USER MOD reduce.3.24.130724 H: found=0, std=0, add=536, rem=0, adj=14 USER MOD reduce.3.24.130724 removed 0 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: A 40 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00203) USER MOD Set 1.2: A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 26 TYR OH : rot 180:sc= 0.00767 USER MOD Set 2.2: A 30 LYS NZ :NH3+ 172:sc= 0.00737 (180deg=0) USER MOD Single : A 3 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 5 THR OG1 : rot -69:sc= 1.1 USER MOD Single : A 20 MET CE :methyl 176:sc= 0 (180deg=-0.00908) USER MOD Single : A 24 THR OG1 : rot 86:sc= -14.9! USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot -104:sc= -0.326! USER MOD Single : A 55 THR OG1 : rot 96:sc= 1.25 USER MOD Single : A 56 MET CE :methyl 179:sc= 0 (180deg=-0.00211) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot -42:sc= -3.38! USER MOD Single : A 68 MET CE :methyl -133:sc= -3.83! (180deg=-8.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 -0.732 -29.084 12.031 1.00 0.00 N ATOM 2 CA ALA A 2 -2.110 -28.663 11.844 1.00 0.00 C ATOM 3 C ALA A 2 -2.244 -27.185 12.214 1.00 0.00 C ATOM 4 O ALA A 2 -3.159 -26.506 11.751 1.00 0.00 O ATOM 5 CB ALA A 2 -3.035 -29.557 12.673 1.00 0.00 C ATOM 0 HA ALA A 2 -2.403 -28.769 10.800 1.00 0.00 H new ATOM 0 HB1 ALA A 2 -4.069 -29.241 12.532 1.00 0.00 H new ATOM 0 HB2 ALA A 2 -2.925 -30.592 12.351 1.00 0.00 H new ATOM 0 HB3 ALA A 2 -2.771 -29.475 13.727 1.00 0.00 H new ATOM 6 N GLN A 3 -1.318 -26.731 13.044 1.00 0.00 N ATOM 7 CA GLN A 3 -1.319 -25.345 13.482 1.00 0.00 C ATOM 8 C GLN A 3 -0.350 -24.519 12.633 1.00 0.00 C ATOM 9 O GLN A 3 0.752 -24.199 13.077 1.00 0.00 O ATOM 10 CB GLN A 3 -0.975 -25.240 14.968 1.00 0.00 C ATOM 11 CG GLN A 3 -2.028 -25.940 15.827 1.00 0.00 C ATOM 12 CD GLN A 3 -1.660 -25.874 17.310 1.00 0.00 C ATOM 13 OE1 GLN A 3 -2.184 -25.078 18.072 1.00 0.00 O ATOM 14 NE2 GLN A 3 -0.731 -26.754 17.677 1.00 0.00 N ATOM 0 H GLN A 3 -0.561 -27.298 13.426 1.00 0.00 H new ATOM 0 HA GLN A 3 -2.323 -24.942 13.347 1.00 0.00 H new ATOM 0 HB2 GLN A 3 0.003 -25.686 15.151 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -0.906 -24.191 15.255 1.00 0.00 H new ATOM 0 HG2 GLN A 3 -3.000 -25.473 15.669 1.00 0.00 H new ATOM 0 HG3 GLN A 3 -2.121 -26.981 15.518 1.00 0.00 H new ATOM 0 HE21 GLN A 3 -0.333 -27.393 16.988 1.00 0.00 H new ATOM 0 HE22 GLN A 3 -0.417 -26.790 18.647 1.00 0.00 H new ATOM 15 N ILE A 4 -0.797 -24.198 11.427 1.00 0.00 N ATOM 16 CA ILE A 4 0.017 -23.415 10.512 1.00 0.00 C ATOM 17 C ILE A 4 -0.543 -21.994 10.427 1.00 0.00 C ATOM 18 O ILE A 4 -0.844 -21.506 9.338 1.00 0.00 O ATOM 19 CB ILE A 4 0.123 -24.116 9.156 1.00 0.00 C ATOM 20 CG1 ILE A 4 -1.264 -24.396 8.574 1.00 0.00 C ATOM 21 CG2 ILE A 4 0.968 -25.387 9.260 1.00 0.00 C ATOM 22 CD1 ILE A 4 -1.676 -25.850 8.812 1.00 0.00 C ATOM 0 H ILE A 4 -1.711 -24.466 11.063 1.00 0.00 H new ATOM 0 HA ILE A 4 1.038 -23.334 10.884 1.00 0.00 H new ATOM 0 HB ILE A 4 0.634 -23.446 8.464 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -1.995 -23.728 9.030 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -1.263 -24.185 7.505 1.00 0.00 H new ATOM 0 HG21 ILE A 4 1.027 -25.866 8.282 1.00 0.00 H new ATOM 0 HG22 ILE A 4 1.971 -25.130 9.600 1.00 0.00 H new ATOM 0 HG23 ILE A 4 0.508 -26.072 9.972 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -2.666 -26.022 8.388 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -0.956 -26.515 8.334 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -1.700 -26.051 9.883 1.00 0.00 H new ATOM 23 N THR A 5 -0.665 -21.370 11.590 1.00 0.00 N ATOM 24 CA THR A 5 -1.185 -20.015 11.660 1.00 0.00 C ATOM 25 C THR A 5 -2.299 -19.816 10.630 1.00 0.00 C ATOM 26 O THR A 5 -2.260 -18.872 9.843 1.00 0.00 O ATOM 27 CB THR A 5 -0.011 -19.050 11.479 1.00 0.00 C ATOM 28 OG1 THR A 5 -0.625 -17.767 11.394 1.00 0.00 O ATOM 29 CG2 THR A 5 0.685 -19.221 10.127 1.00 0.00 C ATOM 0 H THR A 5 -0.413 -21.778 12.490 1.00 0.00 H new ATOM 0 HA THR A 5 -1.643 -19.817 12.629 1.00 0.00 H new ATOM 0 HB THR A 5 0.711 -19.204 12.281 1.00 0.00 H new ATOM 0 HG1 THR A 5 -1.126 -17.699 10.554 1.00 0.00 H new ATOM 0 HG21 THR A 5 1.510 -18.513 10.050 1.00 0.00 H new ATOM 0 HG22 THR A 5 1.070 -20.237 10.042 1.00 0.00 H new ATOM 0 HG23 THR A 5 -0.029 -19.035 9.324 1.00 0.00 H new ATOM 30 N GLY A 6 -3.266 -20.720 10.671 1.00 0.00 N ATOM 31 CA GLY A 6 -4.389 -20.656 9.753 1.00 0.00 C ATOM 32 C GLY A 6 -4.135 -21.519 8.515 1.00 0.00 C ATOM 33 O GLY A 6 -3.081 -21.418 7.890 1.00 0.00 O ATOM 0 H GLY A 6 -3.295 -21.501 11.326 1.00 0.00 H new ATOM 0 HA2 GLY A 6 -5.295 -20.994 10.257 1.00 0.00 H new ATOM 0 HA3 GLY A 6 -4.559 -19.622 9.452 1.00 0.00 H new ATOM 34 N ARG A 7 -5.119 -22.347 8.197 1.00 0.00 N ATOM 35 CA ARG A 7 -5.016 -23.226 7.047 1.00 0.00 C ATOM 36 C ARG A 7 -4.932 -22.407 5.757 1.00 0.00 C ATOM 37 O ARG A 7 -4.086 -22.667 4.904 1.00 0.00 O ATOM 38 CB ARG A 7 -6.217 -24.171 6.963 1.00 0.00 C ATOM 39 CG ARG A 7 -5.776 -25.588 6.597 1.00 0.00 C ATOM 40 CD ARG A 7 -5.217 -25.638 5.173 1.00 0.00 C ATOM 41 NE ARG A 7 -5.152 -27.039 4.703 1.00 0.00 N ATOM 42 CZ ARG A 7 -6.213 -27.740 4.280 1.00 0.00 C ATOM 43 NH1 ARG A 7 -7.428 -27.175 4.267 1.00 0.00 N ATOM 44 NH2 ARG A 7 -6.060 -29.007 3.871 1.00 0.00 N ATOM 0 H ARG A 7 -5.993 -22.427 8.717 1.00 0.00 H new ATOM 0 HA ARG A 7 -4.109 -23.819 7.166 1.00 0.00 H new ATOM 0 HB2 ARG A 7 -6.741 -24.185 7.919 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -6.923 -23.802 6.218 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -5.018 -25.930 7.301 1.00 0.00 H new ATOM 0 HG3 ARG A 7 -6.622 -26.270 6.684 1.00 0.00 H new ATOM 0 HD2 ARG A 7 -5.848 -25.051 4.505 1.00 0.00 H new ATOM 0 HD3 ARG A 7 -4.223 -25.191 5.148 1.00 0.00 H new ATOM 0 HE ARG A 7 -4.242 -27.501 4.701 1.00 0.00 H new ATOM 0 HH11 ARG A 7 -7.546 -26.211 4.579 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -8.235 -27.709 3.945 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -5.136 -29.438 3.882 1.00 0.00 H new ATOM 0 HH22 ARG A 7 -6.868 -29.540 3.549 1.00 0.00 H new ATOM 45 N PRO A 8 -5.846 -21.404 5.653 1.00 0.00 N ATOM 46 CA PRO A 8 -5.884 -20.545 4.483 1.00 0.00 C ATOM 47 C PRO A 8 -5.096 -19.255 4.724 1.00 0.00 C ATOM 48 O PRO A 8 -5.607 -18.160 4.499 1.00 0.00 O ATOM 49 CB PRO A 8 -7.362 -20.296 4.224 1.00 0.00 C ATOM 50 CG PRO A 8 -8.066 -20.559 5.546 1.00 0.00 C ATOM 51 CD PRO A 8 -7.030 -21.072 6.532 1.00 0.00 C ATOM 0 HA PRO A 8 -5.411 -21.000 3.613 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -7.533 -19.274 3.887 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -7.738 -20.956 3.443 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.529 -19.646 5.920 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -8.863 -21.291 5.415 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -6.778 -20.319 7.278 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -7.388 -21.949 7.072 1.00 0.00 H new ATOM 52 N GLU A 9 -3.864 -19.429 5.180 1.00 0.00 N ATOM 53 CA GLU A 9 -3.001 -18.294 5.454 1.00 0.00 C ATOM 54 C GLU A 9 -2.552 -17.639 4.146 1.00 0.00 C ATOM 55 O GLU A 9 -2.284 -16.439 4.107 1.00 0.00 O ATOM 56 CB GLU A 9 -1.795 -18.713 6.300 1.00 0.00 C ATOM 57 CG GLU A 9 -0.810 -19.544 5.476 1.00 0.00 C ATOM 58 CD GLU A 9 0.252 -20.181 6.372 1.00 