USER MOD reduce.3.24.130724 H: found=0, std=0, add=637, rem=0, adj=13 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 21 LYS NZ :NH3+ -163:sc= 1.27 (180deg=-0.00212) USER MOD Set 1.2: B 31 GLN : amide:sc= 1.01 K(o=2.3,f=-6.2!) USER MOD Set 2.1: B 28 SER OG : rot -69:sc= 1.85 USER MOD Set 2.2: B 47 TYR OH : rot -34:sc= 0.792 USER MOD Single : B 17 HIS : no HE2:sc= -0.127 X(o=-0.13,f=-0.35) USER MOD Single : B 19 ASN : amide:sc= 0.711 K(o=0.71,f=0) USER MOD Single : B 25 GLN : amide:sc= 0.249 X(o=0.25,f=-0.099) 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= 0.346 K(o=0.35,f=-2.4!) USER MOD Single : B 38 THR OG1 : rot -130:sc= 0 USER MOD Single : B 41 SER OG : rot -131:sc= 0.944 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 44 MET CE :methyl -174:sc= -0.226 (180deg=-0.397) USER MOD Single : B 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 48 CYS SG : rot -68:sc= 0.264 USER MOD Single : B 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 54 SER OG : rot 170:sc= 0 USER MOD Single : B 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 57 GLN : amide:sc= 0.16 K(o=0.16,f=-3!) USER MOD Single : B 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 68 ASN : amide:sc= 0.0254 X(o=0.025,f=0) USER MOD Single : B 70 THR OG1 : rot 180:sc= 0 USER MOD Single : B 72 THR OG1 : rot -170:sc= 0.0371 USER MOD Single : B 75 GLN : amide:sc= -0.0212 X(o=-0.021,f=-0.3) USER MOD Single : B 78 MET CE :methyl -168:sc= -2.66 (180deg=-2.74) USER MOD Single : B 83 THR OG1 : rot 180:sc= 0 USER MOD Single : B 88 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : B 89 GLN : amide:sc= 0.674 K(o=0.67,f=0) USER MOD ----------------------------------------------------------------- ATOM 22 N ASP A 38 13.159 12.446 -46.143 1.00 0.00 N ATOM 23 CA ASP A 38 14.076 11.367 -45.796 1.00 0.00 C ATOM 24 C ASP A 38 14.830 11.585 -44.384 1.00 0.00 C ATOM 25 O ASP A 38 15.964 11.131 -44.170 1.00 0.00 O ATOM 26 CB ASP A 38 14.997 10.991 -46.970 1.00 0.00 C ATOM 27 CG ASP A 38 15.747 9.658 -46.740 1.00 0.00 C ATOM 28 OD1 ASP A 38 15.026 8.630 -46.564 1.00 0.00 O ATOM 29 OD2 ASP A 38 16.983 9.564 -46.768 1.00 0.00 O ATOM 0 HA ASP A 38 13.464 10.483 -45.618 1.00 0.00 H new ATOM 0 HB2 ASP A 38 14.404 10.916 -47.882 1.00 0.00 H new ATOM 0 HB3 ASP A 38 15.723 11.789 -47.126 1.00 0.00 H new ATOM 34 N ALA A 39 14.235 12.357 -43.439 1.00 0.00 N ATOM 35 CA ALA A 39 14.781 12.671 -42.102 1.00 0.00 C ATOM 36 C ALA A 39 14.490 11.462 -41.154 1.00 0.00 C ATOM 37 O ALA A 39 13.852 11.571 -40.059 1.00 0.00 O ATOM 38 CB ALA A 39 14.194 13.925 -41.540 1.00 0.00 C ATOM 0 H ALA A 39 13.327 12.793 -43.598 1.00 0.00 H new ATOM 0 HA ALA A 39 15.855 12.837 -42.190 1.00 0.00 H new ATOM 0 HB1 ALA A 39 14.623 14.119 -40.557 1.00 0.00 H new ATOM 0 HB2 ALA A 39 14.417 14.760 -42.204 1.00 0.00 H new ATOM 0 HB3 ALA A 39 13.114 13.812 -41.449 1.00 0.00 H new ATOM 44 N PHE A 40 15.005 10.280 -41.485 1.00 0.00 N ATOM 45 CA PHE A 40 14.472 9.021 -40.920 1.00 0.00 C ATOM 46 C PHE A 40 15.397 7.913 -41.267 1.00 0.00 C ATOM 47 O PHE A 40 15.755 7.846 -42.453 1.00 0.00 O ATOM 48 CB PHE A 40 13.051 8.853 -41.542 1.00 0.00 C ATOM 49 CG PHE A 40 12.101 8.130 -40.596 1.00 0.00 C ATOM 50 CD1 PHE A 40 12.313 6.772 -40.223 1.00 0.00 C ATOM 51 CD2 PHE A 40 11.066 8.884 -40.026 1.00 0.00 C ATOM 52 CE1 PHE A 40 11.474 6.143 -39.254 1.00 0.00 C ATOM 53 CE2 PHE A 40 10.182 8.285 -39.077 1.00 0.00 C ATOM 54 CZ PHE A 40 10.429 6.912 -38.719 1.00 0.00 C ATOM 0 H PHE A 40 15.783 10.157 -42.134 1.00 0.00 H new ATOM 0 HA PHE A 40 14.394 9.024 -39.833 1.00 0.00 H new ATOM 0 HB2 PHE A 40 12.643 9.834 -41.787 1.00 0.00 H new ATOM 0 HB3 PHE A 40 13.127 8.297 -42.476 1.00 0.00 H new ATOM 0 HD1 PHE A 40 13.117 6.212 -40.678 1.00 0.00 H new ATOM 0 HD2 PHE A 40 10.937 9.919 -40.305 1.00 0.00 H new ATOM 0 HE1 PHE A 40 11.636 5.121 -38.946 1.00 0.00 H new ATOM 0 HE2 PHE A 40 9.362 8.839 -38.645 1.00 0.00 H new ATOM 0 HZ PHE A 40 9.773 6.448 -37.998 1.00 0.00 H new ATOM 64 N ILE A 41 15.876 7.237 -40.278 1.00 0.00 N ATOM 65 CA ILE A 41 16.818 6.172 -40.417 1.00 0.00 C ATOM 66 C ILE A 41 16.506 5.065 -39.355 1.00 0.00 C ATOM 67 O ILE A 41 16.311 5.476 -38.190 1.00 0.00 O ATOM 68 CB ILE A 41 18.274 6.612 -40.308 1.00 0.00 C ATOM 69 CG1 ILE A 41 18.735 7.833 -41.187 1.00 0.00 C ATOM 70 CG2 ILE A 41 19.191 5.428 -40.659 1.00 0.00 C ATOM 71 CD1 ILE A 41 20.162 8.255 -40.893 1.00 0.00 C ATOM 0 H ILE A 41 15.612 7.417 -39.309 1.00 0.00 H new ATOM 0 HA ILE A 41 16.703 5.782 -41.428 1.00 0.00 H new ATOM 0 HB ILE A 41 18.353 6.952 -39.275 1.00 0.00 H new ATOM 0 HG12 ILE A 41 18.647 7.571 -42.241 1.00 0.00 H new ATOM 0 HG13 ILE A 41 18.067 8.676 -41.011 1.00 0.00 H new ATOM 0 HG21 ILE A 41 20.233 5.739 -40.582 1.00 0.00 H new ATOM 0 HG22 ILE A 41 19.006 4.607 -39.967 1.00 0.00 H new ATOM 0 HG23 ILE A 41 18.985 5.098 -41.677 1.00 0.00 H new ATOM 0 HD11 ILE A 41 20.429 9.101 -41.527 1.00 0.00 H new ATOM 0 HD12 ILE A 41 20.247 8.545 -39.846 1.00 0.00 H new ATOM 0 HD13 ILE A 41 20.836 7.423 -41.095 1.00 0.00 H new ATOM 83 N VAL A 42 16.548 3.824 -39.681 1.00 0.00 N ATOM 84 CA VAL A 42 16.148 2.762 -38.751 1.00 0.00 C ATOM 85 C VAL A 42 17.285 1.822 -38.465 1.00 0.00 C ATOM 86 O VAL A 42 18.018 1.348 -39.349 1.00 0.00 O ATOM 87 CB VAL A 42 14.959 1.972 -39.345 1.00 0.00 C ATOM 88 CG1 VAL A 42 14.003 1.489 -38.195 1.00 0.00 C ATOM 89 CG2 VAL A 42 14.084 2.843 -40.150 1.00 0.00 C ATOM 0 H VAL A 42 16.856 3.488 -40.593 1.00 0.00 H new ATOM 0 HA VAL A 42 15.853 3.230 -37.812 1.00 0.00 H new ATOM 0 HB VAL A 42 15.400 1.162 -39.926 1.00 0.00 H new ATOM 0 HG11 VAL A 42 13.169 0.934 -38.624 1.00 0.00 H new ATOM 0 HG12 VAL A 42 14.554 0.844 -37.510 1.00 0.00 H new ATOM 0 HG13 VAL A 42 13.622 2.354 -37.652 1.00 0.00 H new ATOM 0 HG21 VAL A 42 13.258 2.257 -40.553 1.00 0.00 H new ATOM 0 HG22 VAL A 42 13.689 3.642 -39.523 1.00 0.00 H new ATOM 0 HG23 VAL A 42 14.656 3.275 -40.971 1.00 0.00 H new ATOM 99 N ILE A 43 17.679 1.652 -37.182 1.00 0.00 N ATOM 100 CA ILE A 43 18.964 1.106 -36.736 1.00 0.00 C ATOM 101 C ILE A 43 18.887 0.076 -35.611 1.00 0.00 C ATOM 102 O ILE A 43 18.186 0.372 -34.635 1.00 0.00 O ATOM 103 CB ILE A 43 19.883 2.277 -36.349 1.00 0.00 C ATOM 104 CG1 ILE A 43 20.114 3.219 -37.629 1.00 0.00 C ATOM 105 CG2 ILE A 43 21.218 1.663 -35.919 1.00 0.00 C ATOM 106 CD1 ILE A 43 21.295 4.261 -37.440 1.00 0.00 C ATOM 0 H ILE A 43 17.076 1.906 -36.400 1.00 0.00 H new ATOM 0 HA ILE A 43 19.369 0.542 -37.576 1.00 0.00 H new ATOM 0 HB ILE A 43 19.448 2.877 -35.550 1.00 0.00 H new ATOM 0 HG12 ILE A 43 20.326 2.594 -38.497 1.00 0.00 H new ATOM 0 HG13 ILE A 43 19.193 3.760 -37.843 1.00 0.00 H new ATOM 0 HG21 ILE A 43 21.908 2.457 -35.633 1.00 0.00 H new ATOM 0 HG22 ILE A 43 21.056 0.999 -35.070 1.00 0.00 H new ATOM 0 HG23 ILE A 43 21.641 1.095 -36.748 1.00 0.00 H new ATOM 0 HD11 ILE A 43 21.396 4.864 -38.342 1.00 0.00 H new ATOM 0 HD12 ILE A 43 21.076 4.910 -36.592 1.00 0.00 H new ATOM 0 HD13 ILE A 43 22.226 3.726 -37.256 1.00 0.00 H new ATOM 439 N HIS B 17 11.759 -0.717 -27.845 1.00 0.00 N ATOM 440 CA HIS B 17 12.152 0.436 -28.795 1.00 0.00 C ATOM 441 C HIS B 17 12.061 1.876 -28.182 1.00 0.00 C ATOM 442 O HIS B 17 11.195 2.141 -27.335 1.00 0.00 O ATOM 443 CB HIS B 17 11.370 0.380 -30.143 1.00 0.00 C ATOM 444 CG HIS B 17 11.819 -0.788 -31.013 1.00 0.00 C ATOM 445 ND1 HIS B 17 11.109 -1.981 -31.178 1.00 0.00 N ATOM 446 CD2 HIS B 17 13.044 -0.978 -31.595 1.00 0.00 C ATOM 447 CE1 HIS B 17 11.792 -2.739 -32.023 1.00 0.00 C ATOM 448 NE2 HIS B 17 13.008 -2.223 -32.177 1.00 0.00 N ATOM 0 HA HIS B 17 13.212 0.259 -28.979 1.00 0.00 H new ATOM 0 HB2 HIS B 17 10.303 0.292 -29.940 1.00 0.00 H new ATOM 0 HB3 HIS B 17 11.515 1.314 -30.686 1.00 0.00 H new ATOM 0 HD1 HIS B 17 10.226 -2.224 -30.729 1.00 0.00 H new ATOM 0 HD2 HIS B 17 13.874 -0.287 -31.596 1.00 0.00 H new ATOM 0 HE1 HIS B 17 11.422 -3.630 -32.508 1.00 0.00 H new ATOM 456 N ILE B 18 12.993 2.730 -28.646 1.00 0.00 N ATOM 457 CA ILE B 18 12.995 4.169 -28.246 1.00 0.00 C ATOM 458 C ILE B 18 13.213 5.145 -29.394 1.00 0.00 C ATOM 459 O ILE B 18 13.875 4.699 -30.347 1.00 0.00 O ATOM 460 CB ILE B 18 14.034 4.364 -27.186 1.00 0.00 C ATOM 461 CG1 ILE B 18 13.930 5.715 -26.509 1.00 0.00 C ATOM 462 CG2 ILE B 18 15.455 3.987 -27.654 1.00 0.00 C ATOM 463 CD1 ILE B 18 14.471 5.635 -25.104 1.00 0.00 C ATOM 0 H ILE B 18 13.743 2.466 -29.285 1.00 0.00 H new ATOM 0 HA ILE B 18 11.997 4.398 -27.872 1.00 0.00 H new ATOM 0 HB ILE B 18 13.813 3.643 -26.399 1.00 0.00 H new ATOM 0 HG12 ILE B 18 14.486 6.459 -27.079 1.00 0.00 H new ATOM 0 HG13 ILE B 18 12.890 6.041 -26.488 1.00 0.00 H new ATOM 0 HG21 ILE B 18 16.161 4.151 -26.840 1.00 0.00 H new ATOM 0 HG22 ILE B 18 15.475 2.937 -27.946 1.00 0.00 H new ATOM 0 HG23 ILE B 18 15.734 4.606 -28.507 1.00 0.00 H new ATOM 0 HD11 ILE B 18 14.391 6.612 -24.627 1.00 0.00 H new ATOM 0 HD12 ILE B 18 13.896 4.905 -24.534 1.00 0.00 H new ATOM 0 HD13 ILE B 18 15.517 5.330 -25.134 1.00 0.00 H new ATOM 475 N ASN B 19 12.628 6.321 -29.439 1.00 0.00 N ATOM 476 CA ASN B 19 12.714 7.237 -30.498 1.00 0.00 C ATOM 477 C ASN B 19 13.737 8.368 -30.119 1.00 0.00 C ATOM 478 O ASN B 19 13.447 9.100 -29.167 1.00 0.00 O ATOM 479 CB ASN B 19 11.355 7.823 -30.672 