MET B 78 18.516 10.280 -23.404 1.00 0.00 H new ATOM 0 HG3 MET B 78 19.570 8.957 -22.946 1.00 0.00 H new ATOM 0 HE1 MET B 78 19.833 11.835 -26.214 1.00 0.00 H new ATOM 0 HE2 MET B 78 18.384 10.851 -26.527 1.00 0.00 H new ATOM 0 HE3 MET B 78 18.599 11.640 -24.947 1.00 0.00 H new ATOM 1451 N GLU B 79 14.579 8.388 -23.186 1.00 0.00 N ATOM 1452 CA GLU B 79 13.291 7.760 -23.490 1.00 0.00 C ATOM 1453 C GLU B 79 12.818 8.309 -24.842 1.00 0.00 C ATOM 1454 O GLU B 79 13.506 9.122 -25.457 1.00 0.00 O ATOM 1455 CB GLU B 79 12.333 8.121 -22.332 1.00 0.00 C ATOM 1456 CG GLU B 79 12.444 7.367 -21.037 1.00 0.00 C ATOM 1457 CD GLU B 79 12.116 5.904 -21.176 1.00 0.00 C ATOM 1458 OE1 GLU B 79 11.209 5.476 -21.932 1.00 0.00 O ATOM 1459 OE2 GLU B 79 12.745 5.059 -20.427 1.00 0.00 O ATOM 0 H GLU B 79 14.610 9.389 -23.381 1.00 0.00 H new ATOM 0 HA GLU B 79 13.343 6.674 -23.570 1.00 0.00 H new ATOM 0 HB2 GLU B 79 12.468 9.180 -22.110 1.00 0.00 H new ATOM 0 HB3 GLU B 79 11.313 8.000 -22.698 1.00 0.00 H new ATOM 0 HG2 GLU B 79 13.457 7.471 -20.649 1.00 0.00 H new ATOM 0 HG3 GLU B 79 11.774 7.816 -20.304 1.00 0.00 H new ATOM 1466 N ASP B 80 11.651 7.815 -25.405 1.00 0.00 N ATOM 1467 CA ASP B 80 11.104 8.331 -26.672 1.00 0.00 C ATOM 1468 C ASP B 80 10.898 9.924 -26.611 1.00 0.00 C ATOM 1469 O ASP B 80 10.446 10.467 -25.616 1.00 0.00 O ATOM 1470 CB ASP B 80 9.707 7.724 -26.966 1.00 0.00 C ATOM 1471 CG ASP B 80 9.580 6.274 -27.352 1.00 0.00 C ATOM 1472 OD1 ASP B 80 10.365 5.772 -28.164 1.00 0.00 O ATOM 1473 OD2 ASP B 80 8.628 5.642 -26.895 1.00 0.00 O ATOM 0 H ASP B 80 11.096 7.069 -24.987 1.00 0.00 H new ATOM 0 HA ASP B 80 11.822 8.059 -27.446 1.00 0.00 H new ATOM 0 HB2 ASP B 80 9.094 7.877 -26.078 1.00 0.00 H new ATOM 0 HB3 ASP B 80 9.260 8.313 -27.767 1.00 0.00 H new ATOM 1478 N GLU B 81 11.318 10.526 -27.715 1.00 0.00 N ATOM 1479 CA GLU B 81 11.469 11.961 -27.872 1.00 0.00 C ATOM 1480 C GLU B 81 12.645 12.696 -27.181 1.00 0.00 C ATOM 1481 O GLU B 81 12.681 13.951 -27.362 1.00 0.00 O ATOM 1482 CB GLU B 81 10.080 12.685 -27.735 1.00 0.00 C ATOM 1483 CG GLU B 81 8.989 11.968 -28.492 1.00 0.00 C ATOM 1484 CD GLU B 81 7.809 12.907 -28.751 1.00 0.00 C ATOM 1485 OE1 GLU B 81 7.885 14.023 -29.395 1.00 0.00 O ATOM 1486 OE2 GLU B 81 6.776 12.634 -28.061 1.00 0.00 O ATOM 0 H GLU B 81 11.572 10.007 -28.555 1.00 0.00 H new ATOM 0 HA GLU B 81 11.834 12.047 -28.896 1.00 0.00 H new ATOM 0 HB2 GLU B 81 9.808 12.749 -26.682 1.00 0.00 H new ATOM 0 HB3 GLU B 