0.00 C ATOM 59 OE1 GLU A 9 1.208 -19.504 6.781 1.00 0.00 O ATOM 60 OE2 GLU A 9 0.159 -21.377 6.691 1.00 0.00 O ATOM 0 H GLU A 9 -3.444 -20.339 5.366 1.00 0.00 H new ATOM 0 HA GLU A 9 -3.569 -17.562 6.028 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -1.293 -17.827 6.688 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -2.133 -19.291 7.160 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -1.349 -20.322 4.935 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -0.330 -18.911 4.730 1.00 0.00 H new ATOM 61 N TRP A 10 -2.484 -18.457 3.105 1.00 0.00 N ATOM 62 CA TRP A 10 -2.072 -17.972 1.799 1.00 0.00 C ATOM 63 C TRP A 10 -3.172 -17.049 1.269 1.00 0.00 C ATOM 64 O TRP A 10 -2.885 -16.052 0.609 1.00 0.00 O ATOM 65 CB TRP A 10 -1.763 -19.137 0.855 1.00 0.00 C ATOM 66 CG TRP A 10 -1.436 -18.706 -0.576 1.00 0.00 C ATOM 67 CD1 TRP A 10 -2.171 -18.887 -1.682 1.00 0.00 C ATOM 68 CD2 TRP A 10 -0.280 -18.024 -1.044 1.00 0.00 C ATOM 69 NE1 TRP A 10 -1.549 -18.363 -2.796 1.00 0.00 N ATOM 70 CE2 TRP A 10 -0.342 -17.815 -2.377 1.00 0.00 C ATOM 71 CE3 TRP A 10 0.835 -17.583 -0.304 1.00 0.00 C ATOM 72 CZ2 TRP A 10 0.648 -17.166 -3.127 1.00 0.00 C ATOM 73 CZ3 TRP A 10 1.825 -16.934 -1.053 1.00 0.00 C ATOM 74 CH2 TRP A 10 1.761 -16.719 -2.425 1.00 0.00 C ATOM 0 H TRP A 10 -2.707 -19.452 3.140 1.00 0.00 H new ATOM 0 HA TRP A 10 -1.145 -17.403 1.873 1.00 0.00 H new ATOM 0 HB2 TRP A 10 -0.921 -19.702 1.255 1.00 0.00 H new ATOM 0 HB3 TRP A 10 -2.619 -19.812 0.834 1.00 0.00 H new ATOM 0 HD1 TRP A 10 -3.131 -19.382 -1.699 1.00 0.00 H new ATOM 0 HE1 TRP A 10 -1.908 -18.375 -3.751 1.00 0.00 H new ATOM 0 HE3 TRP A 10 0.920 -17.734 0.762 1.00 0.00 H new ATOM 0 HZ2 TRP A 10 0.551 -17.021 -4.193 1.00 0.00 H new ATOM 0 HZ3 TRP A 10 2.698 -16.576 -0.528 1.00 0.00 H new ATOM 0 HH2 TRP A 10 2.565 -16.212 -2.938 1.00 0.00 H new ATOM 75 N ILE A 11 -4.407 -17.415 1.578 1.00 0.00 N ATOM 76 CA ILE A 11 -5.551 -16.632 1.142 1.00 0.00 C ATOM 77 C ILE A 11 -5.599 -15.322 1.932 1.00 0.00 C ATOM 78 O ILE A 11 -5.911 -14.270 1.379 1.00 0.00 O ATOM 79 CB ILE A 11 -6.836 -17.457 1.243 1.00 0.00 C ATOM 80 CG1 ILE A 11 -6.710 -18.765 0.462 1.00 0.00 C ATOM 81 CG2 ILE A 11 -8.050 -16.637 0.799 1.00 0.00 C ATOM 82 CD1 ILE A 11 -6.361 -18.498 -1.004 1.00 0.00 C ATOM 0 H ILE A 11 -4.641 -18.243 2.125 1.00 0.00 H new ATOM 0 HA ILE A 11 -5.451 -16.367 0.089 1.00 0.00 H new ATOM 0 HB ILE A 11 -6.992 -17.721 2.289 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -5.940 -19.390 0.915 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -7.646 -19.320 0.521 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -8.950 -17.246 0.880 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -8.148 -15.758 1.436 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -7.917 -16.322 -0.236 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -6.277 -19.445 -1.536 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -7.145 -17.893 -1.460 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -5.412 -17.965 -1.061 1.00 0.00 H new ATOM 83 N TRP A 12 -5.284 -15.430 3.215 1.00 0.00 N ATOM 84 CA TRP A 12 -5.286 -14.268 4.086 1.00 0.00 C ATOM 85 C TRP A 12 -4.205 -13.303 3.593 1.00 0.00 C ATOM 86 O TRP A 12 -4.365 -12.088 3.682 1.00 0.00 O ATOM 87 CB TRP A 12 -5.099 -14.679 5.549 1.00 0.00 C ATOM 88 CG TRP A 12 -5.067 -13.503 6.525 1.00 0.00 C ATOM 89 CD1 TRP A 12 -4.006 -12.984 7.159 1.00 0.00 C ATOM 90 CD2 TRP A 12 -6.154 -12.704 6.974 1.00 0.00 C ATOM 91 NE1 TRP A 12 -4.365 -11.924 7.965 1.00 0.00 N ATOM 92 CE2 TRP A 12 -5.740 -11.754 7.839 1.00 0.00 C ATOM 93 CE3 TRP A 12 -7.517 -12.805 6.626 1.00 0.00 C ATOM 94 CZ2 TRP A 12 -6.578 -10.814 8.451 1.00 0.00 C ATOM 95 CZ3 TRP A 12 -8.355 -11.867 7.238 1.00 0.00 C ATOM 96 CH2 TRP A 12 -7.928 -10.888 8.129 1.00 0.00 C ATOM 0 H TRP A 12 -5.026 -16.305 3.672 1.00 0.00 H new ATOM 0 HA TRP A 12 -6.249 -13.759 4.047 1.00 0.00 H new ATOM 0 HB2 TRP A 12 -5.908 -15.352 5.833 1.00 0.00 H new ATOM 0 HB3 TRP A 12 -4.170 -15.241 5.642 1.00 0.00 H new ATOM 0 HD1 TRP A 12 -2.996 -13.350 7.052 1.00 0.00 H new ATOM 0 HE1 TRP A 12 -3.738 -11.367 8.546 1.00 0.00 H new ATOM 0 HE3 TRP A 12 -7.886 -13.551 5.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 12 -6.196 -10.072 9.136 1.00 0.00 H new ATOM 0 HZ3 TRP A 12 -9.408 -11.906 7.002 1.00 0.00 H new ATOM 0 HH2 TRP A 12 -8.634 -10.196 8.564 1.00 0.00 H new ATOM 97 N LEU A 13 -3.129 -13.884 3.083 1.00 0.00 N ATOM 98 CA LEU A 13 -2.021 -13.093 2.575 1.00 0.00 C ATOM 99 C LEU A 13 -2.460 -12.368 1.301 1.00 0.00 C ATOM 100 O LEU A 13 -2.166 -11.188 1.121 1.00 0.00 O ATOM 101 CB LEU A 13 -0.779 -13.965 2.388 1.00 0.00 C ATOM 102 CG LEU A 13 0.485 -13.183 2.749 1.00 0.00 C ATOM 103 CD1 LEU A 13 1.712 -14.098 2.759 1.00 0.00 C ATOM 104 CD2 LEU A 13 0.672 -11.984 1.817 1.00 0.00 C ATOM 0 H LEU A 13 -3.001 -14.893 3.011 1.00 0.00 H new ATOM 0 HA LEU A 13 -1.738 -12.328 3.298 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -0.854 -14.854 3.014 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -0.720 -14.306 1.355 1.00 0.00 H new ATOM 0 HG LEU A 13 0.368 -12.791 3.759 1.00 0.00 H new ATOM 0 HD11 LEU A 13 2.597 -13.517 3.019 1.00 0.00 H new ATOM 0 HD12 LEU A 13 1.569 -14.890 3.494 1.00 0.00 H new ATOM 0 HD13 LEU A 13 1.845 -14.540 1.771 1.00 0.00 H new ATOM 0 HD21 LEU A 13 1.578 -11.445 2.095 1.00 0.00 H new ATOM 0 HD22 LEU A 13 0.759 -12.333 0.788 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -0.187 -11.319 1.903 1.00 0.00 H new ATOM 105 N ALA A 14 -3.159 -13.106 0.450 1.00 0.00 N ATOM 106 CA ALA A 14 -3.640 -12.548 -0.803 1.00 0.00 C ATOM 107 C ALA A 14 -4.575 -11.374 -0.507 1.00 0.00 C ATOM 108 O ALA A 14 -4.491 -10.329 -1.151 1.00 0.00 O ATOM 109 CB ALA A 14 -4.324 -13.646 -1.621 1.00 0.00 C ATOM 0 H ALA A 14 -3.403 -14.084 0.603 1.00 0.00 H new ATOM 0 HA ALA A 14 -2.810 -12.167 -1.398 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -4.685 -13.228 -2.561 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -3.610 -14.443 -1.829 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -5.165 -14.050 -1.057 1.00 0.00 H new ATOM 110 N LEU A 15 -5.447 -11.585 0.470 1.00 0.00 N ATOM 111 CA LEU A 15 -6.397 -10.556 0.859 1.00 0.00 C ATOM 112 C LEU A 15 -5.641 -9.374 1.469 1.00 0.00 C ATOM 113 O LEU A 15 -6.027 -8.222 1.280 1.00 0.00 O ATOM 114 CB LEU A 15 -7.470 -11.139 1.781 1.00 0.00 C ATOM 115 CG LEU A 15 -8.726 -11.496 0.983 1.00 0.00 C ATOM 116 CD1 LEU A 15 -8.451 -12.650 0.015 1.00 0.00 C ATOM 117 CD2 LEU A 15 -9.902 -11.798 1.915 1.00 0.00 C ATOM 0 H LEU A 15 -5.515 -12.452 1.003 1.00 0.00 H new ATOM 0 HA LEU A 15 -6.929 -10.179 -0.015 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -7.085 -12.028 2.281 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -7.719 -10.418 2.560 1.00 0.00 H new ATOM 0 HG LEU A 15 -9.006 -10.631 0.382 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -9.360 -12.884 -0.540 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -7.665 -12.361 -0.682 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -8.133 -13.528 0.577 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -10.781 -12.049 1.322 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -9.648 -12.639 2.560 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -10.115 -10.922 2.527 