1.00 0.00 C ATOM 480 CG ASN B 19 10.324 6.836 -31.231 1.00 0.00 C ATOM 481 OD1 ASN B 19 10.304 6.630 -32.426 1.00 0.00 O ATOM 482 ND2 ASN B 19 9.446 6.382 -30.372 1.00 0.00 N ATOM 0 H ASN B 19 12.046 6.663 -28.674 1.00 0.00 H new ATOM 0 HA ASN B 19 13.051 6.756 -31.417 1.00 0.00 H new ATOM 0 HB2 ASN B 19 11.004 8.195 -29.710 1.00 0.00 H new ATOM 0 HB3 ASN B 19 11.422 8.681 -31.340 1.00 0.00 H new ATOM 0 HD21 ASN B 19 8.669 5.806 -30.694 1.00 0.00 H new ATOM 0 HD22 ASN B 19 9.540 6.605 -29.381 1.00 0.00 H new ATOM 489 N LEU B 20 14.921 8.437 -30.784 1.00 0.00 N ATOM 490 CA LEU B 20 15.891 9.541 -30.592 1.00 0.00 C ATOM 491 C LEU B 20 16.155 10.386 -31.898 1.00 0.00 C ATOM 492 O LEU B 20 16.402 9.808 -32.975 1.00 0.00 O ATOM 493 CB LEU B 20 17.221 8.926 -30.085 1.00 0.00 C ATOM 494 CG LEU B 20 17.017 8.350 -28.700 1.00 0.00 C ATOM 495 CD1 LEU B 20 18.329 7.809 -28.207 1.00 0.00 C ATOM 496 CD2 LEU B 20 16.678 9.428 -27.632 1.00 0.00 C ATOM 0 H LEU B 20 15.224 7.736 -31.460 1.00 0.00 H new ATOM 0 HA LEU B 20 15.466 10.237 -29.869 1.00 0.00 H new ATOM 0 HB2 LEU B 20 17.557 8.146 -30.769 1.00 0.00 H new ATOM 0 HB3 LEU B 20 18.000 9.688 -30.062 1.00 0.00 H new ATOM 0 HG LEU B 20 16.212 7.623 -28.802 1.00 0.00 H new ATOM 0 HD11 LEU B 20 18.198 7.390 -27.209 1.00 0.00 H new ATOM 0 HD12 LEU B 20 18.679 7.030 -28.884 1.00 0.00 H new ATOM 0 HD13 LEU B 20 19.063 8.614 -28.169 1.00 0.00 H new ATOM 0 HD21 LEU B 20 16.544 8.950 -26.662 1.00 0.00 H new ATOM 0 HD22 LEU B 20 17.493 10.149 -27.571 1.00 0.00 H new ATOM 0 HD23 LEU B 20 15.759 9.942 -27.913 1.00 0.00 H new ATOM 508 N LYS B 21 16.251 11.703 -31.710 1.00 0.00 N ATOM 509 CA LYS B 21 16.772 12.704 -32.668 1.00 0.00 C ATOM 510 C LYS B 21 18.274 12.948 -32.520 1.00 0.00 C ATOM 511 O LYS B 21 18.840 12.940 -31.412 1.00 0.00 O ATOM 512 CB LYS B 21 16.031 14.036 -32.518 1.00 0.00 C ATOM 513 CG LYS B 21 14.654 14.272 -33.041 1.00 0.00 C ATOM 514 CD LYS B 21 14.422 14.371 -34.583 1.00 0.00 C ATOM 515 CE LYS B 21 13.138 15.106 -35.024 1.00 0.00 C ATOM 516 NZ LYS B 21 11.930 14.671 -34.291 1.00 0.00 N ATOM 0 H LYS B 21 15.952 12.135 -30.836 1.00 0.00 H new ATOM 0 HA LYS B 21 16.599 12.288 -33.660 1.00 0.00 H new ATOM 0 HB2 LYS B 21 15.995 14.249 -31.450 1.00 0.00 H new ATOM 0 HB3 LYS B 21 16.667 14.795 -32.973 1.00 0.00 H new ATOM 0 HG2 LYS B 21 14.020 13.468 -32.667 1.00 0.00 H new ATOM 0 HG3 LYS B 21 14.290 15.198 -32.596 1.00 0.00 H new ATOM 0 HD2 LYS B 21 15.279 14.877 -35.028 1.00 0.00 H new ATOM 0 HD3 LYS B 21 14.399 13.361 -34.993 1.00 0.00 H new ATOM 0 HE2 LYS B 21 13.275 16.178 -34.880 1.00 0.00 H new ATOM 0 HE3 LYS B 21 12.984 14.944 -36.091 1.00 0.00 H new ATOM 0 HZ1 LYS B 21 11.081 14.973 -34.810 1.00 0.00 H new ATOM 0 HZ2 LYS B 21 11.932 13.635 -34.203 1.00 0.00 H new ATOM 0 HZ3 LYS B 21 11.926 15.099 -33.343 1.00 0.00 H new ATOM 530 N VAL B 22 18.904 13.493 -33.593 1.00 0.00 N ATOM 531 CA VAL B 22 20.222 14.080 -33.666 1.00 0.00 C ATOM 532 C VAL B 22 20.163 15.321 -34.516 1.00 0.00 C ATOM 533 O VAL B 22 19.736 15.319 -35.671 1.00 0.00 O ATOM 534 CB VAL B 22 21.274 13.067 -34.247 1.00 0.00 C ATOM 535 CG1 VAL B 22 22.712 13.579 -34.179 1.00 0.00 C ATOM 536 CG2 VAL B 22 21.306 11.717 -33.454 1.00 0.00 C ATOM 0 H VAL B 22 18.439 13.524 -34.501 1.00 0.00 H new ATOM 0 HA VAL B 22 20.544 14.338 -32.657 1.00 0.00 H new ATOM 0 HB VAL B 22 20.947 12.935 -35.278 1.00 0.00 H new ATOM 0 HG11 VAL B 22 23.385 12.830 -34.597 1.00 0.00 H new ATOM 0 HG12 VAL B 22 22.797 14.503 -34.752 1.00 0.00 H new ATOM 0 HG13 VAL B 22 22.981 13.770 -33.140 1.00 0.00 H new ATOM 0 HG21 VAL B 22 22.049 11.053 -33.896 1.00 0.00 H new ATOM 0 HG22 VAL B 22 21.567 11.912 -32.414 1.00 0.00 H new ATOM 0 HG23 VAL B 22 20.325 11.245 -33.500 1.00 0.00 H new ATOM 546 N ALA B 23 20.486 16.379 -33.817 1.00 0.00 N ATOM 547 CA ALA B 23 20.167 17.746 -34.170 1.00 0.00 C ATOM 548 C ALA B 23 21.340 18.650 -34.022 1.00 0.00 C ATOM 549 O ALA B 23 21.996 18.780 -32.973 1.00 0.00 O ATOM 550 CB ALA B 23 19.054 18.337 -33.293 1.00 0.00 C ATOM 0 H ALA B 23 21.005 16.311 -32.941 1.00 0.00 H new ATOM 0 HA ALA B 23 19.845 17.692 -35.210 1.00 0.00 H new ATOM 0 HB1 ALA B 23 18.855 19.364 -33.601 1.00 0.00 H new ATOM 0 HB2 ALA B 23 18.148 17.742 -33.405 1.00 0.00 H new ATOM 0 HB3 ALA B 23 19.368 18.326 -32.249 1.00 0.00 H new ATOM 556 N GLY B 24 21.599 19.347 -35.137 1.00 0.00 N ATOM 557 CA GLY B 24 22.548 20.426 -35.300 1.00 0.00 C ATOM 558 C GLY B 24 21.999 21.845 -35.092 1.00 0.00 C ATOM 559 O GLY B 24 20.826 22.132 -35.012 1.00 0.00 O ATOM 0 H GLY B 24 21.106 19.146 -36.007 1.00 0.00 H new ATOM 0 HA2 GLY B 24 23.369 20.270 -34.600 1.00 0.00 H new ATOM 0 HA3 GLY B 24 22.969 20.364 -36.304 1.00 0.00 H new ATOM 563 N GLN B 25 22.891 22.804 -34.918 1.00 0.00 N ATOM 564 CA GLN B 25 22.543 24.161 -34.587 1.00 0.00 C ATOM 565 C GLN B 25 22.346 25.057 -35.859 1.00 0.00 C ATOM 566 O GLN B 25 21.808 26.148 -35.685 1.00 0.00 O ATOM 567 CB GLN B 25 23.612 24.882 -33.742 1.00 0.00 C ATOM 568 CG GLN B 25 24.050 24.077 -32.530 1.00 0.00 C ATOM 569 CD GLN B 25 22.909 23.476 -31.798 1.00 0.00 C ATOM 570 OE1 GLN B 25 21.999 24.134 -31.267 1.00 0.00 O ATOM 571 NE2 GLN B 25 22.962 22.261 -31.365 1.00 0.00 N ATOM 0 H GLN B 25 23.896 22.651 -35.006 1.00 0.00 H new ATOM 0 HA GLN B 25 21.617 24.051 -34.023 1.00 0.00 H new ATOM 0 HB2 GLN B 25 24.481 25.091 -34.366 1.00 0.00 H new ATOM 0 HB3 GLN B 25 23.219 25.843 -33.411 1.00 0.00 H new ATOM 0 HG2 GLN B 25 24.728 23.286 -32.850 1.00 0.00 H new ATOM 0 HG3 GLN B 25 24.610 24.722 -31.854 1.00 0.00 H new ATOM 0 HE21 GLN B 25 23.669 21.621 -31.727 1.00 0.00 H new ATOM 0 HE22 GLN B 25 22.297 21.941 -30.661 1.00 0.00 H new ATOM 580 N ASP B 26 22.649 24.549 -37.076 1.00 0.00 N ATOM 581 CA ASP B 26 21.969 24.902 -38.372 1.00 0.00 C ATOM 582 C ASP B 26 20.517 24.445 -38.550 1.00 0.00 C ATOM 583 O ASP B 26 19.975 24.535 -39.681 1.00 0.00 O ATOM 584 CB ASP B 26 22.810 24.453 -39.563 1.00 0.00 C ATOM 585 CG ASP B 26 22.780 22.997 -39.803 1.00 0.00 C ATOM 586 OD1 ASP B 26 22.480 22.221 -38.859 1.00 0.00 O ATOM 587 OD2 ASP B 26 23.302 22.601 -40.902 1.00 0.00 O ATOM 0 H ASP B 26 23.392 23.862 -37.201 1.00 0.00 H new ATOM 0 HA ASP B 26 21.896 25.989 -38.325 1.00 0.00 H new ATOM 0 HB2 ASP B 26 22.457 24.966 -40.458 1.00 0.00 H new ATOM 0 HB3 ASP B 26 23.843 24.764 -39.404 1.00 0.00 H new ATOM 592 N GLY B 27 19.921 23.785 -37.516 1.00 0.00 N ATOM 593 CA GLY B 27 18.541 23.305 -37.502 1.00 0.00 C ATOM 594 C GLY B 27 18.304 22.053 -38.357 1.00 0.00 C ATOM 595 O GLY B 27 17.140 21.717 -38.564 1.00 0.00 O ATOM 0 H GLY B 27 20.418 23.575 -36.651 1.00 0.00 H new ATOM 0 HA2 GLY B 27 18.253 23.089 -36.473 1.00 0.00 H new ATOM 0 HA3 GLY B 27 17.887 24.102 -37.855 1.00 0.00 H new ATOM 599 N SER B 28 19.297 21.362 -38.807 1.00 0.00 N ATOM 600 CA SER B 28 19.428 20.135 -39.522 1.00 0.00 C ATOM 601 C SER B 28 19.277 18.903 -38.571 1.00 0.00 C ATOM 602 O SER B 28 19.657 19.024 -37.414 1.00 0.00 O ATOM 603 CB SER B 28 20.803 19.979 -40.335 1.00 0.00 C ATOM 604 OG SER B 28 21.832 19.853 -39.394 1.00 0.00 O ATOM 0 H SER B 28 20.233 21.733 -38.641 1.00 0.00 H new ATOM 0 HA SER B 28 18.619 20.165 -40.252 1.00 0.00 H new ATOM 0 HB2 SER B 28 20.768 19.105 -40.985 1.00 0.00 H new ATOM 0 HB3 SER B 28 20.971 20.845 -40.975 1.00 0.00 H new ATOM 0 HG SER B 28 21.950 20.704 -38.922 1.00 0.00 H new ATOM 610 N VAL B 29 18.464 17.824 -38.943 1.00 0.00 N ATOM 611 CA VAL B 29 17.810 16.869 -38.005 1.00 0.00 C ATOM 612 C VAL B 29 17.693 15.521 -38.726 1.00 0.00 C ATOM 613 O VAL B 29 17.436 15.490 -39.921 1.00 0.00 O ATOM 614 CB VAL B 29 16.454 17.319 -37.524 1.00 0.00 C ATOM 615 CG1 VAL B 29 16.536 18.389 -36.401 1.00 0.00 C ATOM 616 CG2 VAL B 29 15.344 17.594 -38.557 1.00 0.00 C ATOM 0 H VAL B 29 18.259 17.615 -39.920 1.00 0.00 H new ATOM 0 HA VAL B 29 18.426 16.800 -37.109 1.00 0.00 H new ATOM 0 HB VAL B 29 16.076 16.393 -37.090 1.00 0.00 H new ATOM 0 HG11 VAL B 29 15.529 18.674 -36.096 1.00 0.00 H new ATOM 0 HG12 VAL B 29 17.072 17.978 -35.545 1.00 0.00 H new ATOM 0 HG13 VAL B 29 17.064 19.267 -36.773 1.00 0.00 H new ATOM 0 HG21 VAL B 29 14.437 17.908 -38.041 1.00 0.00 H new ATOM 0 HG22 VAL B 29 15.667 18.383 -39.236 1.00 0.00 H new ATOM 0 HG23 VAL B 29 15.143 16.686 -39.125 1.00 0.00 H new ATOM 626 N VAL B 30 17.758 14.381 -38.005 1.00 0.00 N ATOM 627 CA VAL B 30 17.283 13.024 -38.352 1.00 0.00 C ATOM 628 C VAL B 30 16.515 12.330 -37.168 1.00 0.00 C ATOM 629 O VAL B 30 17.091 12.297 -36.134 1.00 0.00 O ATOM 630 CB VAL B 30 18.409 12.067 -38.801 1.00 0.00 C ATOM 631 CG1 VAL B 30 17.732 10.749 -39.106 1.00 0.00 C ATOM 632 CG2 VAL B 30 19.023 12.595 -40.073 1.00 0.00 C ATOM 0 H VAL B 30 18.184 14.388 -37.078 1.00 0.00 H new ATOM 0 HA VAL B 30 16.607 13.196 -39.190 1.00 0.00 H new ATOM 0 HB VAL B 30 19.184 11.968 -38.041 1.00 0.00 H new ATOM 0 HG11 VAL B 30 18.478 10.024 -39.431 1.00 0.00 H new ATOM 0 HG12 VAL B 30 17.234 10.380 -38.210 1.00 0.00 H new ATOM 0 HG13 VAL B 30 16.996 10.892 -39.897 1.00 0.00 H new ATOM 0 HG21 VAL B 30 19.819 11.925 -40.398 1.00 0.00 H new ATOM 0 HG22 VAL B 30 18.259 12.654 -40.849 1.00 0.00 H new ATOM 0 HG23 VAL B 30 19.435 13.588 -39.893 1.00 0.00 H new ATOM 642 N GLN B 31 15.264 11.889 -37.342 1.00 0.00 N