81 10.166 13.707 -28.105 1.00 0.00 H new ATOM 0 HG2 GLU B 81 9.380 11.596 -29.439 1.00 0.00 H new ATOM 0 HG3 GLU B 81 8.653 11.101 -27.923 1.00 0.00 H new ATOM 1493 N ASP B 82 13.565 12.021 -26.522 1.00 0.00 N ATOM 1494 CA ASP B 82 14.829 12.707 -26.092 1.00 0.00 C ATOM 1495 C ASP B 82 15.767 12.927 -27.330 1.00 0.00 C ATOM 1496 O ASP B 82 15.882 12.148 -28.265 1.00 0.00 O ATOM 1497 CB ASP B 82 15.462 11.882 -25.014 1.00 0.00 C ATOM 1498 CG ASP B 82 14.774 11.663 -23.720 1.00 0.00 C ATOM 1499 OD1 ASP B 82 13.861 12.515 -23.424 1.00 0.00 O ATOM 1500 OD2 ASP B 82 15.257 10.877 -22.965 1.00 0.00 O ATOM 0 H ASP B 82 13.495 11.036 -26.267 1.00 0.00 H new ATOM 0 HA ASP B 82 14.625 13.698 -25.686 1.00 0.00 H new ATOM 0 HB2 ASP B 82 15.662 10.899 -25.440 1.00 0.00 H new ATOM 0 HB3 ASP B 82 16.428 12.335 -24.790 1.00 0.00 H new ATOM 1505 N THR B 83 16.450 14.085 -27.364 1.00 0.00 N ATOM 1506 CA THR B 83 17.233 14.663 -28.476 1.00 0.00 C ATOM 1507 C THR B 83 18.728 14.710 -28.195 1.00 0.00 C ATOM 1508 O THR B 83 19.092 15.458 -27.294 1.00 0.00 O ATOM 1509 CB THR B 83 16.575 16.000 -28.845 1.00 0.00 C ATOM 1510 OG1 THR B 83 15.205 15.790 -29.149 1.00 0.00 O ATOM 1511 CG2 THR B 83 17.322 16.708 -30.050 1.00 0.00 C ATOM 0 H THR B 83 16.472 14.694 -26.546 1.00 0.00 H new ATOM 0 HA THR B 83 17.203 14.019 -29.355 1.00 0.00 H new ATOM 0 HB THR B 83 16.652 16.668 -27.987 1.00 0.00 H new ATOM 0 HG1 THR B 83 14.787 16.645 -29.382 1.00 0.00 H new ATOM 0 HG21 THR B 83 16.827 17.651 -30.282 1.00 0.00 H new ATOM 0 HG22 THR B 83 18.358 16.901 -29.773 1.00 0.00 H new ATOM 0 HG23 THR B 83 17.296 16.060 -30.926 1.00 0.00 H new ATOM 1519 N ILE B 84 19.534 14.118 -29.015 1.00 0.00 N ATOM 1520 CA ILE B 84 20.953 14.335 -29.139 1.00 0.00 C ATOM 1521 C ILE B 84 21.345 15.602 -29.914 1.00 0.00 C ATOM 1522 O ILE B 84 20.889 15.772 -31.019 1.00 0.00 O ATOM 1523 CB ILE B 84 21.562 13.040 -29.729 1.00 0.00 C ATOM 1524 CG1 ILE B 84 21.244 11.815 -28.736 1.00 0.00 C ATOM 1525 CG2 ILE B 84 23.055 13.242 -29.848 1.00 0.00 C ATOM 1526 CD1 ILE B 84 21.647 10.413 -29.135 1.00 0.00 C ATOM 0 H ILE B 84 19.198 13.413 -29.671 1.00 0.00 H new ATOM 0 HA ILE B 84 21.368 14.536 -28.151 1.00 0.00 H new ATOM 0 HB ILE B 84 21.139 12.818 -30.709 1.00 0.00 H new ATOM 0 HG12 ILE B 84 21.723 12.034 -27.782 1.00 0.00 H new ATOM 0 HG13 ILE B 84 20.169 11.808 -28.558 1.00 0.00 H new ATOM 0 HG21 ILE B 84 23.512 12.343 -30.262 1.00 0.00 H new ATOM 0 HG22 ILE B 84 23.256 14.087 -30.506 1.00 0.00 H new ATOM 0 HG23 ILE B 84 23.475 13.441 -28.862 1.00 0.00 H new ATOM 0 HD11 ILE B 84 21.357 9.714 -28.351 1.00 0.00 H new ATOM 0 HD12 ILE B 84 21.148 10.142 -30.065 1.00 0.00 H new ATOM 0 HD13 ILE B 84 22.727 10.371 -29.277 1.00 0.00 H new ATOM 1538 N ASP B 85 22.005 16.520 -29.174 1.00 0.00 N ATOM 1539 CA ASP B 85 22.485 17.852 -29.705 1.00 0.00 C ATOM 1540 C ASP B 85 23.908 17.732 -30.396 1.00 0.00 C ATOM 1541 O ASP B 85 24.838 17.240 -29.775 1.00 0.00 O ATOM 1542 CB ASP B 85 22.550 18.825 -28.581 1.00 0.00 C ATOM 1543 CG ASP B 85 21.194 19.208 -27.989 1.00 0.00 C ATOM 1544 OD1 ASP B 85 20.379 19.858 -28.760 1.00 0.00 O ATOM 1545 OD2 ASP B 85 20.852 19.052 -26.765 1.00 0.00 O ATOM 0 H ASP B 85 22.229 16.375 -28.189 1.00 0.00 H new ATOM 0 HA ASP B 85 21.781 18.194 -30.463 1.00 0.00 H new ATOM 0 HB2 ASP B 85 23.171 18.405 -27.790 1.00 0.00 H new ATOM 0 HB3 ASP B 85 23.048 19.730 -28.930 1.00 0.00 H new ATOM 1550 N VAL B 86 23.962 18.171 -31.627 1.00 0.00 N ATOM 1551 CA VAL B 86 25.209 18.104 -32.366 1.00 0.00 C ATOM 1552 C VAL B 86 25.830 19.440 -32.615 1.00 0.00 C ATOM 1553 O VAL B 86 25.149 20.332 -33.146 1.00 0.00 O ATOM 1554 CB VAL B 86 25.000 17.318 -33.671 1.00 0.00 C ATOM 1555 CG1 VAL B 86 26.320 17.191 -34.470 1.00 0.00 C ATOM 1556 CG2 VAL B 86 24.185 16.023 -33.365 1.00 0.00 C ATOM 0 H VAL B 86 23.176 18.573 -32.137 1.00 0.00 H new ATOM 0 HA VAL B 86 25.926 17.573 -31.740 1.00 0.00 H new ATOM 0 HB VAL B 86 24.373 17.857 -34.382 1.00 0.00 H new ATOM 0 HG11 VAL B 86 26.138 16.630 -35.387 1.00 0.00 H new ATOM 0 HG12 VAL B 86 26.691 18.185 -34.720 1.00 0.00 H new ATOM 0 HG13 VAL B 86 27.062 16.668 -33.866 1.00 0.00 H new ATOM 0 HG21 VAL B 86 24.034 15.462 -34.287 1.00 0.00 H new ATOM 0 HG22 VAL B 86 24.734 15.408 -32.652 1.00 0.00 H new ATOM 0 HG23 VAL B 86 23.217 16.293 -32.942 1.00 0.00 H new ATOM 1566 N PHE B 87 27.126 19.696 -32.267 1.00 0.00 N ATOM 1567 CA PHE B 87 27.888 20.910 -32.428 1.00 0.00 C ATOM 1568 C PHE B 87 29.031 20.795 -33.348 1.00 0.00 C ATOM 1569 O PHE B 87 29.542 19.655 -33.475 1.00 0.00 O ATOM 1570 CB PHE B 87 28.461 21.225 -31.112 1.00 0.00 C ATOM 1571 CG PHE B 87 27.496 21.837 -30.043 1.00 0.00 C ATOM 1572 CD1 PHE B 87 26.495 21.075 -29.365 1.00 0.00 C ATOM 1573 CD2 PHE B 87 27.631 23.211 -29.831 1.00 0.00 C ATOM 1574 CE1 PHE B 87 25.662 21.758 -28.421 1.00 0.00 C ATOM 1575 CE2 PHE B 87 26.965 23.848 -28.773 1.00 0.00 C ATOM 1576 CZ PHE B 87 25.918 23.135 -28.106 1.00 