1.00 0.00 H new ATOM 118 N GLY A 16 -4.577 -9.700 2.187 1.00 0.00 N ATOM 119 CA GLY A 16 -3.763 -8.679 2.825 1.00 0.00 C ATOM 120 C GLY A 16 -3.071 -7.799 1.783 1.00 0.00 C ATOM 121 O GLY A 16 -3.002 -6.581 1.942 1.00 0.00 O ATOM 0 H GLY A 16 -4.259 -10.657 2.341 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -4.388 -8.062 3.470 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -3.015 -9.151 3.462 1.00 0.00 H new ATOM 122 N THR A 17 -2.577 -8.450 0.740 1.00 0.00 N ATOM 123 CA THR A 17 -1.892 -7.741 -0.327 1.00 0.00 C ATOM 124 C THR A 17 -2.881 -6.883 -1.118 1.00 0.00 C ATOM 125 O THR A 17 -2.551 -5.775 -1.539 1.00 0.00 O ATOM 126 CB THR A 17 -1.161 -8.773 -1.186 1.00 0.00 C ATOM 127 OG1 THR A 17 -0.373 -9.508 -0.254 1.00 0.00 O ATOM 128 CG2 THR A 17 -0.130 -8.134 -2.122 1.00 0.00 C ATOM 0 H THR A 17 -2.638 -9.460 0.611 1.00 0.00 H new ATOM 0 HA THR A 17 -1.153 -7.046 0.071 1.00 0.00 H new ATOM 0 HB THR A 17 -1.888 -9.333 -1.774 1.00 0.00 H new ATOM 0 HG21 THR A 17 0.360 -8.911 -2.709 1.00 0.00 H new ATOM 0 HG22 THR A 17 -0.631 -7.435 -2.792 1.00 0.00 H new ATOM 0 HG23 THR A 17 0.616 -7.601 -1.532 1.00 0.00 H new ATOM 129 N ALA A 18 -4.076 -7.427 -1.297 1.00 0.00 N ATOM 130 CA ALA A 18 -5.116 -6.727 -2.030 1.00 0.00 C ATOM 131 C ALA A 18 -5.535 -5.482 -1.246 1.00 0.00 C ATOM 132 O ALA A 18 -5.690 -4.405 -1.822 1.00 0.00 O ATOM 133 CB ALA A 18 -6.290 -7.675 -2.286 1.00 0.00 C ATOM 0 H ALA A 18 -4.347 -8.346 -0.946 1.00 0.00 H new ATOM 0 HA ALA A 18 -4.745 -6.399 -3.001 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -7.070 -7.148 -2.836 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -5.947 -8.529 -2.870 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -6.690 -8.024 -1.334 1.00 0.00 H new ATOM 134 N LEU A 19 -5.705 -5.668 0.054 1.00 0.00 N ATOM 135 CA LEU A 19 -6.103 -4.573 0.923 1.00 0.00 C ATOM 136 C LEU A 19 -5.026 -3.488 0.893 1.00 0.00 C ATOM 137 O LEU A 19 -5.337 -2.303 0.783 1.00 0.00 O ATOM 138 CB LEU A 19 -6.414 -5.091 2.328 1.00 0.00 C ATOM 139 CG LEU A 19 -6.923 -3.953 3.216 1.00 0.00 C ATOM 140 CD1 LEU A 19 -8.180 -4.373 3.980 1.00 0.00 C ATOM 141 CD2 LEU A 19 -5.821 -3.456 4.155 1.00 0.00 C ATOM 0 H LEU A 19 -5.574 -6.562 0.528 1.00 0.00 H new ATOM 0 HA LEU A 19 -7.026 -4.117 0.564 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -7.163 -5.881 2.274 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.518 -5.530 2.767 1.00 0.00 H new ATOM 0 HG LEU A 19 -7.201 -3.117 2.574 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -8.520 -3.546 4.603 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -8.964 -4.640 3.272 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -7.952 -5.233 4.611 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -6.208 -2.648 4.775 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -5.489 -4.275 4.793 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -4.979 -3.091 3.567 1.00 0.00 H new ATOM 142 N MET A 20 -3.781 -3.931 0.992 1.00 0.00 N ATOM 143 CA MET A 20 -2.656 -3.011 0.977 1.00 0.00 C ATOM 144 C MET A 20 -2.601 -2.231 -0.338 1.00 0.00 C ATOM 145 O MET A 20 -2.329 -1.032 -0.342 1.00 0.00 O ATOM 146 CB MET A 20 -1.353 -3.795 1.160 1.00 0.00 C ATOM 147 CG MET A 20 -0.152 -2.851 1.230 1.00 0.00 C ATOM 148 SD MET A 20 1.318 -3.767 1.663 1.00 0.00 S ATOM 149 CE MET A 20 1.740 -4.449 0.068 1.00 0.00 C ATOM 0 H MET A 20 -3.527 -4.915 1.083 1.00 0.00 H new ATOM 0 HA MET A 20 -2.782 -2.300 1.794 1.00 0.00 H new ATOM 0 HB2 MET A 20 -1.407 -4.389 2.072 1.00 0.00 H new ATOM 0 HB3 MET A 20 -1.224 -4.492 0.332 1.00 0.00 H new ATOM 0 HG2 MET A 20 -0.012 -2.355 0.270 1.00 0.00 H new ATOM 0 HG3 MET A 20 -0.335 -2.070 1.968 1.00 0.00 H new ATOM 0 HE1 MET A 20 2.680 -4.995 0.143 1.00 0.00 H new ATOM 0 HE2 MET A 20 0.951 -5.127 -0.258 1.00 0.00 H new ATOM 0 HE3 MET A 20 1.846 -3.642 -0.656 1.00 0.00 H new ATOM 150 N GLY A 21 -2.865 -2.945 -1.423 1.00 0.00 N ATOM 151 CA GLY A 21 -2.849 -2.334 -2.741 1.00 0.00 C ATOM 152 C GLY A 21 -3.916 -1.243 -2.853 1.00 0.00 C ATOM 153 O GLY A 21 -3.642 -0.151 -3.351 1.00 0.00 O ATOM 0 H GLY A 21 -3.091 -3.940 -1.416 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -1.865 -1.907 -2.936 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -3.022 -3.096 -3.501 1.00 0.00 H new ATOM 154 N LEU A 22 -5.109 -1.574 -2.381 1.00 0.00 N ATOM 155 CA LEU A 22 -6.217 -0.636 -2.421 1.00 0.00 C ATOM 156 C LEU A 22 -5.885 0.577 -1.550 1.00 0.00 C ATOM 157 O LEU A 22 -6.239 1.705 -1.889 1.00 0.00 O ATOM 158 CB LEU A 22 -7.523 -1.331 -2.033 1.00 0.00 C ATOM 159 CG LEU A 22 -7.947 -2.321 -3.121 1.00 0.00 C ATOM 160 CD1 LEU A 22 -8.796 -3.451 -2.535 1.00 0.00 C ATOM 161 CD2 LEU A 22 -8.661 -1.602 -4.267 1.00 0.00 C ATOM 0 H LEU A 22 -5.332 -2.480 -1.969 1.00 0.00 H new ATOM 0 HA LEU A 22 -6.367 -0.269 -3.436 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -7.396 -1.855 -1.086 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -8.307 -0.588 -1.883 1.00 0.00 H new ATOM 0 HG LEU A 22 -7.049 -2.777 -3.537 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -9.083 -4.140 -3.329 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -8.219 -3.987 -1.782 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -9.692 -3.033 -2.076 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -8.952 -2.328 -5.027 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -9.550 -1.101 -3.884 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -7.990 -0.864 -4.708 1.00 0.00 H new ATOM 162 N GLY A 23 -5.208 0.303 -0.445 1.00 0.00 N ATOM 163 CA GLY A 23 -4.824 1.357 0.479 1.00 0.00 C ATOM 164 C GLY A 23 -3.811 2.306 -0.164 1.00 0.00 C ATOM 165 O GLY A 23 -3.872 3.518 0.043 1.00 0.00 O ATOM 0 H GLY A 23 -4.915 -0.634 -0.168 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -5.708 1.916 0.786 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -4.396 0.918 1.380 1.00 0.00 H new ATOM 166 N THR A 24 -2.905 1.722 -0.933 1.00 0.00 N ATOM 167 CA THR A 24 -1.882 2.502 -1.609 1.00 0.00 C ATOM 168 C THR A 24 -2.507 3.371 -2.702 1.00 0.00 C ATOM 169 O THR A 24 -2.114 4.522 -2.885 1.00 0.00 O ATOM 170 CB THR A 24 -0.819 1.534 -2.134 1.00 0.00 C ATOM 171 OG1 THR A 24 -0.399 0.817 -0.977 1.00 0.00 O ATOM 172 CG2 THR A 24 0.445 2.253 -2.610 1.00 0.00 C ATOM 0 H THR A 24 -2.858 0.717 -1.103 1.00 0.00 H new ATOM 0 HA THR A 24 -1.398 3.198 -0.923 1.00 0.00 H new ATOM 0 HB THR A 24 -1.234 0.951 -2.956 1.00 0.00 H new ATOM 0 HG1 THR A 24 -0.995 0.053 -0.831 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.166 1.520 -2.972 1.00 0.00 H new ATOM 0 HG22 THR A 24 0.191 2.941 -3.416 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.880 2.811 -1.781 1.00 0.00 H new ATOM 173 N LEU A 25 -3.469 2.786 -3.399 1.00 0.00 N ATOM 174 CA LEU A 25 -4.153 3.492 -4.469 1.00 0.00 C ATOM 175 C LEU A 25 -4.953 4.654 -3.878 1.00 0.00 C ATOM 176 O LEU A 25 -4.937 5.761 -4.413 1.00 0.00 O ATOM 177 CB LEU A 25 -4.999 2.522 -5.296 1.00 0.00 C ATOM 178 CG LEU A 25 -4.102 1.604 -6.128 1.00 0.00 C ATOM 179 CD1 LEU A 25 -4.805 0.280 -6.434 1.00 0.00 C ATOM 180 CD2 LEU A 25 -3.625 2.309 -7.401 1.00 0.00 C ATOM 0 H LEU A 25 -3.791 1.831 -3.244 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.431 3.922 -5.163 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -5.628 1.925 -4.636 