ATOM 643 CA GLN B 31 14.538 11.013 -36.441 1.00 0.00 C ATOM 644 C GLN B 31 15.079 9.565 -36.586 1.00 0.00 C ATOM 645 O GLN B 31 15.220 9.133 -37.745 1.00 0.00 O ATOM 646 CB GLN B 31 13.048 11.015 -36.762 1.00 0.00 C ATOM 647 CG GLN B 31 12.200 10.211 -35.720 1.00 0.00 C ATOM 648 CD GLN B 31 12.358 10.717 -34.325 1.00 0.00 C ATOM 649 OE1 GLN B 31 12.246 11.893 -34.051 1.00 0.00 O ATOM 650 NE2 GLN B 31 12.822 9.975 -33.362 1.00 0.00 N ATOM 0 H GLN B 31 14.711 12.151 -38.158 1.00 0.00 H new ATOM 0 HA GLN B 31 14.680 11.374 -35.422 1.00 0.00 H new ATOM 0 HB2 GLN B 31 12.690 12.044 -36.798 1.00 0.00 H new ATOM 0 HB3 GLN B 31 12.894 10.590 -37.754 1.00 0.00 H new ATOM 0 HG2 GLN B 31 11.148 10.259 -36.001 1.00 0.00 H new ATOM 0 HG3 GLN B 31 12.491 9.161 -35.755 1.00 0.00 H new ATOM 0 HE21 GLN B 31 12.948 8.973 -33.506 1.00 0.00 H new ATOM 0 HE22 GLN B 31 13.059 10.395 -32.463 1.00 0.00 H new ATOM 659 N PHE B 32 15.205 8.795 -35.531 1.00 0.00 N ATOM 660 CA PHE B 32 15.599 7.321 -35.525 1.00 0.00 C ATOM 661 C PHE B 32 14.759 6.651 -34.391 1.00 0.00 C ATOM 662 O PHE B 32 14.399 7.253 -33.354 1.00 0.00 O ATOM 663 CB PHE B 32 17.035 7.162 -35.062 1.00 0.00 C ATOM 664 CG PHE B 32 18.214 7.774 -35.759 1.00 0.00 C ATOM 665 CD1 PHE B 32 18.522 9.083 -35.497 1.00 0.00 C ATOM 666 CD2 PHE B 32 18.852 7.062 -36.752 1.00 0.00 C ATOM 667 CE1 PHE B 32 19.631 9.699 -36.064 1.00 0.00 C ATOM 668 CE2 PHE B 32 19.912 7.707 -37.375 1.00 0.00 C ATOM 669 CZ PHE B 32 20.305 8.896 -37.006 1.00 0.00 C ATOM 0 H PHE B 32 15.038 9.151 -34.590 1.00 0.00 H new ATOM 0 HA PHE B 32 15.453 6.902 -36.521 1.00 0.00 H new ATOM 0 HB2 PHE B 32 17.066 7.526 -34.035 1.00 0.00 H new ATOM 0 HB3 PHE B 32 17.226 6.089 -35.026 1.00 0.00 H new ATOM 0 HD1 PHE B 32 17.887 9.650 -34.833 1.00 0.00 H new ATOM 0 HD2 PHE B 32 18.546 6.064 -37.028 1.00 0.00 H new ATOM 0 HE1 PHE B 32 19.947 10.699 -35.807 1.00 0.00 H new ATOM 0 HE2 PHE B 32 20.425 7.212 -38.186 1.00 0.00 H new ATOM 0 HZ PHE B 32 21.206 9.290 -37.452 1.00 0.00 H new ATOM 679 N LYS B 33 14.643 5.348 -34.633 1.00 0.00 N ATOM 680 CA LYS B 33 14.017 4.381 -33.719 1.00 0.00 C ATOM 681 C LYS B 33 14.737 3.023 -33.629 1.00 0.00 C ATOM 682 O LYS B 33 15.042 2.318 -34.579 1.00 0.00 O ATOM 683 CB LYS B 33 12.526 4.175 -34.250 1.00 0.00 C ATOM 684 CG LYS B 33 11.730 3.272 -33.376 1.00 0.00 C ATOM 685 CD LYS B 33 10.295 3.075 -34.008 1.00 0.00 C ATOM 686 CE LYS B 33 9.544 1.815 -33.417 1.00 0.00 C ATOM 687 NZ LYS B 33 8.398 1.362 -34.209 1.00 0.00 N ATOM 0 H LYS B 33 14.989 4.919 -35.491 1.00 0.00 H new ATOM 0 HA LYS B 33 14.063 4.781 -32.706 1.00 0.00 H new ATOM 0 HB2 LYS B 33 12.030 5.143 -34.315 1.00 0.00 H new ATOM 0 HB3 LYS B 33 12.557 3.765 -35.259 1.00 0.00 H new ATOM 0 HG2 LYS B 33 12.231 2.310 -33.274 1.00 0.00 H new ATOM 0 HG3 LYS B 33 11.645 3.695 -32.375 1.00 0.00 H new ATOM 0 HD2 LYS B 33 9.696 3.968 -33.829 1.00 0.00 H new ATOM 0 HD3 LYS B 33 10.389 2.965 -35.088 1.00 0.00 H new ATOM 0 HE2 LYS B 33 10.255 0.994 -33.328 1.00 0.00 H new ATOM 0 HE3 LYS B 33 9.202 2.052 -32.409 1.00 0.00 H new ATOM 0 HZ1 LYS B 33 7.965 0.534 -33.751 1.00 0.00 H new ATOM 0 HZ2 LYS B 33 7.697 2.127 -34.275 1.00 0.00 H new ATOM 0 HZ3 LYS B 33 8.717 1.102 -35.164 1.00 0.00 H new ATOM 701 N ILE B 34 15.243 2.832 -32.450 1.00 0.00 N ATOM 702 CA ILE B 34 16.344 1.854 -32.110 1.00 0.00 C ATOM 703 C ILE B 34 15.980 1.028 -30.867 1.00 0.00 C ATOM 704 O ILE B 34 15.167 1.441 -30.051 1.00 0.00 O ATOM 705 CB ILE B 34 17.686 2.566 -31.927 1.00 0.00 C ATOM 706 CG1 ILE B 34 17.764 3.636 -30.808 1.00 0.00 C ATOM 707 CG2 ILE B 34 18.012 3.366 -33.285 1.00 0.00 C ATOM 708 CD1 ILE B 34 19.251 3.610 -30.306 1.00 0.00 C ATOM 0 H ILE B 34 14.918 3.352 -31.635 1.00 0.00 H new ATOM 0 HA ILE B 34 16.450 1.168 -32.950 1.00 0.00 H new ATOM 0 HB ILE B 34 18.377 1.767 -31.660 1.00 0.00 H new ATOM 0 HG12 ILE B 34 17.495 4.622 -31.188 1.00 0.00 H new ATOM 0 HG13 ILE B 34 17.072 3.407 -29.997 1.00 0.00 H new ATOM 0 HG21 ILE B 34 18.965 3.884 -33.182 1.00 0.00 H new ATOM 0 HG22 ILE B 34 18.069 2.663 -34.116 1.00 0.00 H new ATOM 0 HG23 ILE B 34 17.223 4.093 -33.477 1.00 0.00 H new ATOM 0 HD11 ILE B 34 19.380 4.345 -29.511 1.00 0.00 H new ATOM 0 HD12 ILE B 34 19.489 2.617 -29.924 1.00 0.00 H new ATOM 0 HD13 ILE B 34 19.919 3.850 -31.133 1.00 0.00 H new ATOM 720 N LYS B 35 16.585 -0.163 -30.737 1.00 0.00 N ATOM 721 CA LYS B 35 16.318 -0.996 -29.532 1.00 0.00 C ATOM 722 C LYS B 35 16.984 -0.396 -28.269 1.00 0.00 C ATOM 723 O LYS B 35 18.020 0.339 -28.480 1.00 0.00 O ATOM 724 CB LYS B 35 16.739 -2.447 -29.795 1.00 0.00 C ATOM 725 CG LYS B 35 15.823 -3.298 -30.726 1.00 0.00 C ATOM 726 CD LYS B 35 16.417 -4.673 -31.161 1.00 0.00 C ATOM 727 CE LYS B 35 15.466 -5.634 -31.868 1.00 0.00 C ATOM 728 NZ LYS B 35 16.144 -6.893 -32.192 1.00 0.00 N ATOM 0 H LYS B 35 17.235 -0.566 -31.412 1.00 0.00 H new ATOM 0 HA LYS B 35 15.247 -0.997 -29.332 1.00 0.00 H new ATOM 0 HB2 LYS B 35 17.740 -2.435 -30.226 1.00 0.00 H new ATOM 0 HB3 LYS B 35 16.811 -2.957 -28.834 1.00 0.00 H new ATOM 0 HG2 LYS B 35 14.876 -3.474 -30.216 1.00 0.00 H new ATOM 0 HG3 LYS B 35 15.600 -2.717 -31.621 1.00 0.00 H new ATOM 0 HD2 LYS B 35 17.264 -4.485 -31.821 1.00 0.00 H new ATOM 0 HD3 LYS B 35 16.808 -5.171 -30.274 1.00 0.00 H new ATOM 0 HE2 LYS B 35 14.604 -5.833 -31.232 1.00 0.00 H new ATOM 0 HE3 LYS B 35 15.089 -5.173 -32.781 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 15.479 -7.532 -32.672 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 16.952 -6.701 -32.817 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 16.482 -7.340 -31.316 1.00 0.00 H new ATOM 742 N ARG B 36 16.560 -0.554 -26.978 1.00 0.00 N ATOM 743 CA ARG B 36 17.094 0.270 -25.871 1.00 0.00 C ATOM 744 C ARG B 36 18.609 0.052 -25.556 1.00 0.00 C ATOM 745 O ARG B 36 19.198 0.905 -24.867 1.00 0.00 O ATOM 746 CB ARG B 36 16.142 -0.017 -24.686 1.00 0.00 C ATOM 747 CG ARG B 36 16.110 1.068 -23.590 1.00 0.00 C ATOM 748 CD ARG B 36 15.093 0.607 -22.557 1.00 0.00 C ATOM 749 NE ARG B 36 15.730 -0.329 -21.558 1.00 0.00 N ATOM 750 CZ ARG B 36 16.463 0.081 -20.574 1.00 0.00 C ATOM 751 NH1 ARG B 36 16.573 1.342 -20.237 1.00 0.00 N ATOM 752 NH2 ARG B 36 17.075 -0.741 -19.739 1.00 0.00 N ATOM 0 H ARG B 36 15.859 -1.237 -26.691 1.00 0.00 H new ATOM 0 HA ARG B 36 17.102 1.328 -26.134 1.00 0.00 H new ATOM 0 HB2 ARG B 36 15.132 -0.147 -25.075 1.00 0.00 H new ATOM 0 HB3 ARG B 36 16.432 -0.963 -24.229 1.00 0.00 H new ATOM 0 HG2 ARG B 36 17.094 1.192 -23.138 1.00 0.00 H new ATOM 0 HG3 ARG B 36 15.828 2.034 -24.008 1.00 0.00 H new ATOM 0 HD2 ARG B 36 14.677 1.471 -22.039 1.00 0.00 H new ATOM 0 HD3 ARG B 36 14.264 0.105 -23.055 1.00 0.00 H new ATOM 0 HE ARG B 36 15.575 -1.332 -21.664 1.00 0.00 H new ATOM 0 HH11 ARG B 36 16.066 2.056 -20.760 1.00 0.00 H new ATOM 0 HH12 ARG B 36 17.166 1.610 -19.451 1.00 0.00 H new ATOM 0 HH21 ARG B 36 16.980 -1.750 -19.855 1.00 0.00 H new ATOM 0 HH22 ARG B 36 17.642 -0.366 -18.978 1.00 0.00 H new ATOM 766 N HIS B 37 19.222 -0.961 -26.059 1.00 0.00 N ATOM 767 CA HIS B 37 20.676 -1.202 -25.994 1.00 0.00 C ATOM 768 C HIS B 37 21.407 -0.697 -27.254 1.00 0.00 C ATOM 769 O HIS B 37 22.651 -0.761 -27.229 1.00 0.00 O ATOM 770 CB HIS B 37 20.944 -2.742 -25.682 1.00 0.00 C ATOM 771 CG HIS B 37 20.528 -3.698 -26.802 1.00 0.00 C ATOM 772 ND1 HIS B 37 19.263 -3.672 -27.405 1.00 0.00 N ATOM 773 CD2 HIS B 37 21.304 -4.707 -27.227 1.00 0.00 C ATOM 774 CE1 HIS B 37 19.282 -4.799 -28.125 1.00 0.00 C ATOM 775 NE2 HIS B 37 20.500 -5.439 -28.095 1.00 0.00 N ATOM 0 H HIS B 37 18.725 -1.699 -26.558 1.00 0.00 H new ATOM 0 HA HIS B 37 21.098 -0.618 -25.176 1.00 0.00 H new ATOM 0 HB2 HIS B 37 22.006 -2.879 -25.480 1.00 0.00 H new ATOM 0 HB3 HIS B 37 20.409 -3.014 -24.772 1.00 0.00 H new ATOM 0 HD2 HIS B 37 22.330 -4.907 -26.954 1.00 0.00 H new ATOM 0 HE1 HIS B 37 18.429 -5.169 -28.674 1.00 0.00 H new ATOM 0 HE2 HIS B 37 20.761 -6.282 -28.607 1.00 0.00 H new ATOM 783 N THR B 38 20.741 -0.221 -28.323 1.00 0.00 N ATOM 784 CA THR B 38 21.509 -0.060 -29.573 1.00 0.00 C ATOM 785 C THR B 38 22.430 1.106 -29.456 1.00 0.00 C ATOM 786 O THR B 38 21.940 2.168 -29.003 1.00 0.00 O ATOM 787 CB THR B 38 20.640 0.103 -30.792 1.00 0.00 C ATOM 788 OG1 THR B 38 19.783 -1.006 -31.065 1.00 0.00 O ATOM 789 CG2 THR B 38 21.285 0.265 -32.120 1.00 0.00 C ATOM 0 H THR B 38 19.755 0.040 -28.355 1.00 0.00 H new ATOM 0 HA THR B 38 22.075 -0.982 -29.710 1.00 0.00 H new ATOM 0 HB THR B 38 20.153 1.022 -30.465 1.00 0.00 H new ATOM 0 HG1 THR B 38 19.878 -1.269 -32.004 1.00 0.00 H new ATOM 0 HG21 THR B 38 20.518 0.370 -32.887 1.00 0.00 H new ATOM 0 HG22 THR B 38 21.914 1.155 -32.113 1.00 0.00 H new ATOM 0 HG23 THR B 38 21.897 -0.611 -32.336 1.00 0.00 H new ATOM 797 N PRO B 39 23.751 1.081 -29.865 1.00 0.00 N ATOM 798 CA PRO B 39 24.667 2.157 -29.658 1.00 0.00 C ATOM 799 C PRO B 39 24.311 3.414 -30.372 1.00 0.00 C ATOM 800 O PRO B 39 24.103 3.501 -31.560 1.00 0.00 O ATOM 801 CB PRO B 39 26.026 1.497 -29.954 1.00 0.00 C ATOM 802 CG PRO B 39 25.833 0.020 -29.620 1.00 0.00 C ATOM 803 CD PRO B 39 24.419 -0.136 -30.121 1.00 0.00 C ATOM 0 HA PRO B 39 24.664 2.574 -28.651 1.00 0.00 H new ATOM 0 HB2 PRO B 39 26.310 1.631 -30.998 1.00 0.00 H new ATOM 0 HB3 PRO B 39 26.818 