0.00 C ATOM 0 H PHE B 87 27.690 18.969 -31.827 1.00 0.00 H new ATOM 0 HA PHE B 87 27.209 21.660 -32.834 1.00 0.00 H new ATOM 0 HB2 PHE B 87 28.886 20.310 -30.700 1.00 0.00 H new ATOM 0 HB3 PHE B 87 29.287 21.921 -31.260 1.00 0.00 H new ATOM 0 HD1 PHE B 87 26.371 20.020 -29.558 1.00 0.00 H new ATOM 0 HD2 PHE B 87 28.258 23.792 -30.492 1.00 0.00 H new ATOM 0 HE1 PHE B 87 24.843 21.238 -27.947 1.00 0.00 H new ATOM 0 HE2 PHE B 87 27.235 24.849 -28.470 1.00 0.00 H new ATOM 0 HZ PHE B 87 25.317 23.636 -27.361 1.00 0.00 H new ATOM 1586 N GLN B 88 29.428 21.852 -34.035 1.00 0.00 N ATOM 1587 CA GLN B 88 30.728 21.997 -34.710 1.00 0.00 C ATOM 1588 C GLN B 88 31.870 22.095 -33.709 1.00 0.00 C ATOM 1589 O GLN B 88 31.649 22.398 -32.499 1.00 0.00 O ATOM 1590 CB GLN B 88 30.801 23.255 -35.653 1.00 0.00 C ATOM 1591 CG GLN B 88 29.758 23.239 -36.755 1.00 0.00 C ATOM 1592 CD GLN B 88 29.704 24.551 -37.563 1.00 0.00 C ATOM 1593 OE1 GLN B 88 30.636 25.255 -37.806 1.00 0.00 O ATOM 1594 NE2 GLN B 88 28.537 24.957 -38.022 1.00 0.00 N ATOM 0 H GLN B 88 28.835 22.674 -34.149 1.00 0.00 H new ATOM 0 HA GLN B 88 30.829 21.098 -35.318 1.00 0.00 H new ATOM 0 HB2 GLN B 88 30.674 24.157 -35.055 1.00 0.00 H new ATOM 0 HB3 GLN B 88 31.793 23.307 -36.102 1.00 0.00 H new ATOM 0 HG2 GLN B 88 29.968 22.412 -37.433 1.00 0.00 H new ATOM 0 HG3 GLN B 88 28.778 23.050 -36.316 1.00 0.00 H new ATOM 0 HE21 GLN B 88 27.700 24.401 -37.849 1.00 0.00 H new ATOM 0 HE22 GLN B 88 28.471 25.827 -38.550 1.00 0.00 H new ATOM 1603 N GLN B 89 33.091 21.846 -34.149 1.00 0.00 N ATOM 1604 CA GLN B 89 34.384 22.018 -33.414 1.00 0.00 C ATOM 1605 C GLN B 89 35.428 22.792 -34.182 1.00 0.00 C ATOM 1606 O GLN B 89 35.568 22.758 -35.374 1.00 0.00 O ATOM 1607 CB GLN B 89 35.047 20.624 -33.103 1.00 0.00 C ATOM 1608 CG GLN B 89 34.260 19.602 -32.238 1.00 0.00 C ATOM 1609 CD GLN B 89 34.036 20.089 -30.769 1.00 0.00 C ATOM 1610 OE1 GLN B 89 34.669 19.698 -29.835 1.00 0.00 O ATOM 1611 NE2 GLN B 89 33.160 21.009 -30.459 1.00 0.00 N ATOM 0 H GLN B 89 33.243 21.492 -35.094 1.00 0.00 H new ATOM 0 HA GLN B 89 34.104 22.565 -32.514 1.00 0.00 H new ATOM 0 HB2 GLN B 89 35.274 20.146 -34.056 1.00 0.00 H new ATOM 0 HB3 GLN B 89 35.999 20.814 -32.607 1.00 0.00 H new ATOM 0 HG2 GLN B 89 33.293 19.410 -32.703 1.00 0.00 H new ATOM 0 HG3 GLN B 89 34.800 18.655 -32.223 1.00 0.00 H new ATOM 0 HE21 GLN B 89 32.566 21.412 -31.183 1.00 0.00 H new ATOM 0 HE22 GLN B 89 33.071 21.324 -29.493 1.00 0.00 H new