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -5.666 3.081 -5.952 1.00 0.00 H new ATOM 0 HG LEU A 25 -3.215 1.368 -5.540 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.145 -0.354 -7.027 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -5.051 -0.225 -5.500 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.720 0.475 -6.994 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.989 1.634 -7.974 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -4.487 2.594 -8.004 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -3.059 3.201 -7.133 1.00 0.00 H new ATOM 181 N TYR A 26 -5.636 4.362 -2.780 1.00 0.00 N ATOM 182 CA TYR A 26 -6.441 5.369 -2.109 1.00 0.00 C ATOM 183 C TYR A 26 -5.571 6.526 -1.613 1.00 0.00 C ATOM 184 O TYR A 26 -5.953 7.689 -1.734 1.00 0.00 O ATOM 185 CB TYR A 26 -7.074 4.670 -0.904 1.00 0.00 C ATOM 186 CG TYR A 26 -8.003 5.565 -0.082 1.00 0.00 C ATOM 187 CD1 TYR A 26 -9.133 6.070 -0.642 1.00 0.00 C ATOM 188 CD2 TYR A 26 -7.679 5.873 1.288 1.00 0.00 C ATOM 189 CE1 TYR A 26 -10.006 6.914 0.132 1.00 0.00 C ATOM 190 CE2 TYR A 26 -8.503 6.669 2.019 1.00 0.00 C ATOM 191 CZ TYR A 26 -9.701 7.204 1.424 1.00 0.00 C ATOM 192 OH TYR A 26 -10.526 8.000 2.157 1.00 0.00 O ATOM 0 H TYR A 26 -5.648 3.443 -2.339 1.00 0.00 H new ATOM 0 HA TYR A 26 -7.184 5.782 -2.791 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -7.636 3.804 -1.253 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -6.281 4.295 -0.257 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -9.377 5.838 -1.668 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -6.781 5.471 1.734 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -10.903 7.317 -0.314 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -8.260 6.900 3.046 1.00 0.00 H new ATOM 0 HH TYR A 26 -10.161 8.106 3.060 1.00 0.00 H new ATOM 193 N PHE A 27 -4.421 6.166 -1.066 1.00 0.00 N ATOM 194 CA PHE A 27 -3.494 7.159 -0.549 1.00 0.00 C ATOM 195 C PHE A 27 -2.853 7.954 -1.689 1.00 0.00 C ATOM 196 O PHE A 27 -2.530 9.130 -1.526 1.00 0.00 O ATOM 197 CB PHE A 27 -2.400 6.401 0.205 1.00 0.00 C ATOM 198 CG PHE A 27 -1.299 7.300 0.772 1.00 0.00 C ATOM 199 CD1 PHE A 27 -1.506 7.988 1.997 1.00 0.00 C ATOM 200 CD2 PHE A 27 -0.122 7.438 0.105 1.00 0.00 C ATOM 201 CE1 PHE A 27 -0.528 8.787 2.502 1.00 0.00 C ATOM 202 CE2 PHE A 27 0.899 8.274 0.633 1.00 0.00 C ATOM 203 CZ PHE A 27 0.701 8.932 1.805 1.00 0.00 C ATOM 0 H PHE A 27 -4.109 5.200 -0.969 1.00 0.00 H new ATOM 0 HA PHE A 27 -4.022 7.860 0.097 1.00 0.00 H new ATOM 0 HB2 PHE A 27 -2.856 5.843 1.023 1.00 0.00 H new ATOM 0 HB3 PHE A 27 -1.949 5.671 -0.467 1.00 0.00 H new ATOM 0 HD1 PHE A 27 -2.440 7.877 2.528 1.00 0.00 H new ATOM 0 HD2 PHE A 27 0.037 6.913 -0.825 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.686 9.311 3.433 1.00 0.00 H new ATOM 0 HE2 PHE A 27 1.833 8.386 0.102 1.00 0.00 H new ATOM 0 HZ PHE A 27 1.478 9.565 2.207 1.00 0.00 H new ATOM 204 N LEU A 28 -2.689 7.281 -2.819 1.00 0.00 N ATOM 205 CA LEU A 28 -2.093 7.909 -3.985 1.00 0.00 C ATOM 206 C LEU A 28 -3.063 8.951 -4.549 1.00 0.00 C ATOM 207 O LEU A 28 -2.650 10.050 -4.920 1.00 0.00 O ATOM 208 CB LEU A 28 -1.668 6.853 -5.006 1.00 0.00 C ATOM 209 CG LEU A 28 -1.120 7.518 -6.270 1.00 0.00 C ATOM 210 CD1 LEU A 28 0.186 8.259 -5.978 1.00 0.00 C ATOM 211 CD2 LEU A 28 -0.962 6.500 -7.400 1.00 0.00 C ATOM 0 H LEU A 28 -2.959 6.306 -2.951 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.180 8.436 -3.707 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.908 6.204 -4.571 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -2.519 6.222 -5.260 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.843 8.262 -6.606 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.554 8.722 -6.893 1.00 0.00 H new ATOM 0 HD12 LEU A 28 0.007 9.029 -5.228 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.929 7.554 -5.604 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -0.571 6.999 -8.287 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -0.271 5.716 -7.090 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -1.932 6.058 -7.630 1.00 0.00 H new ATOM 212 N VAL A 29 -4.331 8.572 -4.592 1.00 0.00 N ATOM 213 CA VAL A 29 -5.361 9.459 -5.103 1.00 0.00 C ATOM 214 C VAL A 29 -5.430 10.712 -4.225 1.00 0.00 C ATOM 215 O VAL A 29 -5.571 11.823 -4.734 1.00 0.00 O ATOM 216 CB VAL A 29 -6.695 8.717 -5.190 1.00 0.00 C ATOM 217 CG1 VAL A 29 -7.862 9.698 -5.312 1.00 0.00 C ATOM 218 CG2 VAL A 29 -6.694 7.718 -6.349 1.00 0.00 C ATOM 0 H VAL A 29 -4.669 7.661 -4.281 1.00 0.00 H new ATOM 0 HA VAL A 29 -5.118 9.783 -6.115 1.00 0.00 H new ATOM 0 HB VAL A 29 -6.826 8.155 -4.265 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -8.799 9.144 -5.372 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -7.882 10.350 -4.439 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -7.738 10.300 -6.212 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -7.655 7.204 -6.388 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -6.528 8.249 -7.287 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -5.898 6.988 -6.200 1.00 0.00 H new ATOM 219 N LYS A 30 -5.328 10.490 -2.924 1.00 0.00 N ATOM 220 CA LYS A 30 -5.377 11.587 -1.972 1.00 0.00 C ATOM 221 C LYS A 30 -4.116 12.441 -2.120 1.00 0.00 C ATOM 222 O LYS A 30 -4.177 13.666 -2.020 1.00 0.00 O ATOM 223 CB LYS A 30 -5.595 11.056 -0.554 1.00 0.00 C ATOM 224 CG LYS A 30 -7.014 10.510 -0.385 1.00 0.00 C ATOM 225 CD LYS A 30 -7.168 9.784 0.952 1.00 0.00 C ATOM 226 CE LYS A 30 -7.519 10.767 2.072 1.00 0.00 C ATOM 227 NZ LYS A 30 -8.978 11.015 2.102 1.00 0.00 N ATOM 0 H LYS A 30 -5.212 9.567 -2.506 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.229 12.234 -2.181 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -4.871 10.269 -0.341 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -5.420 11.854 0.168 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -7.731 11.329 -0.443 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.244 9.826 -1.202 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.947 9.026 0.871 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.242 9.264 1.196 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -7.192 10.367 3.032 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.987 11.706 1.