1.938 -29.349 1.00 0.00 H new ATOM 0 HG2 PRO B 39 26.540 -0.628 -30.139 1.00 0.00 H new ATOM 0 HG3 PRO B 39 25.931 -0.190 -28.555 1.00 0.00 H new ATOM 0 HD2 PRO B 39 24.411 -0.363 -31.187 1.00 0.00 H new ATOM 0 HD3 PRO B 39 23.920 -0.963 -29.615 1.00 0.00 H new ATOM 811 N LEU B 40 24.492 4.508 -29.603 1.00 0.00 N ATOM 812 CA LEU B 40 24.225 5.840 -30.211 1.00 0.00 C ATOM 813 C LEU B 40 25.125 6.272 -31.344 1.00 0.00 C ATOM 814 O LEU B 40 24.779 7.018 -32.305 1.00 0.00 O ATOM 815 CB LEU B 40 24.169 6.872 -29.092 1.00 0.00 C ATOM 816 CG LEU B 40 23.065 6.536 -28.047 1.00 0.00 C ATOM 817 CD1 LEU B 40 23.303 7.389 -26.827 1.00 0.00 C ATOM 818 CD2 LEU B 40 21.668 6.697 -28.434 1.00 0.00 C ATOM 0 H LEU B 40 24.799 4.511 -28.630 1.00 0.00 H new ATOM 0 HA LEU B 40 23.266 5.751 -30.721 1.00 0.00 H new ATOM 0 HB2 LEU B 40 25.137 6.920 -28.594 1.00 0.00 H new ATOM 0 HB3 LEU B 40 23.979 7.858 -29.516 1.00 0.00 H new ATOM 0 HG LEU B 40 23.174 5.462 -27.894 1.00 0.00 H new ATOM 0 HD11 LEU B 40 22.542 7.173 -26.078 1.00 0.00 H new ATOM 0 HD12 LEU B 40 24.289 7.170 -26.416 1.00 0.00 H new ATOM 0 HD13 LEU B 40 23.251 8.442 -27.104 1.00 0.00 H new ATOM 0 HD21 LEU B 40 21.025 6.423 -27.598 1.00 0.00 H new ATOM 0 HD22 LEU B 40 21.484 7.736 -28.708 1.00 0.00 H new ATOM 0 HD23 LEU B 40 21.450 6.053 -29.286 1.00 0.00 H new ATOM 830 N SER B 41 26.361 5.667 -31.385 1.00 0.00 N ATOM 831 CA SER B 41 27.294 5.982 -32.461 1.00 0.00 C ATOM 832 C SER B 41 26.828 5.572 -33.838 1.00 0.00 C ATOM 833 O SER B 41 27.191 6.114 -34.885 1.00 0.00 O ATOM 834 CB SER B 41 28.592 5.194 -32.186 1.00 0.00 C ATOM 835 OG SER B 41 28.375 3.833 -32.114 1.00 0.00 O ATOM 0 H SER B 41 26.699 4.989 -30.702 1.00 0.00 H new ATOM 0 HA SER B 41 27.410 7.066 -32.466 1.00 0.00 H new ATOM 0 HB2 SER B 41 29.315 5.403 -32.975 1.00 0.00 H new ATOM 0 HB3 SER B 41 29.032 5.539 -31.251 1.00 0.00 H new ATOM 0 HG SER B 41 28.807 3.475 -31.311 1.00 0.00 H new ATOM 841 N LYS B 42 25.907 4.550 -33.920 1.00 0.00 N ATOM 842 CA LYS B 42 25.383 4.169 -35.240 1.00 0.00 C ATOM 843 C LYS B 42 24.480 5.290 -35.844 1.00 0.00 C ATOM 844 O LYS B 42 24.456 5.519 -37.048 1.00 0.00 O ATOM 845 CB LYS B 42 24.679 2.837 -35.143 1.00 0.00 C ATOM 846 CG LYS B 42 25.578 1.635 -34.754 1.00 0.00 C ATOM 847 CD LYS B 42 24.852 0.328 -34.797 1.00 0.00 C ATOM 848 CE LYS B 42 24.898 -0.211 -36.174 1.00 0.00 C ATOM 849 NZ LYS B 42 24.569 -1.703 -36.058 1.00 0.00 N ATOM 0 H LYS B 42 25.544 4.018 -33.129 1.00 0.00 H new ATOM 0 HA LYS B 42 26.215 4.054 -35.935 1.00 0.00 H new ATOM 0 HB2 LYS B 42 23.878 2.922 -34.409 1.00 0.00 H new ATOM 0 HB3 LYS B 42 24.210 2.622 -36.103 1.00 0.00 H new ATOM 0 HG2 LYS B 42 26.432 1.593 -35.430 1.00 0.00 H new ATOM 0 HG3 LYS B 42 25.973 1.793 -33.750 1.00 0.00 H new ATOM 0 HD2 LYS B 42 25.308 -0.378 -34.102 1.00 0.00 H new ATOM 0 HD3 LYS B 42 23.818 0.463 -34.481 1.00 0.00 H new ATOM 0 HE2 LYS B 42 24.179 0.298 -36.816 1.00 0.00 H new ATOM 0 HE3 LYS B 42 25.882 -0.062 -36.618 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 24.587 -2.137 -37.003 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 25.273 -2.168 -35.450 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 23.623 -1.819 -35.642 1.00 0.00 H new ATOM 863 N LEU B 43 23.833 6.052 -34.982 1.00 0.00 N ATOM 864 CA LEU B 43 23.035 7.199 -35.319 1.00 0.00 C ATOM 865 C LEU B 43 23.878 8.457 -35.664 1.00 0.00 C ATOM 866 O LEU B 43 23.618 9.243 -36.604 1.00 0.00 O ATOM 867 CB LEU B 43 22.114 7.525 -34.144 1.00 0.00 C ATOM 868 CG LEU B 43 20.973 6.550 -33.838 1.00 0.00 C ATOM 869 CD1 LEU B 43 21.513 5.197 -33.459 1.00 0.00 C ATOM 870 CD2 LEU B 43 20.088 7.095 -32.710 1.00 0.00 C ATOM 0 H LEU B 43 23.856 5.872 -33.978 1.00 0.00 H new ATOM 0 HA LEU B 43 22.468 6.941 -36.213 1.00 0.00 H new ATOM 0 HB2 LEU B 43 22.730 7.610 -33.249 1.00 0.00 H new ATOM 0 HB3 LEU B 43 21.676 8.507 -34.324 1.00 0.00 H new ATOM 0 HG LEU B 43 20.370 6.443 -34.740 1.00 0.00 H new ATOM 0 HD11 LEU B 43 20.685 4.521 -33.246 1.00 0.00 H new ATOM 0 HD12 LEU B 43 22.105 4.798 -34.283 1.00 0.00 H new ATOM 0 HD13 LEU B 43 22.141 5.291 -32.573 1.00 0.00 H new ATOM 0 HD21 LEU B 43 19.283 6.389 -32.506 1.00 0.00 H new ATOM 0 HD22 LEU B 43 20.688 7.231 -31.810 1.00 0.00 H new ATOM 0 HD23 LEU B 43 19.664 8.053 -33.011 1.00 0.00 H new ATOM 882 N MET B 44 24.953 8.634 -34.883 1.00 0.00 N ATOM 883 CA MET B 44 25.848 9.796 -35.013 1.00 0.00 C ATOM 884 C MET B 44 26.918 9.741 -36.137 1.00 0.00 C ATOM 885 O MET B 44 27.255 10.750 -36.760 1.00 0.00 O ATOM 886 CB MET B 44 26.460 10.068 -33.672 1.00 0.00 C ATOM 887 CG MET B 44 25.481 10.458 -32.559 1.00 0.00 C ATOM 888 SD MET B 44 26.241 10.886 -31.004 1.00 0.00 S ATOM 889 CE MET B 44 27.345 9.418 -30.683 1.00 0.00 C ATOM 0 H MET B 44 25.227 7.982 -34.148 1.00 0.00 H new ATOM 0 HA MET B 44 25.219 10.622 -35.346 1.00 0.00 H new ATOM 0 HB2 MET B 44 27.005 9.179 -33.355 1.00 0.00 H new ATOM 0 HB3 MET B 44 27.192 10.868 -33.783 1.00 0.00 H new ATOM 0 HG2 MET B 44 24.885 11.304 -32.900 1.00 0.00 H new ATOM 0 HG3 MET B 44 24.793 9.629 -32.394 1.00 0.00 H new ATOM 0 HE1 MET B 44 27.794 9.510 -29.694 1.00 0.00 H new ATOM 0 HE2 MET B 44 26.756 8.502 -30.731 1.00 0.00 H new ATOM 0 HE3 MET B 44 28.132 9.383 -31.437 1.00 0.00 H new ATOM 899 N LYS B 45 27.361 8.527 -36.510 1.00 0.00 N ATOM 900 CA LYS B 45 28.048 8.284 -37.789 1.00 0.00 C ATOM 901 C LYS B 45 27.066 8.664 -38.904 1.00 0.00 C ATOM 902 O LYS B 45 27.458 9.398 -39.805 1.00 0.00 O ATOM 903 CB LYS B 45 28.740 6.892 -37.927 1.00 0.00 C ATOM 904 CG LYS B 45 29.787 6.626 -36.818 1.00 0.00 C ATOM 905 CD LYS B 45 30.166 5.171 -36.926 1.00 0.00 C ATOM 906 CE LYS B 45 31.362 4.797 -36.051 1.00 0.00 C ATOM 907 NZ LYS B 45 31.903 3.396 -36.313 1.00 0.00 N ATOM 0 H LYS B 45 27.253 7.691 -35.936 1.00 0.00 H new ATOM 0 HA LYS B 45 28.930 8.921 -37.860 1.00 0.00 H new ATOM 0 HB2 LYS B 45 27.981 6.110 -37.898 1.00 0.00 H new ATOM 0 HB3 LYS B 45 29.226 6.828 -38.901 1.00 0.00 H new ATOM 0 HG2 LYS B 45 30.660 7.265 -36.948 1.00 0.00 H new ATOM 0 HG3 LYS B 45 29.374 6.847 -35.834 1.00 0.00 H new ATOM 0 HD2 LYS B 45 29.311 4.557 -36.644 1.00 0.00 H new ATOM 0 HD3 LYS B 45 30.397 4.938 -37.965 1.00 0.00 H new ATOM 0 HE2 LYS B 45 32.160 5.521 -36.215 1.00 0.00 H new ATOM 0 HE3 LYS B 45 31.072 4.874 -35.003 1.00 0.00 H new ATOM 0 HZ1 LYS B 45 32.711 3.213 -35.685 1.00 0.00 H new ATOM 0 HZ2 LYS B 45 31.156 2.696 -36.130 1.00 0.00 H new ATOM 0 HZ3 LYS B 45 32.211 3.322 -37.304 1.00 0.00 H new ATOM 921 N ALA B 46 25.825 8.125 -38.921 1.00 0.00 N ATOM 922 CA ALA B 46 24.922 8.419 -40.134 1.00 0.00 C ATOM 923 C ALA B 46 24.535 9.899 -40.242 1.00 0.00 C ATOM 924 O ALA B 46 24.430 10.470 -41.321 1.00 0.00 O ATOM 925 CB ALA B 46 23.726 7.577 -40.093 1.00 0.00 C ATOM 0 H ALA B 46 25.422 7.532 -38.195 1.00 0.00 H new ATOM 0 HA ALA B 46 25.501 8.181 -41.026 1.00 0.00 H new ATOM 0 HB1 ALA B 46 23.097 7.796 -40.956 1.00 0.00 H new ATOM 0 HB2 ALA B 46 24.019 6.527 -40.114 1.00 0.00 H new ATOM 0 HB3 ALA B 46 23.169 7.780 -39.178 1.00 0.00 H new ATOM 931 N TYR B 47 24.392 10.624 -39.135 1.00 0.00 N ATOM 932 CA TYR B 47 24.147 12.052 -39.159 1.00 0.00 C ATOM 933 C TYR B 47 25.317 12.813 -39.850 1.00 0.00 C ATOM 934 O TYR B 47 25.108 13.490 -40.851 1.00 0.00 O ATOM 935 CB TYR B 47 23.911 12.563 -37.726 1.00 0.00 C ATOM 936 CG TYR B 47 23.681 14.033 -37.655 1.00 0.00 C ATOM 937 CD1 TYR B 47 22.432 14.554 -37.849 1.00 0.00 C ATOM 938 CD2 TYR B 47 24.837 14.882 -37.340 1.00 0.00 C ATOM 939 CE1 TYR B 47 22.288 15.943 -37.812 1.00 0.00 C ATOM 940 CE2 TYR B 47 24.633 16.233 -37.394 1.00 0.00 C ATOM 941 CZ TYR B 47 23.357 16.837 -37.598 1.00 0.00 C ATOM 942 OH TYR B 47 23.272 18.196 -37.709 1.00 0.00 O ATOM 0 H TYR B 47 24.444 10.230 -38.196 1.00 0.00 H new ATOM 0 HA TYR B 47 23.250 12.245 -39.748 1.00 0.00 H new ATOM 0 HB2 TYR B 47 23.050 12.047 -37.301 1.00 0.00 H new ATOM 0 HB3 TYR B 47 24.773 12.307 -37.110 1.00 0.00 H new ATOM 0 HD1 TYR B 47 21.582 13.911 -38.026 1.00 0.00 H new ATOM 0 HD2 TYR B 47 25.797 14.462 -37.080 1.00 0.00 H new ATOM 0 HE1 TYR B 47 21.300 16.356 -37.956 1.00 0.00 H new ATOM 0 HE2 TYR B 47 25.489 16.881 -37.275 1.00 0.00 H new ATOM 0 HH TYR B 47 22.640 18.427 -38.421 1.00 0.00 H new ATOM 952 N CYS B 48 26.527 12.465 -39.331 1.00 0.00 N ATOM 953 CA CYS B 48 27.776 13.128 -39.703 1.00 0.00 C ATOM 954 C CYS B 48 27.986 12.884 -41.211 1.00 0.00 C ATOM 955 O CYS B 48 28.194 13.850 -41.935 1.00 0.00 O ATOM 956 CB CYS B 48 28.933 12.597 -38.876 1.00 0.00 C ATOM 957 SG CYS B 48 30.301 13.721 -39.147 1.00 0.00 S ATOM 0 H CYS B 48 26.647 11.718 -38.647 1.00 0.00 H new ATOM 0 HA CYS B 48 27.727 14.199 -39.504 1.00 0.00 H new ATOM 0 HB2 CYS B 48 28.668 12.554 -37.819 1.00 0.00 H new ATOM 0 HB3 CYS B 48 29.196 11.584 -39.180 1.00 0.00 H new ATOM 0 HG CYS B 48 30.714 13.614 -40.375 1.00 0.00 H new ATOM 963 N GLU B 49 27.748 11.683 -41.770 1.00 0.00 N ATOM 964 CA GLU B 49 27.842 11.386 -43.170 1.00 0.00 C ATOM 965 C GLU B 49 26.878 12.153 -44.049 1.00 0.00 C ATOM 966 O GLU B 49 27.348 12.717 -45.043 1.00 0.00 O ATOM 967 CB GLU B 49 27.646 9.838 -43.509 1.00 0.00 C ATOM 968 CG GLU B 49 28.788 8.983 -43.015 1.00 0.00 C ATOM 969 CD GLU B 49 28.797 7.740 -43.827 1.00 0.00 C ATOM 970 OE1 GLU