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -9.218 11.573 2.946 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -9.259 11.539 1.249 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -9.484 10.107 2.132 1.00 0.00 H new ATOM 228 N GLY A 31 -3.005 11.762 -2.357 1.00 0.00 N ATOM 229 CA GLY A 31 -1.731 12.444 -2.520 1.00 0.00 C ATOM 230 C GLY A 31 -1.755 13.363 -3.743 1.00 0.00 C ATOM 231 O GLY A 31 -1.224 14.472 -3.701 1.00 0.00 O ATOM 0 H GLY A 31 -2.959 10.746 -2.440 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -1.510 13.027 -1.626 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -0.932 11.710 -2.628 1.00 0.00 H new ATOM 232 N MET A 32 -2.374 12.866 -4.804 1.00 0.00 N ATOM 233 CA MET A 32 -2.472 13.629 -6.036 1.00 0.00 C ATOM 234 C MET A 32 -3.543 14.716 -5.925 1.00 0.00 C ATOM 235 O MET A 32 -3.416 15.782 -6.527 1.00 0.00 O ATOM 236 CB MET A 32 -2.819 12.688 -7.193 1.00 0.00 C ATOM 237 CG MET A 32 -1.644 11.764 -7.518 1.00 0.00 C ATOM 238 SD MET A 32 -0.393 12.662 -8.421 1.00 0.00 S ATOM 239 CE MET A 32 0.846 11.388 -8.587 1.00 0.00 C ATOM 0 H MET A 32 -2.812 11.945 -4.836 1.00 0.00 H new ATOM 0 HA MET A 32 -1.511 14.109 -6.221 1.00 0.00 H new ATOM 0 HB2 MET A 32 -3.694 12.092 -6.932 1.00 0.00 H new ATOM 0 HB3 MET A 32 -3.082 13.272 -8.075 1.00 0.00 H new ATOM 0 HG2 MET A 32 -1.221 11.362 -6.597 1.00 0.00 H new ATOM 0 HG3 MET A 32 -1.990 10.915 -8.107 1.00 0.00 H new ATOM 0 HE1 MET A 32 1.703 11.783 -9.132 1.00 0.00 H new ATOM 0 HE2 MET A 32 1.165 11.059 -7.598 1.00 0.00 H new ATOM 0 HE3 MET A 32 0.428 10.542 -9.133 1.00 0.00 H new ATOM 240 N GLY A 33 -4.573 14.410 -5.152 1.00 0.00 N ATOM 241 CA GLY A 33 -5.666 15.348 -4.952 1.00 0.00 C ATOM 242 C GLY A 33 -5.186 16.600 -4.218 1.00 0.00 C ATOM 243 O GLY A 33 -5.426 17.719 -4.669 1.00 0.00 O ATOM 0 H GLY A 33 -4.675 13.525 -4.655 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -6.091 15.628 -5.916 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -6.461 14.869 -4.380 1.00 0.00 H new ATOM 244 N VAL A 34 -4.516 16.371 -3.098 1.00 0.00 N ATOM 245 CA VAL A 34 -3.999 17.467 -2.297 1.00 0.00 C ATOM 246 C VAL A 34 -2.756 18.047 -2.974 1.00 0.00 C ATOM 247 O VAL A 34 -2.001 17.322 -3.619 1.00 0.00 O ATOM 248 CB VAL A 34 -3.734 16.990 -0.868 1.00 0.00 C ATOM 249 CG1 VAL A 34 -2.400 16.246 -0.776 1.00 0.00 C ATOM 250 CG2 VAL A 34 -3.778 18.159 0.118 1.00 0.00 C ATOM 0 H VAL A 34 -4.319 15.442 -2.726 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.734 18.269 -2.227 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.526 16.292 -0.596 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.236 15.918 0.250 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.421 15.378 -1.435 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -1.591 16.911 -1.078 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -3.586 17.792 1.126 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.017 18.892 -0.152 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -4.762 18.627 0.083 1.00 0.00 H new ATOM 251 N PRO A 37 11.763 20.094 3.170 1.00 0.00 N ATOM 252 CA PRO A 37 12.286 19.199 2.151 1.00 0.00 C ATOM 253 C PRO A 37 11.970 17.741 2.488 1.00 0.00 C ATOM 254 O PRO A 37 11.882 16.898 1.596 1.00 0.00 O ATOM 255 CB PRO A 37 13.778 19.488 2.104 1.00 0.00 C ATOM 256 CG PRO A 37 14.107 20.192 3.409 1.00 0.00 C ATOM 257 CD PRO A 37 12.801 20.627 4.050 1.00 0.00 C ATOM 0 HA PRO A 37 11.831 19.361 1.174 1.00 0.00 H new ATOM 0 HB2 PRO A 37 14.351 18.567 2.002 1.00 0.00 H new ATOM 0 HB3 PRO A 37 14.028 20.115 1.248 1.00 0.00 H new ATOM 0 HG2 PRO A 37 14.654 19.524 4.075 1.00 0.00 H new ATOM 0 HG3 PRO A 37 14.747 21.055 3.226 1.00 0.00 H new ATOM 0 HD2 PRO A 37 12.705 20.232 5.061 1.00 0.00 H new ATOM 0 HD3 PRO A 37 12.738 21.713 4.125 1.00 0.00 H new ATOM 258 N ASP A 38 11.807 17.486 3.779 1.00 0.00 N ATOM 259 CA ASP A 38 11.503 16.145 4.244 1.00 0.00 C ATOM 260 C ASP A 38 10.004 16.037 4.532 1.00 0.00 C ATOM 261 O ASP A 38 9.465 14.936 4.631 1.00 0.00 O ATOM 262 CB ASP A 38 12.257 15.825 5.537 1.00 0.00 C ATOM 263 CG ASP A 38 11.916 16.728 6.725 1.00 0.00 C ATOM 264 OD1 ASP A 38 11.947 17.964 6.617 1.00 0.00 O ATOM 265 OD2 ASP A 38 11.599 16.246 7.823 1.00 0.00 O ATOM 0 H ASP A 38 11.880 18.187 4.517 1.00 0.00 H new ATOM 0 HA ASP A 38 11.806 15.443 3.467 1.00 0.00 H new ATOM 0 HB2 ASP A 38 12.050 14.791 5.814 1.00 0.00 H new ATOM 0 HB3 ASP A 38 13.327 15.895 5.342 1.00 0.00 H new ATOM 266 N ALA A 39 9.374 17.196 4.660 1.00 0.00 N ATOM 267 CA ALA A 39 7.948 17.246 4.935 1.00 0.00 C ATOM 268 C ALA A 39 7.175 16.960 3.646 1.00 0.00 C ATOM 269 O ALA A 39 6.064 16.435 3.689 1.00 0.00 O ATOM 270 CB ALA A 39 7.592 18.605 5.540 1.00 0.00 C ATOM 0 H ALA A 39 9.825 18.107 4.578 1.00 0.00 H new ATOM 0 HA ALA A 39 7.670 16.483 5.662 1.00 0.00 H new ATOM 0 HB1 ALA A 39 6.522 18.642 5.746 1.00 0.00 H new ATOM 0 HB2 ALA A 39 8.146 18.746 6.468 1.00 0.00 H new ATOM 0 HB3 ALA A 39 7.854 19.396 4.837 1.00 0.00 H new ATOM 271 N LYS A 40 7.794 17.320 2.531 1.00 0.00 N ATOM 272 CA LYS A 40 7.177 17.108 1.232 1.00 0.00 C ATOM 273 C LYS A 40 7.396 15.657 0.797 1.00 0.00 C ATOM 274 O LYS A 40 6.639 15.126 -0.013 1.00 0.00 O ATOM 275 CB LYS A 40 7.691 18.136 0.222 1.00 0.00 C ATOM 276 CG LYS A 40 9.085 17.758 -0.284 1.00 0.00 C ATOM 277 CD LYS A 40 9.659 18.857 -1.181 1.00 0.00 C ATOM 278 CE LYS A 40 11.071 18.499 -1.649 1.00 0.00 C ATOM 279 NZ LYS A 40 11.021 17.479 -2.720 1.00 0.00 N ATOM 0 H LYS A 40 8.715 17.757 2.500 1.00 0.00 H new ATOM 0 HA LYS A 40 6.100 17.263 1.292 1.00 0.00 H new ATOM 0 HB2 LYS A 40 7.000 18.202 -0.619 1.00 0.00 H new ATOM 0 HB3 LYS A 40 7.723 19.122 0.686 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.750 17.590 0.563 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.033 16.821 -0.839 1.00 0.00 H new ATOM 0 HD2 LYS A 40 9.011 19.002 -2.045 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.680 19.801 -0.637 1.00 0.00 H new ATOM 0 HE2 LYS A 40 11.577 19.393 -2.014 1.00 0.00 H new ATOM 0 HE3 LYS A 40 11.654 18.123 -0.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 11.987 17.261 -3.037 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.573 16.614 -2.355 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.468 17.844 -3.522 1.00 0.00 H new ATOM 280 N LYS A 41 8.436 15.056 1.356 1.00 0.00 N ATOM 281 CA LYS A 41 8.764 13.678 1.037 1.00 0.00 C ATOM 282 C LYS A 41 7.990 12.744 1.971 1.00 0.00 C ATOM 283 O LYS A 41 7.758 11.583 1.640 1.00 0.00 O ATOM 284 CB LYS A 41 10.280 13.465 1.074 1.00 0.00 C ATOM 285 CG LYS A 41 10.965 14.214 -0.070 1.00 0.00 C ATOM 286 CD LYS A 41 12.478 13.985 -0.046 1.00 0.00 C ATOM 287 CE LYS A 41 13.191 14.926 -1.017 1.00 0.00 C ATOM 288 NZ LYS A 41 12.910 14.540 -2.417 1.00 0.00 N ATOM 0 H LYS A 41 9.062 15.499 2.028 1.00 0.00 H new ATOM 0 HA LYS A 41 8.456 13.440 0.019 1.00 0.00 H new ATOM 0 HB2 LYS A 41 10.676 13.810 2.029 1.00 0.00 H new ATOM 0 HB3 LYS A 41 10.503 12.401 1.002 1.00 0.00 H new ATOM 0 HG2 LYS A 41 10.558 13.879 -1.024 1.00 0.00 H new ATOM 0 HG3 LYS A 41 10.753 15.280 0.010 1.00 0.00 H new ATOM 0 HD2 LYS A 41 12.857 14.143 0.964 1.00 0.00 H new ATOM 0 HD3 LYS A 41 12.697 12.950 -0.310 1.00 0.00 H new ATOM 0 HE2 LYS A 41 12.864 15.951 -0.844 1.00 0.00 H new ATOM 0 HE3 LYS A 41 14.265 14.899 -0.835 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 13.403 15.190 -3.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 13.244 13.569 -2.583 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 11.886 14.589 -2.592 1.00 0.00 H new ATOM 289 N PHE A 42 7.612 13.287 3.119 1.00 0.00 N ATOM 290 CA PHE A 42 6.870 12.517 4.102 1.00 0.00 C ATOM 291 C PHE A 42 5.575 11.965 3.501 1.00 0.00 C ATOM 292 O PHE A 42 5.146 10.865 3.848 1.00 0.00 O ATOM 293 CB PHE A 42 6.521 13.473 5.246 1.00 0.00 C ATOM 294 CG PHE A 42 5.663 12.840 6.344 1.00 0.00 C ATOM 295 CD1 PHE A 42 6.244 12.059 7.294 1.00 0.00 C ATOM 296 CD2 PHE A 42 4.263 13.068 6.371 1.00 0.00 C ATOM 297 CE1 PHE A 42 5.448 11.472 8.314 1.00 0.00 C ATOM 298 CE2 PHE A 42 3.501 12.505 7.348 1.00 0.00 C ATOM 299 CZ PHE A 42 4.106 11.691 8.339 1.00 0.00 C ATOM 0 H PHE A 42 7.806 14.251 3.390 1.00 0.00 H new ATOM 0 HA PHE A 42 7.469 11.673 4.445 1.00 0.00 H new ATOM 0 HB2 PHE A 42 7.444 13.845 5.690 1.00 0.00 H new ATOM 0 HB3 PHE A 42 5.993 14.335 4.838 1.00 0.00 H new ATOM 0 HD1 PHE A 42 7.310 11.885 7.273 1.00 0.00 H new ATOM 0 HD2 PHE A 42 3.802 13.688 5.616 1.00 0.00 H new ATOM 0 HE1 PHE A 42 5.908 10.852 9.069 1.00 0.00 H new ATOM 0 HE2 PHE A 42 2.435 12.678 7.369 1.00 0.00 H new ATOM 0 HZ PHE A 42 3.501 11.245 9.114 1.00 0.00 H new ATOM 300 N TYR A 43 4.990 12.754 2.612 1.00 0.00 N ATOM 301 CA TYR A 43 3.752 12.356 1.961 1.00 0.00 C ATOM 302 C TYR A 43 4.001 11.236 0.950 1.00 0.00 C ATOM 303 O TYR A 43 3.206 10.302 0.844 1.00 0.00 O ATOM 304 CB TYR A 43 3.252 13.596 1.217 1.00 0.00 C ATOM 305 CG TYR A 43 3.037 14.816 2.113 1.00 0.00 C ATOM 306 CD1 TYR A 43 2.344 14.692 3.277 1.00 0.00 C ATOM 307 CD2 TYR A 43 3.570 16.097 1.726 1.00 0.00 C ATOM 308 CE1 TYR A 43 2.143 15.841 4.121 1.00 0.00 C ATOM 309 CE2 TYR A 43 3.380 17.183 2.523 1.00 0.00 C ATOM 310 CZ TYR A 43 2.646 17.050 3.755 1.00 0.00 C ATOM 311 OH TYR A 43 2.455 18.135 4.553 1.00 0.00 O ATOM 0 H TYR A 43 5.349 13.665 2.327 1.00 0.00 H new ATOM 0 HA TYR A 43 3.033 11.988 2.693 1.00 0.00 H new ATOM 0 HB2 TYR A 43 3.969 13.853 0.437 1.00 0.00 H new ATOM 0 HB3 TYR A 43 2.313 13.354 0.719 1.00 0.00 H new ATOM 0 HD1 TYR A 43 1.945 13.732 3.568 1.00 0.00 H new ATOM 0 HD2 TYR A 43 4.121 16.195 0.802 1.00 0.00 H new ATOM 0 HE1 TYR A 43 1.593 15.743 5.045 1.00 0.00 H new ATOM 0 HE2 TYR A 43 3.779 18.144 2.232 1.00 0.00 H new ATOM 0 HH TYR A 43 2.879 18.919 4.146 1.00 0.00 H new ATOM 312 N ALA A 44 5.108 11.364 0.232 1.00 0.00 N ATOM 313 CA ALA A 44 5.470 10.372 -0.767 1.00 0.00 C ATOM 314 C ALA A 44 5.827 9.058 -0.069 1.00 0.00 C ATOM 315 O ALA A 44 5.568 7.979 -0.599 1.00 0.00 O ATOM 316 CB ALA A 44 6.618 10.908 -1.624 1.00 0.00 C ATOM 0 H ALA A 44 5.765 12.139 0.322 1.00 0.00 H new ATOM 0 HA ALA A 44 4.631 10.173 -1.433 1.00 0.00 H new ATOM 0 HB1 ALA A 44 6.890 10.165 -2.373 1.00 0.00 H new ATOM 0 HB2 ALA A 44 6.303 11.826 -2.121 1.00 0.00 H new ATOM 0 HB3 ALA A 44 7.480 11.116 -0.989 1.00 0.00 H new ATOM 317 N ILE A 45 6.417 9.193 1.110 1.00 0.00 N ATOM 318 CA ILE A 45 6.813 8.030 1.885 1.00 0.00 C ATOM 319 C ILE A 45 5.560 7.285 2.356 1.00 0.00 C ATOM 320 O ILE A 45 5.484 6.062 2.252 1.00 0.00 O ATOM 321 CB ILE A 45 7.748 8.438 3.025 1.00 0.00 C ATOM 322 CG1 ILE A 45 9.142 8.778 2.494 1.00 0.00 C ATOM 323 CG2 ILE A 45 7.793 7.360 4.111 1.00 0.00 C ATOM 324 CD1 ILE A 45 9.895 9.683 3.471 1.00 0.00 C ATOM 0 H ILE A 45 6.630 10.090 1.547 1.00 0.00 H new ATOM 0 HA ILE A 45 7.384 7.338 1.266 1.00 0.00 H new ATOM 0 HB ILE A 45 7.350 9.342 3.487 1.00 0.00 H new ATOM 0 HG12 ILE A 45 9.708 7.860 2.333 1.00 0.00 H new ATOM 0 HG13 ILE A 45 9.056 9.273 1.527 1.00 0.00 H new ATOM 0 HG21 ILE A 45 8.465 7.675 4.909 1.00 0.00 H new ATOM 0 HG22 ILE A 45 6.792 7.210 4.517 1.00 0.00 H new ATOM 0 HG23 ILE A 45 8.154 6.425 3.681 1.00 0.00 H new ATOM 0 HD11 ILE A 45 10.883 9.910 3.070 1.00 0.00 H new ATOM 0 HD12 ILE A 45 9.339 10.610 3.611 1.00 0.00 H new ATOM 0 HD13 ILE A 45 10.001 9.175 4.430 1.00 0.00 H new ATOM 325 N THR A 46 4.609 8.055 2.865 1.00 0.00 N ATOM 326 CA THR A 46 3.365 7.485 3.351 1.00 0.00 C ATOM 327 C THR A 46 2.523 6.967 2.184 1.00 0.00 C ATOM 328 O THR A 46 1.584 6.199 2.385 1.00 0.00 O ATOM 329 CB THR A 46 2.653 8.550 4.188 1.00 0.00 C ATOM 330 OG1 THR A 46 2.936 9.771 3.511 1.00 0.00 O ATOM 331 CG2 THR A 46 3.289 8.732 5.569 1.00 0.00 C ATOM 0 H THR A 46 4.676 9.069 2.951 1.00 0.00 H new ATOM 0 HA THR A 46 3.549 6.619 3.987 1.00 0.00 H new ATOM 0 HB THR A 46 1.604 8.278 4.305 1.00 0.00 H new ATOM 0 HG1 THR A 46 3.625 10.265 4.002 1.00 0.00 H new ATOM 0 HG21 THR A 46 2.746 9.499 6.122 1.00 0.00 H new ATOM 0 HG22 THR A 46 3.245 7.791 6.117 1.00 0.00 H new ATOM 0 HG23 THR A 46 4.329 9.037 5.453 1.00 0.00 H new ATOM 332 N THR A 47 2.890 7.408 0.989 1.00 0.00 N ATOM 333 CA THR A 47 2.180 6.999 -0.210 1.00 0.00 C ATOM 334 C THR A 47 2.835 5.756 -0.818 1.00 0.00 C ATOM 335 O THR A 47 2.202 5.028 -1.581 1.00 0.00 O ATOM 336 CB THR A 47 2.138 8.193 -1.165 1.00 0.00 C ATOM 337 OG1 THR A 47 1.318 9.145 -0.494 1.00 0.00 O ATOM 338 CG2 THR A 47 1.373 7.884 -2.454 1.00 0.00 C ATOM 0 H THR A 47 3.670 8.045 0.826 1.00 0.00 H new ATOM 0 HA THR A 47 1.154 6.710 0.016 1.00 0.00 H new ATOM 0 HB THR A 47 3.155 8.498 -1.411 1.00 0.00 H new ATOM 0 HG21 THR A 47 1.373 8.764 -3.097 1.00 0.00 H new ATOM 0 HG22 THR A 47 1.855 7.055 -2.973 1.00 0.00 H new ATOM 0 HG23 THR A 47 0.346 7.612 -2.211 1.00 0.00 H new ATOM 339 N LEU A 48 4.094 5.553 -0.458 1.00 0.00 N ATOM 340 CA LEU A 48 4.840 4.412 -0.958 1.00 0.00 C ATOM 341 C LEU A 48 4.906 3.335 0.126 1.00 0.00 C ATOM 342 O LEU A 48 5.453 2.257 -0.098 1.00 0.00 O ATOM 343 CB LEU A 48 6.214 4.853 -1.470 1.00 0.00 C ATOM 344 CG LEU A 48 6.158 5.145 -2.971 1.00 0.00 C ATOM 345 CD1 LEU A 48 6.055 3.850 -3.779 1.00 0.00 C ATOM 346 CD2 LEU A 48 5.022 6.117 -3.297 1.00 0.00 C ATOM 0 H LEU A 48 4.616 6.160 0.174 1.00 0.00 H new ATOM 0 HA LEU A 48 4.331 3.971 -1.815 1.00 0.00 H new ATOM 0 HB2 LEU A 48 6.540 5.743 -0.932 1.00 0.00 H new ATOM 0 HB3 LEU A 48 6.950 4.073 -1.272 1.00 0.00 H new ATOM 0 HG LEU A 48 7.090 5.630 -3.260 1.00 0.00 H new ATOM 0 HD11 LEU A 48 6.017 4.087 -4.842 1.00 0.00 H new ATOM 0 HD12 LEU A 48 6.925 3.225 -3.577 1.00 0.00 H new ATOM 0 HD13 LEU A 48 5.150 3.314 -3.494 1.00 0.00 H new ATOM 0 HD21 LEU A 48 5.004 6.308 -4.370 1.00 0.00 H new ATOM 0 HD22 LEU A 48 4.071 5.682 -2.990 1.00 0.00 H new ATOM 0 HD23 LEU A 48 5.181 7.054 -2.764 1.00 0.00 H new ATOM 347 N VAL A 49 4.339 3.666 1.278 1.00 0.00 N ATOM 348 CA VAL A 49 4.326 2.739 2.398 1.00 0.00 C ATOM 349 C VAL A 49 3.485 1.514 2.032 1.00 0.00 C ATOM 350 O VAL A 49 3.925 0.380 2.207 1.00 0.00 O ATOM 351 CB VAL A 49 3.830 3.451 3.658 1.00 0.00 C ATOM 352 CG1 VAL A 49 2.897 2.546 4.468 1.00 0.00 C ATOM 353 CG2 VAL A 49 5.004 3.932 4.513 1.00 0.00 C ATOM 0 H VAL A 49 3.886 4.562 1.460 1.00 0.00 H new ATOM 0 HA VAL A 49 5.334 2.386 2.615 1.00 0.00 H new ATOM 0 HB VAL A 49 3.261 4.327 3.346 1.00 0.00 H new ATOM 0 HG11 VAL A 49 2.559 3.076 5.358 1.00 0.00 H new ATOM 0 HG12 VAL A 49 2.035 2.273 3.859 1.00 0.00 H new ATOM 0 HG13 VAL A 49 3.432 1.644 4.764 1.00 0.00 H new ATOM 0 HG21 VAL A 49 4.624 4.435 5.403 1.00 0.00 H new ATOM 0 HG22 VAL A 49 5.612 3.077 4.811 1.00 0.00 H new ATOM 0 HG23 VAL A 49 5.614 4.627 3.936 1.00 0.00 H new ATOM 354 N PRO A 50 2.257 1.793 1.517 1.00 0.00 N ATOM 355 CA PRO A 50 1.350 0.728 1.124 1.00 0.00 C ATOM 356 C PRO A 50 1.795 0.087 -0.192 1.00 0.00 C ATOM 357 O PRO A 50 1.398 -1.035 -0.504 1.00 0.00 O ATOM 358 CB PRO A 50 -0.015 1.389 1.032 1.00 0.00 C ATOM 359 CG PRO A 50 0.250 2.881 0.921 1.00 0.00 C ATOM 360 CD PRO A 50 1.703 3.126 1.295 1.00 0.00 C ATOM 0 HA PRO A 50 1.332 -0.095 1.838 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -0.567 1.025 0.166 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -0.618 1.164 1.912 1.00 0.00 H new ATOM 0 HG2 PRO A 50 0.053 3.229 -0.093 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -0.414 3.437 1.583 1.00 0.00 H new ATOM 0 HD2 PRO A 50 2.234 3.648 0.499 1.00 0.00 H new ATOM 0 HD3 PRO A 50 1.783 3.743 2.190 1.00 0.00 H new ATOM 361 N ALA A 51 2.611 0.826 -0.928 1.00 0.00 N ATOM 362 CA ALA A 51 3.113 0.344 -2.202 1.00 0.00 C ATOM 363 C ALA A 51 4.177 -0.728 -1.955 1.00 0.00 C ATOM 364 O ALA A 51 4.190 -1.761 -2.621 1.00 0.00 O ATOM 365 CB ALA A 51 