B 49 27.939 6.896 -43.665 1.00 0.00 O ATOM 971 OE2 GLU B 49 29.693 7.596 -44.719 1.00 0.00 O ATOM 0 H GLU B 49 27.474 10.873 -41.214 1.00 0.00 H new ATOM 0 HA GLU B 49 28.861 11.701 -43.396 1.00 0.00 H new ATOM 0 HB2 GLU B 49 26.716 9.488 -43.062 1.00 0.00 H new ATOM 0 HB3 GLU B 49 27.547 9.716 -44.588 1.00 0.00 H new ATOM 0 HG2 GLU B 49 29.735 9.513 -43.115 1.00 0.00 H new ATOM 0 HG3 GLU B 49 28.663 8.750 -41.958 1.00 0.00 H new ATOM 978 N ARG B 50 25.610 12.310 -43.734 1.00 0.00 N ATOM 979 CA ARG B 50 24.601 13.008 -44.593 1.00 0.00 C ATOM 980 C ARG B 50 24.916 14.488 -44.585 1.00 0.00 C ATOM 981 O ARG B 50 24.686 15.043 -45.668 1.00 0.00 O ATOM 982 CB ARG B 50 23.243 12.832 -43.960 1.00 0.00 C ATOM 983 CG ARG B 50 22.505 11.665 -44.579 1.00 0.00 C ATOM 984 CD ARG B 50 21.474 11.026 -43.710 1.00 0.00 C ATOM 985 NE ARG B 50 20.917 9.728 -44.168 1.00 0.00 N ATOM 986 CZ ARG B 50 19.728 9.439 -44.625 1.00 0.00 C ATOM 987 NH1 ARG B 50 18.850 10.364 -44.903 1.00 0.00 N ATOM 988 NH2 ARG B 50 19.325 8.230 -44.827 1.00 0.00 N ATOM 0 H ARG B 50 25.216 11.959 -42.861 1.00 0.00 H new ATOM 0 HA ARG B 50 24.620 12.607 -45.606 1.00 0.00 H new ATOM 0 HB2 ARG B 50 23.356 12.669 -42.888 1.00 0.00 H new ATOM 0 HB3 ARG B 50 22.659 13.744 -44.084 1.00 0.00 H new ATOM 0 HG2 ARG B 50 22.023 12.007 -45.495 1.00 0.00 H new ATOM 0 HG3 ARG B 50 23.234 10.907 -44.866 1.00 0.00 H new ATOM 0 HD2 ARG B 50 21.909 10.878 -42.721 1.00 0.00 H new ATOM 0 HD3 ARG B 50 20.648 11.727 -43.593 1.00 0.00 H new ATOM 0 HE ARG B 50 21.563 8.940 -44.118 1.00 0.00 H new ATOM 0 HH11 ARG B 50 19.084 11.347 -44.765 1.00 0.00 H new ATOM 0 HH12 ARG B 50 17.930 10.104 -45.259 1.00 0.00 H new ATOM 0 HH21 ARG B 50 19.946 7.446 -44.628 1.00 0.00 H new ATOM 0 HH22 ARG B 50 18.386 8.059 -45.186 1.00 0.00 H new ATOM 1002 N GLN B 51 25.500 14.992 -43.453 1.00 0.00 N ATOM 1003 CA GLN B 51 26.074 16.387 -43.467 1.00 0.00 C ATOM 1004 C GLN B 51 27.379 16.478 -44.256 1.00 0.00 C ATOM 1005 O GLN B 51 27.580 17.573 -44.767 1.00 0.00 O ATOM 1006 CB GLN B 51 26.157 17.028 -42.034 1.00 0.00 C ATOM 1007 CG GLN B 51 24.954 16.854 -41.070 1.00 0.00 C ATOM 1008 CD GLN B 51 23.540 16.899 -41.620 1.00 0.00 C ATOM 1009 OE1 GLN B 51 23.196 17.802 -42.377 1.00 0.00 O ATOM 1010 NE2 GLN B 51 22.714 15.908 -41.381 1.00 0.00 N ATOM 0 H GLN B 51 25.586 14.493 -42.568 1.00 0.00 H new ATOM 0 HA GLN B 51 25.362 17.005 -44.014 1.00 0.00 H new ATOM 0 HB2 GLN B 51 27.039 16.620 -41.540 1.00 0.00 H new ATOM 0 HB3 GLN B 51 26.328 18.097 -42.159 1.00 0.00 H new ATOM 0 HG2 GLN B 51 25.077 15.896 -40.565 1.00 0.00 H new ATOM 0 HG3 GLN B 51 25.032 17.629 -40.308 1.00 0.00 H new ATOM 0 HE21 GLN B 51 22.991 15.153 -40.753 1.00 0.00 H new ATOM 0 HE22 GLN B 51 21.795 15.892 -41.823 1.00 0.00 H new ATOM 1019 N GLY B 52 28.147 15.437 -44.556 1.00 0.00 N ATOM 1020 CA GLY B 52 29.400 15.496 -45.302 1.00 0.00 C ATOM 1021 C GLY B 52 30.627 15.720 -44.504 1.00 0.00 C ATOM 1022 O GLY B 52 31.668 15.841 -45.117 1.00 0.00 O ATOM 0 H GLY B 52 27.904 14.487 -44.274 1.00 0.00 H new ATOM 0 HA2 GLY B 52 29.515 14.562 -45.852 1.00 0.00 H new ATOM 0 HA3 GLY B 52 29.322 16.294 -46.041 1.00 0.00 H new ATOM 1026 N LEU B 53 30.472 15.990 -43.174 1.00 0.00 N ATOM 1027 CA LEU B 53 31.603 16.371 -42.350 1.00 0.00 C ATOM 1028 C LEU B 53 32.438 15.191 -41.876 1.00 0.00 C ATOM 1029 O LEU B 53 31.912 14.079 -41.961 1.00 0.00 O ATOM 1030 CB LEU B 53 31.104 17.002 -41.084 1.00 0.00 C ATOM 1031 CG LEU B 53 30.063 18.154 -41.216 1.00 0.00 C ATOM 1032 CD1 LEU B 53 29.930 18.825 -39.847 1.00 0.00 C ATOM 1033 CD2 LEU B 53 30.428 19.219 -42.251 1.00 0.00 C ATOM 0 H LEU B 53 29.581 15.945 -42.680 1.00 0.00 H new ATOM 0 HA LEU B 53 32.204 17.030 -42.977 1.00 0.00 H new ATOM 0 HB2 LEU B 53 30.662 16.218 -40.469 1.00 0.00 H new ATOM 0 HB3 LEU B 53 31.965 17.388 -40.538 1.00 0.00 H new ATOM 0 HG LEU B 53 29.131 17.704 -41.560 1.00 0.00 H new ATOM 0 HD11 LEU B 53 29.206 19.638 -39.909 1.00 0.00 H new ATOM 0 HD12 LEU B 53 29.592 18.093 -39.114 1.00 0.00 H new ATOM 0 HD13 LEU B 53 30.897 19.224 -39.542 1.00 0.00 H new ATOM 0 HD21 LEU B 53 29.650 19.982 -42.278 1.00 0.00 H new ATOM 0 HD22 LEU B 53 31.378 19.679 -41.980 1.00 0.00 H new ATOM 0 HD23 LEU B 53 30.516 18.756 -43.234 1.00 0.00 H new ATOM 1045 N SER B 54 33.664 15.392 -41.393 1.00 0.00 N ATOM 1046 CA SER B 54 34.471 14.449 -40.580 1.00 0.00 C ATOM 1047 C SER B 54 34.047 14.346 -39.139 1.00 0.00 C ATOM 1048 O SER B 54 33.977 15.379 -38.469 1.00 0.00 O ATOM 1049 CB SER B 54 35.967 14.902 -40.603 1.00 0.00 C ATOM 1050 OG SER B 54 36.762 13.984 -39.881 1.00 0.00 O ATOM 0 H SER B 54 34.161 16.267 -41.563 1.00 0.00 H new ATOM 0 HA SER B 54 34.321 13.468 -41.031 1.00 0.00 H new ATOM 0 HB2 SER B 54 36.319 14.969 -41.632 1.00 0.00 H new ATOM 0 HB3 SER B 54 36.061 15.897 -40.168 1.00 0.00 H new ATOM 0 HG SER B 54 37.710 14.182 -40.033 1.00 0.00 H new ATOM 1056 N MET B 55 33.695 13.187 -38.638 1.00 0.00 N ATOM 1057 CA MET B 55 33.304 12.992 -37.231 1.00 0.00 C ATOM 1058 C MET B 55 34.274 13.591 -36.196 1.00 0.00 C ATOM 1059 O MET B 55 33.844 13.926 -35.077 1.00 0.00 O ATOM 1060 CB MET B 55 33.050 11.398 -36.999 1.00 0.00 C ATOM 1061 CG MET B 55 32.639 11.083 -35.642 1.00 0.00 C ATOM 1062 SD MET B 55 32.017 9.402 -35.595 1.00 0.00 S ATOM 1063 CE MET B 55 31.359 9.412 -34.010 1.00 0.00 C ATOM 0 H MET B 55 33.666 12.330 -39.190 1.00 0.00 H new ATOM 0 HA MET B 55 32.388 13.557 -37.057 1.00 0.00 H new ATOM 0 HB2 MET B 55 32.285 11.052 -37.694 1.00 0.00 H new ATOM 0 HB3 MET B 55 33.964 10.852 -37.233 1.00 0.00 H new ATOM 0 HG2 MET B 55 33.481 11.192 -34.959 1.00 0.00 H new ATOM 0 HG3 MET B 55 31.868 11.779 -35.311 1.00 0.00 H new ATOM 0 HE1 MET B 55 30.919 8.439 -33.792 1.00 0.00 H new ATOM 0 HE2 MET B 55 32.149 9.623 -33.289 1.00 0.00 H new ATOM 0 HE3 MET B 55 30.590 10.181 -33.940 1.00 0.00 H new ATOM 1073 N ARG B 56 35.464 13.785 -36.612 1.00 0.00 N ATOM 1074 CA ARG B 56 36.538 14.440 -35.889 1.00 0.00 C ATOM 1075 C ARG B 56 36.235 15.958 -35.573 1.00 0.00 C ATOM 1076 O ARG B 56 36.613 16.364 -34.464 1.00 0.00 O ATOM 1077 CB ARG B 56 37.905 14.226 -36.585 1.00 0.00 C ATOM 1078 CG ARG B 56 39.114 14.458 -35.678 1.00 0.00 C ATOM 1079 CD ARG B 56 40.399 14.746 -36.595 1.00 0.00 C ATOM 1080 NE ARG B 56 40.803 13.653 -37.406 1.00 0.00 N ATOM 1081 CZ ARG B 56 40.686 13.558 -38.711 1.00 0.00 C ATOM 1082 NH1 ARG B 56 40.152 14.515 -39.409 1.00 0.00 N ATOM 1083 NH2 ARG B 56 41.124 12.533 -39.365 1.00 0.00 N ATOM 0 H ARG B 56 35.760 13.474 -37.537 1.00 0.00 H new ATOM 0 HA ARG B 56 36.602 13.956 -34.914 1.00 0.00 H new ATOM 0 HB2 ARG B 56 37.947 13.209 -36.974 1.00 0.00 H new ATOM 0 HB3 ARG B 56 37.973 14.897 -37.441 1.00 0.00 H new ATOM 0 HG2 ARG B 56 38.930 15.300 -35.011 1.00 0.00 H new ATOM 0 HG3 ARG B 56 39.287 13.585 -35.049 1.00 0.00 H new ATOM 0 HD2 ARG B 56 40.186 15.600 -37.238 1.00 0.00 H new ATOM 0 HD3 ARG B 56 41.231 15.031 -35.952 1.00 0.00 H new ATOM 0 HE ARG B 56 41.228 12.860 -36.926 1.00 0.00 H new ATOM 0 HH11 ARG B 56 39.815 15.358 -38.944 1.00 0.00 H new ATOM 0 HH12 ARG B 56 40.070 14.423 -40.422 1.00 0.00 H new ATOM 0 HH21 ARG B 56 41.577 11.766 -38.868 1.00 0.00 H new ATOM 0 HH22 ARG B 56 41.017 12.491 -40.378 1.00 0.00 H new ATOM 1097 N GLN B 57 35.642 16.662 -36.517 1.00 0.00 N ATOM 1098 CA GLN B 57 35.421 18.101 -36.476 1.00 0.00 C ATOM 1099 C GLN B 57 34.219 18.534 -35.543 1.00 0.00 C ATOM 1100 O GLN B 57 33.864 19.702 -35.461 1.00 0.00 O ATOM 1101 CB GLN B 57 35.339 18.695 -37.878 1.00 0.00 C ATOM 1102 CG GLN B 57 34.032 18.742 -38.727 1.00 0.00 C ATOM 1103 CD GLN B 57 34.467 19.155 -40.078 1.00 0.00 C ATOM 1104 OE1 GLN B 57 34.533 18.337 -40.994 1.00 0.00 O ATOM 1105 NE2 GLN B 57 34.707 20.428 -40.376 1.00 0.00 N ATOM 0 H GLN B 57 35.285 16.233 -37.370 1.00 0.00 H new ATOM 0 HA GLN B 57 36.301 18.533 -36.000 1.00 0.00 H new ATOM 0 HB2 GLN B 57 35.685 19.725 -37.793 1.00 0.00 H new ATOM 0 HB3 GLN B 57 36.074 18.160 -38.479 1.00 0.00 H new ATOM 0 HG2 GLN B 57 33.542 17.769 -38.751 1.00 0.00 H new ATOM 0 HG3 GLN B 57 33.316 19.450 -38.310 1.00 0.00 H new ATOM 0 HE21 GLN B 57 34.663 21.140 -39.647 1.00 0.00 H new ATOM 0 HE22 GLN B 57 34.935 20.693 -41.334 1.00 0.00 H new ATOM 1114 N ILE B 58 33.598 17.603 -34.941 1.00 0.00 N ATOM 1115 CA ILE B 58 32.319 17.723 -34.145 1.00 0.00 C ATOM 1116 C ILE B 58 32.330 17.094 -32.754 1.00 0.00 C ATOM 1117 O ILE B 58 33.056 16.168 -32.521 1.00 0.00 O ATOM 1118 CB ILE B 58 31.112 17.200 -34.936 1.00 0.00 C ATOM 1119 CG1 ILE B 58 31.012 15.676 -35.227 1.00 0.00 C ATOM 1120 CG2 ILE B 58 30.971 17.930 -36.267 1.00 0.00 C ATOM 1121 CD1 ILE B 58 29.620 15.231 -35.761 1.00 0.00 C ATOM 0 H ILE B 58 33.945 16.644 -34.955 1.00 0.00 H new ATOM 0 HA ILE B 58 32.232 18.796 -33.976 1.00 0.00 H new ATOM 0 HB ILE B 58 30.303 17.407 -34.236 1.00 0.00 H new ATOM 0 HG12 ILE B 58 31.775 15.404 -35.956 1.00 0.00 H new ATOM 0 HG13 ILE B 58 31.234 15.125 -34.313 1.00 0.00 H new ATOM 0 HG21 ILE B 58 30.108 17.540 -36.807 1.00 0.00 H new ATOM 0 HG22 ILE B 58 30.833 18.996 -36.085 1.00 0.00 H new ATOM 0 HG23 ILE B 58 31.871 17.777 -36.863 1.00 0.00 H new ATOM 0 HD11 ILE B 58 29.626 14.156 -35.941 1.00 0.00 H new ATOM 0 HD12 ILE B 58 28.854 15.471 -35.024 1.00 0.00 