3.651 1.521 -3.017 1.00 0.00 C ATOM 0 H ALA A 51 2.937 1.756 -0.666 1.00 0.00 H new ATOM 0 HA ALA A 51 2.311 -0.115 -2.781 1.00 0.00 H new ATOM 0 HB1 ALA A 51 4.028 1.159 -3.974 1.00 0.00 H new ATOM 0 HB2 ALA A 51 2.850 2.239 -3.191 1.00 0.00 H new ATOM 0 HB3 ALA A 51 4.459 2.004 -2.468 1.00 0.00 H new ATOM 366 N ILE A 52 5.043 -0.444 -0.993 1.00 0.00 N ATOM 367 CA ILE A 52 6.109 -1.370 -0.648 1.00 0.00 C ATOM 368 C ILE A 52 5.514 -2.575 0.085 1.00 0.00 C ATOM 369 O ILE A 52 5.958 -3.704 -0.109 1.00 0.00 O ATOM 370 CB ILE A 52 7.207 -0.655 0.139 1.00 0.00 C ATOM 371 CG1 ILE A 52 7.934 0.367 -0.739 1.00 0.00 C ATOM 372 CG2 ILE A 52 8.174 -1.659 0.770 1.00 0.00 C ATOM 373 CD1 ILE A 52 9.011 -0.309 -1.590 1.00 0.00 C ATOM 0 H ILE A 52 5.028 0.414 -0.442 1.00 0.00 H new ATOM 0 HA ILE A 52 6.590 -1.749 -1.550 1.00 0.00 H new ATOM 0 HB ILE A 52 6.738 -0.104 0.955 1.00 0.00 H new ATOM 0 HG12 ILE A 52 7.217 0.871 -1.387 1.00 0.00 H new ATOM 0 HG13 ILE A 52 8.389 1.133 -0.111 1.00 0.00 H new ATOM 0 HG21 ILE A 52 8.945 -1.123 1.324 1.00 0.00 H new ATOM 0 HG22 ILE A 52 7.627 -2.313 1.449 1.00 0.00 H new ATOM 0 HG23 ILE A 52 8.640 -2.257 -0.013 1.00 0.00 H new ATOM 0 HD11 ILE A 52 9.512 0.439 -2.204 1.00 0.00 H new ATOM 0 HD12 ILE A 52 9.740 -0.791 -0.939 1.00 0.00 H new ATOM 0 HD13 ILE A 52 8.549 -1.057 -2.234 1.00 0.00 H new ATOM 374 N ALA A 53 4.518 -2.291 0.912 1.00 0.00 N ATOM 375 CA ALA A 53 3.858 -3.336 1.675 1.00 0.00 C ATOM 376 C ALA A 53 3.169 -4.307 0.712 1.00 0.00 C ATOM 377 O ALA A 53 3.241 -5.522 0.892 1.00 0.00 O ATOM 378 CB ALA A 53 2.878 -2.705 2.665 1.00 0.00 C ATOM 0 H ALA A 53 4.152 -1.352 1.070 1.00 0.00 H new ATOM 0 HA ALA A 53 4.585 -3.905 2.254 1.00 0.00 H new ATOM 0 HB1 ALA A 53 2.383 -3.490 3.237 1.00 0.00 H new ATOM 0 HB2 ALA A 53 3.420 -2.047 3.344 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.131 -2.128 2.120 1.00 0.00 H new ATOM 379 N PHE A 54 2.517 -3.734 -0.289 1.00 0.00 N ATOM 380 CA PHE A 54 1.817 -4.532 -1.280 1.00 0.00 C ATOM 381 C PHE A 54 2.801 -5.344 -2.127 1.00 0.00 C ATOM 382 O PHE A 54 2.531 -6.495 -2.466 1.00 0.00 O ATOM 383 CB PHE A 54 1.065 -3.559 -2.189 1.00 0.00 C ATOM 384 CG PHE A 54 0.414 -4.219 -3.407 1.00 0.00 C ATOM 385 CD1 PHE A 54 -0.778 -4.862 -3.277 1.00 0.00 C ATOM 386 CD2 PHE A 54 1.055 -4.161 -4.672 1.00 0.00 C ATOM 387 CE1 PHE A 54 -1.380 -5.475 -4.406 1.00 0.00 C ATOM 388 CE2 PHE A 54 0.478 -4.748 -5.755 1.00 0.00 C ATOM 389 CZ PHE A 54 -0.765 -5.419 -5.619 1.00 0.00 C ATOM 0 H PHE A 54 2.459 -2.726 -0.435 1.00 0.00 H new ATOM 0 HA PHE A 54 1.143 -5.230 -0.784 1.00 0.00 H new ATOM 0 HB2 PHE A 54 0.294 -3.056 -1.606 1.00 0.00 H new ATOM 0 HB3 PHE A 54 1.757 -2.790 -2.532 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -1.266 -4.906 -2.314 1.00 0.00 H new ATOM 0 HD2 PHE A 54 2.001 -3.651 -4.775 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -2.326 -5.986 -4.303 1.00 0.00 H new ATOM 0 HE2 PHE A 54 0.966 -4.703 -6.718 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.223 -5.886 -6.478 1.00 0.00 H new ATOM 390 N THR A 55 3.922 -4.712 -2.441 1.00 0.00 N ATOM 391 CA THR A 55 4.947 -5.361 -3.241 1.00 0.00 C ATOM 392 C THR A 55 5.515 -6.572 -2.499 1.00 0.00 C ATOM 393 O THR A 55 5.705 -7.634 -3.091 1.00 0.00 O ATOM 394 CB THR A 55 6.005 -4.313 -3.593 1.00 0.00 C ATOM 395 OG1 THR A 55 5.306 -3.373 -4.405 1.00 0.00 O ATOM 396 CG2 THR A 55 7.092 -4.867 -4.515 1.00 0.00 C ATOM 0 H THR A 55 4.143 -3.758 -2.156 1.00 0.00 H new ATOM 0 HA THR A 55 4.535 -5.753 -4.171 1.00 0.00 H new ATOM 0 HB THR A 55 6.462 -3.937 -2.678 1.00 0.00 H new ATOM 0 HG1 THR A 55 4.998 -2.627 -3.850 1.00 0.00 H new ATOM 0 HG21 THR A 55 7.817 -4.083 -4.734 1.00 0.00 H new ATOM 0 HG22 THR A 55 7.595 -5.700 -4.025 1.00 0.00 H new ATOM 0 HG23 THR A 55 6.639 -5.213 -5.444 1.00 0.00 H new ATOM 397 N MET A 56 5.770 -6.373 -1.214 1.00 0.00 N ATOM 398 CA MET A 56 6.313 -7.436 -0.385 1.00 0.00 C ATOM 399 C MET A 56 5.310 -8.581 -0.236 1.00 0.00 C ATOM 400 O MET A 56 5.677 -9.751 -0.342 1.00 0.00 O ATOM 401 CB MET A 56 6.660 -6.879 0.997 1.00 0.00 C ATOM 402 CG MET A 56 7.948 -6.056 0.948 1.00 0.00 C ATOM 403 SD MET A 56 8.173 -5.179 2.488 1.00 0.00 S ATOM 404 CE MET A 56 8.861 -6.487 3.490 1.00 0.00 C ATOM 0 H MET A 56 5.611 -5.491 -0.727 1.00 0.00 H new ATOM 0 HA MET A 56 7.211 -7.824 -0.866 1.00 0.00 H new ATOM 0 HB2 MET A 56 5.841 -6.258 1.359 1.00 0.00 H new ATOM 0 HB3 MET A 56 6.775 -7.699 1.705 1.00 0.00 H new ATOM 0 HG2 MET A 56 8.800 -6.710 0.765 1.00 0.00 H new ATOM 0 HG3 MET A 56 7.906 -5.348 0.120 1.00 0.00 H new ATOM 0 HE1 MET A 56 9.080 -6.105 4.487 1.00 0.00 H new ATOM 0 HE2 MET A 56 8.144 -7.304 3.564 1.00 0.00 H new ATOM 0 HE3 MET A 56 9.780 -6.851 3.031 1.00 0.00 H new ATOM 405 N TYR A 57 4.062 -8.206 0.007 1.00 0.00 N ATOM 406 CA TYR A 57 3.004 -9.187 0.172 1.00 0.00 C ATOM 407 C TYR A 57 2.776 -9.971 -1.122 1.00 0.00 C ATOM 408 O TYR A 57 2.502 -11.169 -1.087 1.00 0.00 O ATOM 409 CB TYR A 57 1.738 -8.392 0.500 1.00 0.00 C ATOM 410 CG TYR A 57 0.471 -9.244 0.581 1.00 0.00 C ATOM 411 CD1 TYR A 57 0.174 -9.981 1.783 1.00 0.00 C ATOM 412 CD2 TYR A 57 -0.375 -9.309 -0.481 1.00 0.00 C ATOM 413 CE1 TYR A 57 -0.953 -10.738 1.854 1.00 0.00 C ATOM 414 CE2 TYR A 57 -1.568 -10.110 -0.405 1.00 0.00 C ATOM 415 CZ TYR A 57 -1.849 -10.805 0.729 1.00 0.00 C ATOM 416 OH TYR A 57 -2.975 -11.564 0.800 1.00 0.00 O ATOM 0 H TYR A 57 3.761 -7.235 0.093 1.00 0.00 H new ATOM 0 HA TYR A 57 3.263 -9.902 0.953 1.00 0.00 H new ATOM 0 HB2 TYR A 57 1.880 -7.879 1.451 1.00 0.00 H new ATOM 0 HB3 TYR A 57 1.598 -7.622 -0.259 1.00 0.00 H new ATOM 0 HD1 TYR A 57 0.846 -9.932 2.627 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -0.151 -8.759 -1.383 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -1.176 -11.290 2.755 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -2.240 -10.159 -1.249 1.00 0.00 H new ATOM 417 N LEU A 58 2.901 -9.263 -2.236 1.00 0.00 N ATOM 418 CA LEU A 58 2.713 -9.877 -3.539 1.00 0.00 C ATOM 419 C LEU A 58 3.842 -10.878 -3.794 1.00 0.00 C ATOM 420 O LEU A 58 3.602 -11.971 -4.304 1.00 0.00 O ATOM 421 CB LEU A 58 2.587 -8.805 -4.624 1.00 0.00 C ATOM 422 CG LEU A 58 2.281 -9.446 -5.978 1.00 0.00 C ATOM 423 CD1 LEU A 58 1.142 -8.712 -6.688 1.00 0.00 C ATOM 424 CD2 LEU A 58 3.541 -9.525 -6.844 1.00 0.00 C ATOM 0 H LEU A 58 3.130 -8.269 -2.262 1.00 0.00 H new ATOM 0 HA LEU A 58 1.778 -10.436 -3.565 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.796 -8.104 -4.360 1.00 0.00 H new ATOM 0 HB3 LEU A 58 3.512 -8.233 -4.687 1.00 0.00 H new ATOM 0 HG LEU A 58 1.945 -10.468 -5.804 1.00 0.00 H new ATOM 0 HD11 LEU A 58 0.945 -9.188 -7.648 1.00 0.00 H new ATOM 0 HD12 LEU A 58 0.244 -8.752 -6.072 1.00 0.00 H new ATOM 0 HD13 LEU A 58 1.425 -7.672 -6.850 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.296 -9.985 -7.801 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.930 -8.521 -7.013 1.00 0.00 H new ATOM 0 HD23 LEU A 58 4.295 -10.126 -6.335 1.00 0.00 H new ATOM 425 N SER A 59 5.048 -10.468 -3.427 1.00 0.00 N ATOM 426 CA SER A 59 6.213 -11.316 -3.609 1.00 0.00 C ATOM 427 C SER A 59 6.070 -12.589 -2.773 1.00 0.00 C ATOM 428 O SER A 59 6.418 -13.677 -3.227 1.00 0.00 O ATOM 429 CB SER A 59 7.497 -10.574 -3.231 1.00 0.00 C ATOM 430 OG SER A 59 8.659 -11.367 -3.460 1.00 0.00 O