H new ATOM 0 HD13 ILE B 58 29.404 15.754 -36.693 1.00 0.00 H new ATOM 1133 N ARG B 59 31.642 17.719 -31.794 1.00 0.00 N ATOM 1134 CA ARG B 59 31.345 17.276 -30.425 1.00 0.00 C ATOM 1135 C ARG B 59 29.871 16.940 -30.421 1.00 0.00 C ATOM 1136 O ARG B 59 28.999 17.314 -31.264 1.00 0.00 O ATOM 1137 CB ARG B 59 31.798 18.263 -29.391 1.00 0.00 C ATOM 1138 CG ARG B 59 33.330 18.463 -29.406 1.00 0.00 C ATOM 1139 CD ARG B 59 34.297 17.296 -29.171 1.00 0.00 C ATOM 1140 NE ARG B 59 35.745 17.783 -29.303 1.00 0.00 N ATOM 1141 CZ ARG B 59 36.497 17.637 -30.407 1.00 0.00 C ATOM 1142 NH1 ARG B 59 36.039 17.142 -31.533 1.00 0.00 N ATOM 1143 NH2 ARG B 59 37.589 18.264 -30.476 1.00 0.00 N ATOM 0 H ARG B 59 31.239 18.639 -31.972 1.00 0.00 H new ATOM 0 HA ARG B 59 31.911 16.390 -30.137 1.00 0.00 H new ATOM 0 HB2 ARG B 59 31.307 19.220 -29.565 1.00 0.00 H new ATOM 0 HB3 ARG B 59 31.488 17.920 -28.404 1.00 0.00 H new ATOM 0 HG2 ARG B 59 33.583 18.893 -30.375 1.00 0.00 H new ATOM 0 HG3 ARG B 59 33.557 19.218 -28.654 1.00 0.00 H new ATOM 0 HD2 ARG B 59 34.136 16.873 -28.180 1.00 0.00 H new ATOM 0 HD3 ARG B 59 34.104 16.502 -29.892 1.00 0.00 H new ATOM 0 HE ARG B 59 36.166 18.249 -28.499 1.00 0.00 H new ATOM 0 HH11 ARG B 59 35.066 16.845 -31.601 1.00 0.00 H new ATOM 0 HH12 ARG B 59 36.656 17.054 -32.340 1.00 0.00 H new ATOM 0 HH21 ARG B 59 37.882 18.864 -29.705 1.00 0.00 H new ATOM 0 HH22 ARG B 59 38.179 18.171 -31.303 1.00 0.00 H new ATOM 1157 N PHE B 60 29.493 16.106 -29.432 1.00 0.00 N ATOM 1158 CA PHE B 60 28.086 15.624 -29.165 1.00 0.00 C ATOM 1159 C PHE B 60 27.736 15.603 -27.679 1.00 0.00 C ATOM 1160 O PHE B 60 28.632 15.404 -26.815 1.00 0.00 O ATOM 1161 CB PHE B 60 27.836 14.218 -29.619 1.00 0.00 C ATOM 1162 CG PHE B 60 28.130 13.864 -31.112 1.00 0.00 C ATOM 1163 CD1 PHE B 60 27.179 14.118 -32.060 1.00 0.00 C ATOM 1164 CD2 PHE B 60 29.304 13.143 -31.390 1.00 0.00 C ATOM 1165 CE1 PHE B 60 27.336 13.656 -33.382 1.00 0.00 C ATOM 1166 CE2 PHE B 60 29.521 12.713 -32.738 1.00 0.00 C ATOM 1167 CZ PHE B 60 28.526 12.992 -33.711 1.00 0.00 C ATOM 0 H PHE B 60 30.165 15.726 -28.765 1.00 0.00 H new ATOM 0 HA PHE B 60 27.481 16.339 -29.723 1.00 0.00 H new ATOM 0 HB2 PHE B 60 28.435 13.555 -28.995 1.00 0.00 H new ATOM 0 HB3 PHE B 60 26.790 13.984 -29.421 1.00 0.00 H new ATOM 0 HD1 PHE B 60 26.296 14.680 -31.793 1.00 0.00 H new ATOM 0 HD2 PHE B 60 30.019 12.921 -30.612 1.00 0.00 H new ATOM 0 HE1 PHE B 60 26.562 13.809 -34.120 1.00 0.00 H new ATOM 0 HE2 PHE B 60 30.424 12.187 -33.009 1.00 0.00 H new ATOM 0 HZ PHE B 60 28.690 12.684 -34.733 1.00 0.00 H new ATOM 1177 N ARG B 61 26.499 15.918 -27.332 1.00 0.00 N ATOM 1178 CA ARG B 61 26.005 16.061 -25.930 1.00 0.00 C ATOM 1179 C ARG B 61 24.621 15.551 -25.687 1.00 0.00 C ATOM 1180 O ARG B 61 23.733 15.679 -26.605 1.00 0.00 O ATOM 1181 CB ARG B 61 25.956 17.579 -25.614 1.00 0.00 C ATOM 1182 CG ARG B 61 27.304 18.211 -25.571 1.00 0.00 C ATOM 1183 CD ARG B 61 27.211 19.674 -25.145 1.00 0.00 C ATOM 1184 NE ARG B 61 28.419 20.431 -25.615 1.00 0.00 N ATOM 1185 CZ ARG B 61 28.493 21.663 -26.006 1.00 0.00 C ATOM 1186 NH1 ARG B 61 27.535 22.524 -26.001 1.00 0.00 N ATOM 1187 NH2 ARG B 61 29.673 22.007 -26.476 1.00 0.00 N ATOM 0 H ARG B 61 25.770 16.091 -28.025 1.00 0.00 H new ATOM 0 HA ARG B 61 26.683 15.475 -25.310 1.00 0.00 H new ATOM 0 HB2 ARG B 61 25.350 18.081 -26.368 1.00 0.00 H new ATOM 0 HB3 ARG B 61 25.461 17.728 -24.655 1.00 0.00 H new ATOM 0 HG2 ARG B 61 27.943 17.666 -24.876 1.00 0.00 H new ATOM 0 HG3 ARG B 61 27.772 18.144 -26.553 1.00 0.00 H new ATOM 0 HD2 ARG B 61 26.308 20.124 -25.558 1.00 0.00 H new ATOM 0 HD3 ARG B 61 27.132 19.740 -24.060 1.00 0.00 H new ATOM 0 HE ARG B 61 29.294 19.907 -25.628 1.00 0.00 H new ATOM 0 HH11 ARG B 61 26.610 22.256 -25.665 1.00 0.00 H new ATOM 0 HH12 ARG B 61 27.701 23.474 -26.333 1.00 0.00 H new ATOM 0 HH21 ARG B 61 30.429 21.323 -26.507 1.00 0.00 H new ATOM 0 HH22 ARG B 61 29.832 22.958 -26.809 1.00 0.00 H new ATOM 1201 N PHE B 62 24.367 15.086 -24.491 1.00 0.00 N ATOM 1202 CA PHE B 62 22.998 14.827 -24.018 1.00 0.00 C ATOM 1203 C PHE B 62 22.857 15.135 -22.523 1.00 0.00 C ATOM 1204 O PHE B 62 23.741 14.806 -21.764 1.00 0.00 O ATOM 1205 CB PHE B 62 22.434 13.490 -24.488 1.00 0.00 C ATOM 1206 CG PHE B 62 21.171 12.953 -23.695 1.00 0.00 C ATOM 1207 CD1 PHE B 62 21.323 12.215 -22.512 1.00 0.00 C ATOM 1208 CD2 PHE B 62 19.893 13.245 -24.143 1.00 0.00 C ATOM 1209 CE1 PHE B 62 20.206 11.689 -21.799 1.00 0.00 C ATOM 1210 CE2 PHE B 62 18.784 12.742 -23.361 1.00 0.00 C ATOM 1211 CZ PHE B 62 18.954 11.848 -22.269 1.00 0.00 C ATOM 0 H PHE B 62 25.091 14.871 -23.805 1.00 0.00 H new ATOM 0 HA PHE B 62 22.332 15.537 -24.509 1.00 0.00 H new ATOM 0 HB2 PHE B 62 22.166 13.581 -25.541 1.00 0.00 H new ATOM 0 HB3 PHE B 62 23.224 12.742 -24.424 1.00 0.00 H new ATOM 0 HD1 PHE B 62 22.318 12.040 -22.129 1.00 0.00 H new ATOM 0 HD2 PHE B 62 19.731 13.825 -25.040 1.00 0.00 H new ATOM 0 HE1 PHE B 62 20.366 11.158 -20.872 1.00 0.00 H new ATOM 0 HE2 PHE B 62 17.784 13.060 -23.618 1.00 0.00 H new ATOM 0 HZ PHE B 62 18.117 11.320 -21.836 1.00 0.00 H new ATOM 1221 N ASP B 63 21.686 15.648 -22.129 1.00 0.00 N ATOM 1222 CA ASP B 63 21.255 15.891 -20.704 1.00 0.00 C ATOM 1223 C ASP B 63 22.290 16.533 -19.721 1.00 0.00 C ATOM 1224 O ASP B 63 22.293 16.339 -18.540 1.00 0.00 O ATOM 1225 CB ASP B 63 20.401 14.744 -20.188 1.00 0.00 C ATOM 1226 CG ASP B 63 19.673 14.928 -18.869 1.00 0.00 C ATOM 1227 OD1 ASP B 63 19.088 16.073 -18.698 1.00 0.00 O ATOM 1228 OD2 ASP B 63 19.609 13.969 -18.110 1.00 0.00 O ATOM 0 H ASP B 63 20.970 15.923 -22.801 1.00 0.00 H new ATOM 0 HA ASP B 63 20.595 16.757 -20.743 1.00 0.00 H new ATOM 0 HB2 ASP B 63 19.656 14.515 -20.950 1.00 0.00 H new ATOM 0 HB3 ASP B 63 21.042 13.867 -20.095 1.00 0.00 H new ATOM 1233 N GLY B 64 23.239 17.304 -20.283 1.00 0.00 N ATOM 1234 CA GLY B 64 24.399 17.898 -19.700 1.00 0.00 C ATOM 1235 C GLY B 64 25.777 17.326 -19.872 1.00 0.00 C ATOM 1236 O GLY B 64 26.710 17.888 -19.260 1.00 0.00 O ATOM 0 H GLY B 64 23.179 17.537 -21.274 1.00 0.00 H new ATOM 0 HA2 GLY B 64 24.440 18.924 -20.066 1.00 0.00 H new ATOM 0 HA3 GLY B 64 24.216 17.950 -18.627 1.00 0.00 H new ATOM 1240 N GLN B 65 25.987 16.193 -20.589 1.00 0.00 N ATOM 1241 CA GLN B 65 27.257 15.463 -20.690 1.00 0.00 C ATOM 1242 C GLN B 65 27.551 15.033 -22.118 1.00 0.00 C ATOM 1243 O GLN B 65 26.638 14.957 -22.923 1.00 0.00 O ATOM 1244 CB GLN B 65 27.246 14.308 -19.684 1.00 0.00 C ATOM 1245 CG GLN B 65 27.203 14.775 -18.182 1.00 0.00 C ATOM 1246 CD GLN B 65 27.641 13.616 -17.187 1.00 0.00 C ATOM 1247 OE1 GLN B 65 28.819 13.287 -17.047 1.00 0.00 O ATOM 1248 NE2 GLN B 65 26.824 13.048 -16.290 1.00 0.00 N ATOM 0 H GLN B 65 25.242 15.754 -21.130 1.00 0.00 H new ATOM 0 HA GLN B 65 28.085 16.122 -20.429 1.00 0.00 H new ATOM 0 HB2 GLN B 65 26.382 13.674 -19.882 1.00 0.00 H new ATOM 0 HB3 GLN B 65 28.134 13.695 -19.839 1.00 0.00 H new ATOM 0 HG2 GLN B 65 27.861 15.634 -18.050 1.00 0.00 H new ATOM 0 HG3 GLN B 65 26.194 15.105 -17.933 1.00 0.00 H new ATOM 0 HE21 GLN B 65 25.824 13.249 -16.311 1.00 0.00 H new ATOM 0 HE22 GLN B 65 27.202 12.414 -15.586 1.00 0.00 H new ATOM 1257 N PRO B 66 28.790 14.537 -22.380 1.00 0.00 N ATOM 1258 CA PRO B 66 29.179 13.967 -23.667 1.00 0.00 C ATOM 1259 C PRO B 66 28.512 12.594 -23.881 1.00 0.00 C ATOM 1260 O PRO B 66 28.046 11.950 -22.937 1.00 0.00 O ATOM 1261 CB PRO B 66 30.706 13.985 -23.627 1.00 0.00 C ATOM 1262 CG PRO B 66 31.025 14.907 -22.442 1.00 0.00 C ATOM 1263 CD PRO B 66 29.967 14.543 -21.506 1.00 0.00 C ATOM 0 HA PRO B 66 28.838 14.522 -24.541 1.00 0.00 H new ATOM 0 HB2 PRO B 66 31.115 12.986 -23.479 1.00 0.00 H new ATOM 0 HB3 PRO B 66 31.127 14.367 -24.557 1.00 0.00 H new ATOM 0 HG2 PRO B 66 32.018 14.722 -22.033 1.00 0.00 H new ATOM 0 HG3 PRO B 66 30.985 15.961 -22.718 1.00 0.00 H new ATOM 0 HD2 PRO B 66 30.142 13.570 -21.048 1.00 0.00 H new ATOM 0 HD3 PRO B 66 29.871 15.265 -20.695 1.00 0.00 H new ATOM 1271 N ILE B 67 28.456 12.157 -25.139 1.00 0.00 N ATOM 1272 CA ILE B 67 28.221 10.797 -25.586 1.00 0.00 C ATOM 1273 C ILE B 67 29.496 10.138 -26.053 1.00 0.00 C ATOM 1274 O ILE B 67 30.312 10.726 -26.798 1.00 0.00 O ATOM 1275 CB ILE B 67 27.079 10.819 -26.603 1.00 0.00 C ATOM 1276 CG1 ILE B 67 25.803 11.632 -26.121 1.00 0.00 C ATOM 1277 CG2 ILE B 67 26.713 9.353 -27.062 1.00 0.00 C ATOM 1278 CD1 ILE B 67 24.520 11.304 -26.836 1.00 0.00 C ATOM 0 H ILE B 67 28.584 12.796 -25.924 1.00 0.00 H new ATOM 0 HA ILE B 67 27.899 10.160 -24.762 1.00 0.00 H new ATOM 0 HB ILE B 67 27.448 11.369 -27.469 1.00 0.00 H new ATOM 0 HG12 ILE B 67 25.661 11.453 -25.055 1.00 0.00 H new ATOM 0 HG13 ILE B 67 26.005 12.696 -26.242 1.00 0.00 H new ATOM 0 HG21 ILE B 67 25.898 9.391 -27.785 1.00 0.00 H new ATOM 0 HG22 ILE B 67 27.585 8.887 -27.521 1.00 0.00 H new ATOM 0 HG23 ILE B 67 26.403 8.768 -26.197 1.00 0.00 H new ATOM 0 HD11 ILE B 67 23.712 11.914 -26.432 1.00 0.00 H new ATOM 0 HD12 ILE B 67 24.633 11.511 -27.900 1.00 0.00 H new ATOM 0 HD13 ILE B 67 24.284 10.249 -26.695 1.00 0.00 H new ATOM 1290 N ASN B 68 29.737 8.911 -25.594 1.00 0.00 N ATOM 1291 CA ASN B 68 30.859 8.007 -26.117 1.00 0.00 C ATOM 1292 C ASN B 68 30.358 7.009 -27.189 1.00 0.00 C ATOM 1293 O ASN B 68 29.223 6.549 -27.137 1.00 0.00 O ATOM 1294 CB ASN B 68 31.607 7.336 -24.960 1.00 0.00 C ATOM 1295 CG ASN B 68 31.932 8.192 -23.801 1.00 0.00 C ATOM 1296 OD1 ASN B 68 32.826 9.006 -23.919 1.00 0.00 O ATOM 1297 ND2 ASN B 68 31.034 8.189 -22.829 1.00 0.00 N ATOM 0 H ASN B 68 29.185 8.481 -24.852 1.00 0.00 H new ATOM 0 HA ASN B 68 31.584 8.637 -26.633 1.00 0.00 H new ATOM 0 HB2 ASN B 68 31.007 6.497 -24.607 1.00 0.00 H new ATOM 0 HB3 ASN B 68 32.537 6.922 -25.350 1.00 0.00 H new ATOM 0 HD21 ASN B 68 31.062 8.908 -22.106 1.00 0.00 H new ATOM 0 HD22 ASN B 68 30.313 7.467 -22.803 1.00 0.00 H new ATOM 1304 N GLU B 69 31.235 6.462 -28.071 1.00 0.00 N ATOM 1305 CA GLU B 69 30.986 5.530 -29.215 1.00 0.00 C ATOM 1306 C GLU B 69 30.202 4.226 -28.837 1.00 0.00 C ATOM 1307 O GLU B 69 29.786 3.456 -29.728 1.00 0.00 O ATOM 1308 CB GLU B 69 32.378 5.351 -29.826 1.00 0.00 C ATOM 1309 CG GLU B 69 32.320 4.532 -31.168 1.00 0.00 C ATOM 1310 CD GLU B 69 33.604 4.635 -31.982 1.00 0.00 C ATOM 1311 OE1 GLU B 69 34.015 5.753 -32.351 1.00 0.00 O ATOM 1312 OE2 GLU B 69 34.230 3.630 -32.317 1.00 0.00 O ATOM 0 H GLU B 69 32.229 6.679 -27.997 1.00 0.00 H new ATOM 0 HA GLU B 69 30.287 5.926 -29.952 1.00 0.00 H new ATOM 0 HB2 GLU B 69 32.822 6.329 -30.014 1.00 0.00 H new ATOM 0 HB3 GLU B 69 33.025 4.839 -29.114 1.00 0.00 H new ATOM 0 HG2 GLU B 69 32.123 3.484 -30.940 1.00 0.00 H new ATOM 0 HG3 GLU B 69 31.485 4.889 -31.770 1.00 0.00 H new ATOM 1319 N THR B 70 29.909 4.019 -27.570 1.00 0.00 N ATOM 1320 CA THR B 70 29.326 2.841 -26.878 1.00 0.00 C ATOM 1321 C THR B 70 28.142 3.205 -25.961 1.00 0.00 C ATOM 1322 O THR B 70 27.490 2.306 -25.402 1.00 0.00 O ATOM 1323 CB THR B 70 30.471 2.032 -26.140 1.00 0.00 C ATOM 1324 OG1 THR B 70 31.170 2.885 -25.305 1.00 0.00 O ATOM 1325 CG2 THR B 70 31.425 1.325 -27.118 1.00 0.00 C ATOM 0 H THR B 70 30.091 4.761 -26.894 1.00 0.00 H new ATOM 0 HA THR B 70 28.887 2.185 -27.630 1.00 0.00 H new ATOM 0 HB THR B 70 29.996 1.245 -25.553 1.00 0.00 H new ATOM 0 HG1 THR B 70 31.878 2.386 -24.846 1.00 0.00 H new ATOM 0 HG21 THR B 70 32.189 0.787 -26.556 1.00 0.00 H new ATOM 0 HG22 THR B 70 30.862 0.621 -27.731 1.00 0.00 H new ATOM 0 HG23 THR B 70 31.901 2.065 -27.761 1.00 0.00 H new ATOM 1333 N ASP B 71 27.829 4.457 -25.679 1.00 0.00 N ATOM 1334 CA ASP B 71 26.650 4.737 -24.837 1.00 0.00 C ATOM 1335 C ASP B 71 25.328 4.289 -25.465 1.00 0.00 C ATOM 1336 O ASP B 71 25.131 4.469 -26.649 1.00 0.00 O ATOM 1337 CB ASP B 71 26.494 6.205 -24.406 1.00 0.00 C ATOM 1338 CG ASP B 71 27.667 6.622 -23.475 1.00 0.00 C ATOM 1339 OD1 ASP B 71 28.065 5.828 -22.634 1.00 0.00 O ATOM 1340 OD2 ASP B 71 28.157 7.769 -23.580 1.00 0.00 O ATOM 0 H ASP B 71 28.344 5.277 -26.000 1.00 0.00 H new ATOM 0 HA ASP B 71 26.860 4.139 -23.950 1.00 0.00 H new ATOM 0 HB2 ASP B 71 26.472 6.849 -25.285 1.00 0.00 H new ATOM 0 HB3 ASP B 71 25.544 6.340 -23.888 1.00 0.00 H new ATOM 1345 N THR B 72 24.397 3.815 -24.643 1.00 0.00 N ATOM 1346 CA THR B 72 23.122 3.232 -25.099 1.00 0.00 C ATOM 1347 C THR B 72 21.935 3.958 -24.418 1.00 0.00 C ATOM 1348 O THR B 72 22.113 4.800 -23.500 1.00 0.00 O ATOM 1349 CB THR B 72 23.036 1.717 -24.758 1.00 0.00 C ATOM 1350 OG1 THR B 72 22.775 1.508 -23.397 1.00 0.00 O ATOM 1351 CG2 THR B 72 24.245 0.873 -25.194 1.00 0.00 C ATOM 0 H THR B 72 24.500 3.821 -23.628 1.00 0.00 H new ATOM 0 HA THR B 72 23.074 3.355 -26.181 1.00 0.00 H new ATOM 0 HB THR B 72 22.197 1.364 -25.357 1.00 0.00 H new ATOM 0 HG1 THR B 72 22.883 0.557 -23.185 1.00 0.00 H new ATOM 0 HG21 THR B 72 24.084 -0.167 -24.909 1.00 0.00 H new ATOM 0 HG22 THR B 72 24.364 0.939 -26.275 1.00 0.00 H new ATOM 0 HG23 THR B 72 25.145 1.248 -24.707 1.00 0.00 H new ATOM 1359 N PRO B 73 20.684 3.904 -24.936 1.00 0.00 N ATOM 1360 CA PRO B 73 19.503 4.496 -24.208 1.00 0.00 C ATOM 1361 C PRO B 73 19.370 3.947 -22.751 1.00 0.00 C ATOM 1362 O PRO B 73 18.644 4.618 -22.007 1.00 0.00 O ATOM 1363 CB PRO B 73 18.309 4.136 -25.093 1.00 0.00 C ATOM 1364 CG PRO B 73 18.900 3.785 -26.452 1.00 0.00 C ATOM 1365 CD PRO B 73 20.365 3.455 -26.265 1.00 0.00 C ATOM 0 HA PRO B 73 19.594 5.573 -24.066 1.00 0.00 H new ATOM 0 HB2 PRO B 73 17.753 3.295 -24.678 1.00 0.00 H new ATOM 0 HB3 PRO B 73 17.613 4.971 -25.172 1.00 0.00 H new ATOM 0 HG2 PRO B 73 18.373 2.936 -26.887 1.00 0.00 H new ATOM 0 HG3 PRO B 73 18.785 4.620 -27.143 1.00 0.00 H new ATOM 0 HD2 PRO B 73 20.545 2.385 -26.374 1.00 0.00 H new ATOM 0 HD3 PRO B 73 20.981 3.959 -27.010 1.00 0.00 H new ATOM 1373 N ALA B 74 19.854 2.749 -22.405 1.00 0.00 N ATOM 1374 CA ALA B 74 20.064 2.233 -20.984 1.00 0.00 C ATOM 1375 C ALA B 74 21.148 3.116 -20.333 1.00 0.00 C ATOM 1376 O ALA B 74 20.896 3.654 -19.238 1.00 0.00 O ATOM 1377 CB ALA B 74 20.530 0.749 -21.007 1.00 0.00 C ATOM 0 H ALA B 74 20.130 2.063 -23.108 1.00 0.00 H new ATOM 0 HA ALA B 74 19.132 2.280 -20.420 1.00 0.00 H new ATOM 0 HB1 ALA B 74 20.675 0.397 -19.986 1.00 0.00 H new ATOM 0 HB2 ALA B 74 19.773 0.137 -21.497 1.00 0.00 H new ATOM 0 HB3 ALA B 74 21.469 0.671 -21.554 1.00 0.00 H new ATOM 1383 N GLN B 75 22.357 3.237 -20.877 1.00 0.00 N ATOM 1384 CA GLN B 75 23.498 3.884 -20.243 1.00 0.00 C ATOM 1385 C GLN B 75 23.262 5.316 -19.850 1.00 0.00 C ATOM 1386 O GLN B 75 23.554 5.706 -18.704 1.00 0.00 O ATOM 1387 CB GLN B 75 24.665 3.702 -21.249 1.00 0.00 C ATOM 1388 CG GLN B 75 25.985 4.308 -20.677 1.00 0.00 C ATOM 1389 CD GLN B 75 26.497 3.516 -19.551 1.00 0.00 C ATOM 1390 OE1 GLN B 75 26.468 2.325 -19.525 1.00 0.00 O ATOM 1391 NE2 GLN B 75 26.820 4.233 -18.476 1.00 0.00 N ATOM 0 H GLN B 75 22.574 2.873 -21.805 1.00 0.00 H new ATOM 0 HA GLN B 75 23.718 3.426 -19.279 1.00 0.00 H new ATOM 0 HB2 GLN B 75 24.807 2.642 -21.461 1.00 0.00 H new ATOM 0 HB3 GLN B 75 24.416 4.185 -22.194 1.00 0.00 H new ATOM 0 HG2 GLN B 75 26.738 4.352 -21.464 1.00 0.00 H new ATOM 0 HG3 GLN B 75 25.805 5.332 -20.351 1.00 0.00 H new ATOM 0 HE21 GLN B 75 26.836 5.252 -18.528 1.00 0.00 H new ATOM 0 HE22 GLN B 75 27.051 3.764 -17.600 1.00 0.00 H new ATOM 1400 N LEU B 76 22.614 6.088 -20.783 1.00 0.00 N ATOM 1401 CA LEU B 76 22.253 7.481 -20.534 1.00 0.00 C ATOM 1402 C LEU B 76 20.966 7.670 -19.666 1.00 0.00 C ATOM 1403 O LEU B 76 20.677 8.796 -19.306 1.00 0.00 O ATOM 1404 CB LEU B 76 22.226 8.234 -21.862 1.00 0.00 C ATOM 1405 CG LEU B 76 23.527 8.158 -22.679 1.00 0.00 C ATOM 1406 CD1 LEU B 76 23.439 9.098 -23.895 1.00 0.00 C ATOM 1407 CD2 LEU B 76 24.798 8.633 -21.850 1.00 0.00 C ATOM 0 H LEU B 76 22.342 5.747 -21.705 1.00 0.00 H new ATOM 0 HA LEU B 76 23.024 7.923 -19.903 1.00 0.00 H new ATOM 0 HB2 LEU B 76 21.410 7.841 -22.469 1.00 0.00 H new ATOM 0 HB3 LEU B 76 22.000 9.282 -21.664 1.00 0.00 H new ATOM 0 HG LEU B 76 23.640 7.112 -22.965 1.00 0.00 H new ATOM 0 HD11 LEU B 76 24.364 9.039 -24.469 1.00 0.00 H new ATOM 0 HD12 LEU B 76 22.601 8.800 -24.525 1.00 0.00 H new ATOM 0 HD13 LEU B 76 23.289 10.122 -23.553 1.00 0.00 H new ATOM 0 HD21 LEU B 76 25.688 8.559 -22.475 1.00 0.00 H new ATOM 0 HD22 LEU B 76 24.661 9.667 -21.535 1.00 0.00 H new ATOM 0 HD23 LEU B 76 24.917 7.999 -20.972 1.00 0.00 H new ATOM 1419 N GLU B 77 20.220 6.606 -19.320 1.00 0.00 N ATOM 1420 CA GLU B 77 18.904 6.594 -18.664 1.00 0.00 C ATOM 1421 C GLU B 77 17.825 7.424 -19.419 1.00 0.00 C ATOM 1422 O GLU B 77 17.192 8.308 -18.828 1.00 0.00 O ATOM 1423 CB GLU B 77 19.053 6.830 -17.180 1.00 0.00 C ATOM 1424 CG GLU B 77 19.762 5.747 -16.365 1.00 0.00 C ATOM 1425 CD GLU B 77 18.909 4.485 -16.128 1.00 0.00 C ATOM 1426 OE1 GLU B 77 17.838 4.277 -16.766 1.00 0.00 O ATOM 1427 OE2 GLU B 77 19.290 3.603 -15.315 1.00 0.00 O ATOM 0 H GLU B 77 20.549 5.659 -19.507 1.00 0.00 H new ATOM 0 HA GLU B 77 18.474 5.595 -18.738 1.00 0.00 H new ATOM 0 HB2 GLU B 77 19.594 7.766 -17.040 1.00 0.00 H new ATOM 0 HB3 GLU B 77 18.057 6.971 -16.759 1.00 0.00 H new ATOM 0 HG2 GLU B 77 20.680 5.462 -16.879 1.00 0.00 H new ATOM 0 HG3 GLU B 77 20.053 6.164 -15.401 1.00 0.00 H new ATOM 1434 N MET B 78 17.665 7.169 -20.724 1.00 0.00 N ATOM 1435 CA MET B 78 16.806 7.908 -21.554 1.00 0.00 C ATOM 1436 C MET B 78 15.316 7.448 -21.566 1.00 0.00 C ATOM 1437 O MET B 78 15.032 6.273 -21.644 1.00 0.00 O ATOM 1438 CB MET B 78 17.307 7.922 -23.069 1.00 0.00 C ATOM 1439 CG MET B 78 18.841 7.952 -23.172 1.00 0.00 C ATOM 1440 SD MET B 78 19.512 8.240 -24.907 1.00 0.00 S ATOM 1441 CE MET B 78 19.594 10.012 -24.895 1.00 0.00 C ATOM 0 H MET B 78 18.157 6.418 -21.209 1.00 0.00 H new ATOM 0 HA MET B 78 16.843 8.901 -21.106 1.00 0.00 H new ATOM 0 HB2 MET B 78 16.927 7.040 -23.584 1.00 0.00 H new ATOM 0 HB3 MET B 78 16.893 8.792 -23.579 1.00 0.00 H new ATOM 0 HG2 MET B 78 19.220 8.736 -22.517 1.00 0.00 H new ATOM 0 HG3 MET B 78 19.235 7.007 -22.798 1.00 0.00 H new ATOM 0 HE1 MET B 78 19.767 10.375 -25.908 1.00 0.00 H new ATOM 0 HE2 MET B 78 18.654 10.417 -24.519 1.00 0.00 H new ATOM 0 HE3 MET B 78 20.412 10.334 -24.250 1.00 0.00 H new ATOM 1451 N GLU B 79 14.409 8.452 -21.376 1.00 0.00 N ATOM 1452 CA GLU B 79 12.994 8.466 -21.733 1.00 0.00 C ATOM 1453 C GLU B 79 12.772 8.727 -23.222 1.00 0.00 C ATOM 1454 O GLU B 79 13.646 9.192 -23.978 1.00 0.00 O ATOM 1455 CB GLU B 79 12.221 9.481 -20.930 1.00 0.00 C ATOM 1456 CG GLU B 79 12.256 9.246 -19.429 1.00 0.00 C ATOM 1457 CD GLU B 79 12.018 7.777 -18.993 1.00 0.00 C ATOM 1458 OE1 GLU B 79 11.097 7.103 -19.537 1.00 0.00 O ATOM 1459 OE2 GLU B 79 12.624 7.364 -17.965 1.00 0.00 O ATOM 0 H GLU B 79 14.689 9.328 -20.935 1.00 0.00 H new ATOM 0 HA GLU B 79 12.622 7.469 -21.497 1.00 0.00 H new ATOM 0 HB2 GLU B 79 12.619 10.474 -21.140 1.00 0.00 H new ATOM 0 HB3 GLU B 79 11.183 9.477 -21.263 1.00 0.00 H new ATOM 0 HG2 GLU B 79 13.224 9.571 -19.047 1.00 0.00 H new ATOM 0 HG3 GLU B 79 11.501 9.876 -18.959 1.00 0.00 H new ATOM 1466 N ASP B 80 11.641 8.214 -23.737 1.00 0.00 N ATOM 1467 CA ASP B 80 11.367 8.261 -25.212 1.00 0.00 C ATOM 1468 C ASP B 80 11.292 9.661 -25.830 1.00 0.00 C ATOM 1469 O ASP B 80 11.087 10.717 -25.253 1.00 0.00 O ATOM 1470 CB ASP B 80 10.184 7.350 -25.457 1.00 0.00 C ATOM 1471 CG ASP B 80 9.722 7.054 -26.869 1.00 0.00 C ATOM 1472 OD1 ASP B 80 10.552 7.013 -27.806 1.00 0.00 O ATOM 1473 OD2 ASP B 80 8.518 6.777 -27.055 1.00 0.00 O ATOM 0 H ASP B 80 10.909 7.769 -23.183 1.00 0.00 H new ATOM 0 HA ASP B 80 12.228 7.889 -25.767 1.00 0.00 H new ATOM 0 HB2 ASP B 80 10.411 6.394 -24.986 1.00 0.00 H new ATOM 0 HB3 ASP B 80 9.334 7.775 -24.923 1.00 0.00 H new ATOM 1478 N GLU B 81 11.363 9.754 -27.197 1.00 0.00 N ATOM 1479 CA GLU B 81 11.262 10.939 -28.035 1.00 0.00 C ATOM 1480 C GLU B 81 12.240 12.089 -27.659 1.00 0.00 C ATOM 1481 O GLU B 81 12.049 13.211 -28.172 1.00 0.00 O ATOM 1482 CB GLU B 81 9.829 11.410 -28.019 1.00 0.00 C ATOM 1483 CG GLU B 81 8.755 10.324 -28.335 1.00 0.00 C ATOM 1484 CD GLU B 81 7.325 10.891 -28.581 1.00 0.00 C ATOM 1485 OE1 GLU B 81 6.942 11.910 -28.003 1.00 0.00 O ATOM 1486 OE2 GLU B 81 6.532 10.229 -29.311 1.00 0.00 O ATOM 0 H GLU B 81 11.505 8.917 -27.763 1.00 0.00 H new ATOM 0 HA GLU B 81 11.568 10.651 -29.041 1.00 0.00 H new ATOM 0 HB2 GLU B 81 9.615 11.830 -27.036 1.00 0.00 H new ATOM 0 HB3 GLU B 81 9.724 12.219 -28.742 1.00 0.00 H new ATOM 0 HG2 GLU B 81 9.068 9.765 -29.217 1.00 0.00 H new ATOM 0 HG3 GLU B 81 8.715 9.617 -27.507 1.00 0.00 H new ATOM 1493 N ASP B 82 13.385 11.878 -27.018 1.00 0.00 N ATOM 1494 CA ASP B 82 14.375 12.964 -26.799 1.00 0.00 C ATOM 1495 C ASP B 82 15.314 13.331 -27.941 1.00 0.00 C ATOM 1496 O ASP B 82 15.413 12.714 -29.006 1.00 0.00 O ATOM 1497 CB ASP B 82 15.085 12.771 -25.430 1.00 0.00 C ATOM 1498 CG ASP B 82 14.873 13.941 -24.376 1.00 0.00 C ATOM 1499 OD1 ASP B 82 14.147 14.888 -24.689 1.00 0.00 O ATOM 1500 OD2 ASP B 82 15.257 13.864 -23.184 1.00 0.00 O ATOM 0 H ASP B 82 13.663 10.974 -26.637 1.00 0.00 H new ATOM 0 HA ASP B 82 13.773 13.872 -26.775 1.00 0.00 H new ATOM 0 HB2 ASP B 82 14.734 11.839 -24.987 1.00 0.00 H new ATOM 0 HB3 ASP B 82 16.154 12.656 -25.608 1.00 0.00 H new ATOM 1505 N THR B 83 16.107 14.410 -27.741 1.00 0.00 N ATOM 1506 CA THR B 83 17.102 14.971 -28.691 1.00 0.00 C ATOM 1507 C THR B 83 18.538 14.760 -28.177 1.00 0.00 C ATOM 1508 O THR B 83 18.778 15.116 -27.021 1.00 0.00 O ATOM 1509 CB THR B 83 16.716 16.417 -29.142 1.00 0.00 C ATOM 1510 OG1 THR B 83 15.543 16.543 -29.935 1.00 0.00 O ATOM 1511 CG2 THR B 83 17.822 17.163 -29.888 1.00 0.00 C ATOM 0 H THR B 83 16.070 14.940 -26.871 1.00 0.00 H new ATOM 0 HA THR B 83 17.080 14.411 -29.626 1.00 0.00 H new ATOM 0 HB THR B 83 16.529 16.866 -28.166 1.00 0.00 H new ATOM 0 HG1 THR B 83 15.398 17.486 -30.157 1.00 0.00 H new ATOM 0 HG21 THR B 83 17.469 18.157 -30.163 1.00 0.00 H new ATOM 0 HG22 THR B 83 18.697 17.254 -29.245 1.00 0.00 H new ATOM 0 HG23 THR B 83 18.090 16.611 -30.789 1.00 0.00 H new ATOM 1519 N ILE B 84 19.447 14.262 -28.961 1.00 0.00 N ATOM 1520 CA ILE B 84 20.903 14.479 -28.933 1.00 0.00 C ATOM 1521 C ILE B 84 21.370 15.757 -29.705 1.00 0.00 C ATOM 1522 O ILE B 84 20.845 16.119 -30.803 1.00 0.00 O ATOM 1523 CB ILE B 84 21.742 13.227 -29.356 1.00 0.00 C ATOM 1524 CG1 ILE B 84 21.381 11.996 -28.467 1.00 0.00 C ATOM 1525 CG2 ILE B 84 23.267 13.466 -29.414 1.00 0.00 C ATOM 1526 CD1 ILE B 84 21.572 10.694 -29.143 1.00 0.00 C ATOM 0 H ILE B 84 19.185 13.629 -29.717 1.00 0.00 H new ATOM 0 HA ILE B 84 21.111 14.655 -27.878 1.00 0.00 H new ATOM 0 HB ILE B 84 21.459 13.014 -30.387 1.00 0.00 H new ATOM 0 HG12 ILE B 84 21.992 12.019 -27.565 1.00 0.00 H new ATOM 0 HG13 ILE B 84 20.342 12.081 -28.150 1.00 0.00 H new ATOM 0 HG21 ILE B 84 23.768 12.546 -29.715 1.00 0.00 H new ATOM 0 HG22 ILE B 84 23.485 14.252 -30.137 1.00 0.00 H new ATOM 0 HG23 ILE B 84 23.625 13.769 -28.430 1.00 0.00 H new ATOM 0 HD11 ILE B 84 21.301 9.887 -28.462 1.00 0.00 H new ATOM 0 HD12 ILE B 84 20.940 10.648 -30.030 1.00 0.00 H new ATOM 0 HD13 ILE B 84 22.616 10.586 -29.436 1.00 0.00 H new ATOM 1538 N ASP B 85 22.256 16.617 -29.052 1.00 0.00 N ATOM 1539 CA ASP B 85 22.820 17.755 -29.744 1.00 0.00 C ATOM 1540 C ASP B 85 24.192 17.466 -30.291 1.00 0.00 C ATOM 1541 O ASP B 85 25.002 16.731 -29.704 1.00 0.00 O ATOM 1542 CB ASP B 85 22.933 18.891 -28.778 1.00 0.00 C ATOM 1543 CG ASP B 85 21.691 19.259 -28.086 1.00 0.00 C ATOM 1544 OD1 ASP B 85 20.621 19.036 -28.628 1.00 0.00 O ATOM 1545 OD2 ASP B 85 21.749 19.800 -26.945 1.00 0.00 O ATOM 0 H ASP B 85 22.557 16.510 -28.083 1.00 0.00 H new ATOM 0 HA ASP B 85 22.164 17.996 -30.580 1.00 0.00 H new ATOM 0 HB2 ASP B 85 23.683 18.635 -28.030 1.00 0.00 H new ATOM 0 HB3 ASP B 85 23.302 19.765 -29.314 1.00 0.00 H new ATOM 1550 N VAL B 86 24.415 18.047 -31.457 1.00 0.00 N ATOM 1551 CA VAL B 86 25.649 18.183 -32.196 1.00 0.00 C ATOM 1552 C VAL B 86 26.205 19.590 -32.163 1.00 0.00 C ATOM 1553 O VAL B 86 25.410 20.563 -32.137 1.00 0.00 O ATOM 1554 CB VAL B 86 25.482 17.758 -33.679 1.00 0.00 C ATOM 1555 CG1 VAL B 86 26.765 17.214 -34.305 1.00 0.00 C ATOM 1556 CG2 VAL B 86 24.512 16.543 -33.750 1.00 0.00 C ATOM 0 H VAL B 86 23.644 18.483 -31.962 1.00 0.00 H new ATOM 0 HA VAL B 86 26.353 17.518 -31.696 1.00 0.00 H new ATOM 0 HB VAL B 86 25.145 18.655 -34.199 1.00 0.00 H new ATOM 0 HG11 VAL B 86 26.575 16.937 -35.342 1.00 0.00 H new ATOM 0 HG12 VAL B 86 27.540 17.980 -34.271 1.00 0.00 H new ATOM 0 HG13 VAL B 86 27.097 16.337 -33.750 1.00 0.00 H new ATOM 0 HG21 VAL B 86 24.388 16.237 -34.789 1.00 0.00 H new ATOM 0 HG22 VAL B 86 24.924 15.714 -33.174 1.00 0.00 H new ATOM 0 HG23 VAL B 86 23.544 16.826 -33.337 1.00 0.00 H new ATOM 1566 N PHE B 87 27.537 19.755 -32.235 1.00 0.00 N ATOM 1567 CA PHE B 87 28.294 21.039 -32.183 1.00 0.00 C ATOM 1568 C PHE B 87 29.571 21.062 -33.006 1.00 0.00 C ATOM 1569 O PHE B 87 30.291 20.051 -33.097 1.00 0.00 O ATOM 1570 CB PHE B 87 28.473 21.572 -30.732 1.00 0.00 C ATOM 1571 CG PHE B 87 27.229 21.770 -29.917 1.00 0.00 C ATOM 1572 CD1 PHE B 87 26.631 23.025 -29.878 1.00 0.00 C ATOM 1573 CD2 PHE B 87 26.818 20.752 -29.051 1.00 0.00 C ATOM 1574 CE1 PHE B 87 25.429 23.151 -29.104 1.00 0.00 C ATOM 1575 CE2 PHE B 87 25.711 20.962 -28.200 1.00 0.00 C ATOM 1576 CZ PHE B 87 24.993 22.148 -28.266 1.00 0.00 C ATOM 0 H PHE B 87 28.160 18.954 -32.337 1.00 0.00 H new ATOM 0 HA PHE B 87 27.653 21.759 -32.692 1.00 0.00 H new ATOM 0 HB2 PHE B 87 29.122 20.880 -30.195 1.00 0.00 H new ATOM 0 HB3 PHE B 87 28.998 22.526 -30.785 1.00 0.00 H new ATOM 0 HD1 PHE B 87 27.052 23.867 -30.407 1.00 0.00 H new ATOM 0 HD2 PHE B 87 27.345 19.809 -29.033 1.00 0.00 H new ATOM 0 HE1 PHE B 87 24.849 24.059 -29.181 1.00 0.00 H new ATOM 0 HE2 PHE B 87 25.422 20.197 -27.495 1.00 0.00 H new ATOM 0 HZ PHE B 87 24.104 22.283 -27.668 1.00 0.00 H new ATOM 1586 N GLN B 88 29.883 22.207 -33.638 1.00 0.00 N ATOM 1587 CA GLN B 88 31.118 22.545 -34.335 1.00 0.00 C ATOM 1588 C GLN B 88 32.266 22.909 -33.388 1.00 0.00 C ATOM 1589 O GLN B 88 32.168 22.867 -32.155 1.00 0.00 O ATOM 1590 CB GLN B 88 30.778 23.663 -35.361 1.00 0.00 C ATOM 1591 CG GLN B 88 30.190 23.228 -36.636 1.00 0.00 C ATOM 1592 CD GLN B 88 29.904 24.413 -37.582 1.00 0.00 C ATOM 1593 OE1 GLN B 88 30.341 25.532 -37.428 1.00 0.00 O ATOM 1594 NE2 GLN B 88 29.048 24.260 -38.570 1.00 0.00 N ATOM 0 H GLN B 88 29.216 22.978 -33.672 1.00 0.00 H new ATOM 0 HA GLN B 88 31.500 21.670 -34.862 1.00 0.00 H new ATOM 0 HB2 GLN B 88 30.088 24.361 -34.888 1.00 0.00 H new ATOM 0 HB3 GLN B 88 31.692 24.216 -35.578 1.00 0.00 H new ATOM 0 HG2 GLN B 88 30.868 22.529 -37.127 1.00 0.00 H new ATOM 0 HG3 GLN B 88 29.263 22.689 -36.441 1.00 0.00 H new ATOM 0 HE21 GLN B 88 28.641 23.343 -38.755 1.00 0.00 H new ATOM 0 HE22 GLN B 88 28.791 25.058 -39.151 1.00 0.00 H new ATOM 1603 N GLN B 89 33.466 23.198 -33.886 1.00 0.00 N ATOM 1604 CA GLN B 89 34.745 23.536 -33.212 1.00 0.00 C ATOM 1605 C GLN B 89 35.594 24.596 -34.011 1.00 0.00 C ATOM 1606 O GLN B 89 35.399 24.730 -35.191 1.00 0.00 O ATOM 1607 CB GLN B 89 35.550 22.289 -32.890 1.00 0.00 C ATOM 1608 CG GLN B 89 34.911 21.201 -31.890 1.00 0.00 C ATOM 1609 CD GLN B 89 34.997 21.712 -30.464 1.00 0.00 C ATOM 1610 OE1 GLN B 89 36.042 21.672 -29.807 1.00 0.00 O ATOM 1611 NE2 GLN B 89 33.880 22.243 -29.958 1.00 0.00 N ATOM 0 H GLN B 89 33.594 23.205 -34.898 1.00 0.00 H new ATOM 0 HA GLN B 89 34.483 24.011 -32.266 1.00 0.00 H new ATOM 0 HB2 GLN B 89 35.772 21.785 -33.831 1.00 0.00 H new ATOM 0 HB3 GLN B 89 36.503 22.609 -32.468 1.00 0.00 H new ATOM 0 HG2 GLN B 89 33.871 21.012 -32.158 1.00 0.00 H new ATOM 0 HG3 GLN B 89 35.441 20.253 -31.980 1.00 0.00 H new ATOM 0 HE21 GLN B 89 33.027 22.266 -30.517 1.00 0.00 H new ATOM 0 HE22 GLN B 89 33.880 22.625 -29.012 1.00 0.00 H new