ATOM 0 H SER A 59 5.243 -9.560 -3.005 1.00 0.00 H new ATOM 0 HA SER A 59 6.278 -11.587 -4.663 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.567 -9.653 -3.809 1.00 0.00 H new ATOM 0 HB3 SER A 59 7.455 -10.288 -2.180 1.00 0.00 H new ATOM 0 HG SER A 59 9.457 -10.858 -3.208 1.00 0.00 H new ATOM 431 N MET A 60 5.558 -12.410 -1.563 1.00 0.00 N ATOM 432 CA MET A 60 5.365 -13.531 -0.659 1.00 0.00 C ATOM 433 C MET A 60 4.305 -14.493 -1.197 1.00 0.00 C ATOM 434 O MET A 60 4.502 -15.708 -1.190 1.00 0.00 O ATOM 435 CB MET A 60 4.934 -13.012 0.714 1.00 0.00 C ATOM 436 CG MET A 60 6.119 -12.410 1.470 1.00 0.00 C ATOM 437 SD MET A 60 7.114 -13.710 2.181 1.00 0.00 S ATOM 438 CE MET A 60 8.392 -12.734 2.957 1.00 0.00 C ATOM 0 H MET A 60 5.271 -11.506 -1.188 1.00 0.00 H new ATOM 0 HA MET A 60 6.308 -14.071 -0.573 1.00 0.00 H new ATOM 0 HB2 MET A 60 4.155 -12.259 0.594 1.00 0.00 H new ATOM 0 HB3 MET A 60 4.503 -13.827 1.296 1.00 0.00 H new ATOM 0 HG2 MET A 60 6.724 -11.807 0.793 1.00 0.00 H new ATOM 0 HG3 MET A 60 5.760 -11.745 2.255 1.00 0.00 H new ATOM 0 HE1 MET A 60 9.104 -13.394 3.452 1.00 0.00 H new ATOM 0 HE2 MET A 60 8.909 -12.144 2.200 1.00 0.00 H new ATOM 0 HE3 MET A 60 7.944 -12.067 3.693 1.00 0.00 H new ATOM 439 N LEU A 61 3.203 -13.915 -1.650 1.00 0.00 N ATOM 440 CA LEU A 61 2.110 -14.706 -2.192 1.00 0.00 C ATOM 441 C LEU A 61 2.612 -15.504 -3.396 1.00 0.00 C ATOM 442 O LEU A 61 2.284 -16.681 -3.546 1.00 0.00 O ATOM 443 CB LEU A 61 0.905 -13.815 -2.503 1.00 0.00 C ATOM 444 CG LEU A 61 -0.397 -14.526 -2.130 1.00 0.00 C ATOM 445 CD1 LEU A 61 -0.500 -15.884 -2.827 1.00 0.00 C ATOM 446 CD2 LEU A 61 -0.541 -14.649 -0.613 1.00 0.00 C ATOM 0 H LEU A 61 3.043 -12.908 -1.653 1.00 0.00 H new ATOM 0 HA LEU A 61 1.760 -15.428 -1.454 1.00 0.00 H new ATOM 0 HB2 LEU A 61 0.986 -12.878 -1.951 1.00 0.00 H new ATOM 0 HB3 LEU A 61 0.897 -13.561 -3.563 1.00 0.00 H new ATOM 0 HG LEU A 61 -1.230 -13.918 -2.484 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -1.435 -16.368 -2.544 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -0.477 -15.741 -3.907 1.00 0.00 H new ATOM 0 HD13 LEU A 61 0.339 -16.512 -2.527 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -1.475 -15.158 -0.376 1.00 0.00 H new ATOM 0 HD22 LEU A 61 0.296 -15.222 -0.213 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -0.546 -13.655 -0.166 1.00 0.00 H new ATOM 447 N LEU A 62 3.398 -14.832 -4.225 1.00 0.00 N ATOM 448 CA LEU A 62 3.948 -15.464 -5.411 1.00 0.00 C ATOM 449 C LEU A 62 4.864 -16.616 -4.994 1.00 0.00 C ATOM 450 O LEU A 62 4.857 -17.676 -5.617 1.00 0.00 O ATOM 451 CB LEU A 62 4.636 -14.426 -6.301 1.00 0.00 C ATOM 452 CG LEU A 62 4.997 -15.037 -7.657 1.00 0.00 C ATOM 453 CD1 LEU A 62 3.809 -14.977 -8.619 1.00 0.00 C ATOM 454 CD2 LEU A 62 6.244 -14.372 -8.243 1.00 0.00 C ATOM 0 H LEU A 62 3.667 -13.856 -4.098 1.00 0.00 H new ATOM 0 HA LEU A 62 3.150 -15.894 -6.016 1.00 0.00 H new ATOM 0 HB2 LEU A 62 3.978 -13.569 -6.445 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.537 -14.057 -5.810 1.00 0.00 H new ATOM 0 HG LEU A 62 5.235 -16.090 -7.505 1.00 0.00 H new ATOM 0 HD11 LEU A 62 4.092 -15.418 -9.575 1.00 0.00 H new ATOM 0 HD12 LEU A 62 2.971 -15.532 -8.198 1.00 0.00 H new ATOM 0 HD13 LEU A 62 3.516 -13.938 -8.771 1.00 0.00 H new ATOM 0 HD21 LEU A 62 6.479 -14.824 -9.206 1.00 0.00 H new ATOM 0 HD22 LEU A 62 6.059 -13.306 -8.378 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.084 -14.511 -7.563 1.00 0.00 H new ATOM 455 N GLY A 63 5.628 -16.370 -3.940 1.00 0.00 N ATOM 456 CA GLY A 63 6.547 -17.373 -3.431 1.00 0.00 C ATOM 457 C GLY A 63 5.798 -18.640 -3.012 1.00 0.00 C ATOM 458 O GLY A 63 6.205 -19.748 -3.356 1.00 0.00 O ATOM 0 H GLY A 63 5.629 -15.490 -3.424 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.284 -17.618 -4.196 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.094 -16.971 -2.578 1.00 0.00 H new ATOM 459 N TYR A 64 4.717 -18.433 -2.275 1.00 0.00 N ATOM 460 CA TYR A 64 3.907 -19.544 -1.805 1.00 0.00 C ATOM 461 C TYR A 64 3.033 -20.101 -2.929 1.00 0.00 C ATOM 462 O TYR A 64 2.805 -19.428 -3.933 1.00 0.00 O ATOM 463 CB TYR A 64 3.004 -18.974 -0.708 1.00 0.00 C ATOM 464 CG TYR A 64 3.760 -18.475 0.525 1.00 0.00 C ATOM 465 CD1 TYR A 64 4.742 -19.317 1.158 1.00 0.00 C ATOM 466 CD2 TYR A 64 3.506 -17.236 1.023 1.00 0.00 C ATOM 467 CE1 TYR A 64 5.415 -18.874 2.252 1.00 0.00 C ATOM 468 CE2 TYR A 64 4.218 -16.767 2.183 1.00 0.00 C ATOM 469 CZ TYR A 64 5.145 -17.561 2.780 1.00 0.00 C ATOM 470 OH TYR A 64 5.818 -17.118 3.876 1.00 0.00 O ATOM 0 H TYR A 64 4.383 -17.512 -1.992 1.00 0.00 H new ATOM 0 HA TYR A 64 4.541 -20.355 -1.446 1.00 0.00 H new ATOM 0 HB2 TYR A 64 2.422 -18.151 -1.122 1.00 0.00 H new ATOM 0 HB3 TYR A 64 2.295 -19.742 -0.400 1.00 0.00 H new ATOM 0 HD1 TYR A 64 4.944 -20.302 0.763 1.00 0.00 H new ATOM 0 HD2 TYR A 64 2.770 -16.604 0.549 1.00 0.00 H new ATOM 0 HE1 TYR A 64 6.152 -19.506 2.726 1.00 0.00 H new ATOM 0 HE2 TYR A 64 4.015 -15.783 2.579 1.00 0.00 H new ATOM 0 HH TYR A 64 5.517 -16.213 4.101 1.00 0.00 H new ATOM 471 N GLY A 65 2.567 -21.323 -2.725 1.00 0.00 N ATOM 472 CA GLY A 65 1.723 -21.979 -3.710 1.00 0.00 C ATOM 473 C GLY A 65 0.326 -21.356 -3.734 1.00 0.00 C ATOM 474 O GLY A 65 0.011 -20.564 -4.622 1.00 0.00 O ATOM 0 H GLY A 65 2.758 -21.878 -1.891 1.00 0.00 H new ATOM 0 HA2 GLY A 65 2.179 -21.898 -4.697 1.00 0.00 H new ATOM 0 HA3 GLY A 65 1.648 -23.042 -3.480 1.00 0.00 H new ATOM 475 N LEU A 66 -0.475 -21.738 -2.750 1.00 0.00 N ATOM 476 CA LEU A 66 -1.831 -21.226 -2.648 1.00 0.00 C ATOM 477 C LEU A 66 -1.817 -19.906 -1.878 1.00 0.00 C ATOM 478 O LEU A 66 -2.100 -18.849 -2.443 1.00 0.00 O ATOM 479 CB LEU A 66 -2.757 -22.282 -2.042 1.00 0.00 C ATOM 480 CG LEU A 66 -3.232 -23.261 -3.118 1.00 0.00 C ATOM 481 CD1 LEU A 66 -2.072 -24.115 -3.634 1.00 0.00 C ATOM 482 CD2 LEU A 66 -4.392 -24.118 -2.605 1.00 0.00 C ATOM 0 H LEU A 66 -0.211 -22.396 -2.017 1.00 0.00 H new ATOM 0 HA LEU A 66 -2.233 -21.012 -3.638 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -2.233 -22.824 -1.255 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -3.616 -21.797 -1.578 1.00 0.00 H new ATOM 0 HG LEU A 66 -3.607 -22.684 -3.964 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -2.437 -24.802 -4.397 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.307 -23.468 -4.064 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -1.644 -24.684 -2.809 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -4.711 -24.805 -3.389 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -4.067 -24.687 -1.734 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -5.225 -23.473 -2.327 1.00 0.00 H new ATOM 483 N THR A 67 -1.486 -20.007 -0.599 1.00 0.00 N ATOM 484 CA THR A 67 -1.431 -18.832 0.256 1.00 0.00 C ATOM 485 C THR A 67 -0.179 -18.869 1.134 1.00 0.00 C ATOM 486 O THR A 67 0.620 -17.936 1.123 1.00 0.00 O ATOM 487 CB THR A 67 -2.733 -18.770 1.056 1.00 0.00 C ATOM 488 OG1 THR A 67 -3.754 -18.877 0.067 1.00 0.00 O ATOM 489 CG2 THR A 67 -2.968 -17.395 1.685 1.00 0.00 C ATOM 0 H THR A 67 -1.253 -20.884 -0.134 1.00 0.00 H new ATOM 0 HA THR A 67 -1.349 -17.918 -0.332 1.00 0.00 H new ATOM 0 HB THR A 67 -2.715 -19.529 1.838 1.00 0.00 H new ATOM 0 HG1 THR A 67 -3.520 -18.322 -0.706 1.00 0.00 H new ATOM 0 HG21 THR A 67 -3.905 -17.405 2.241 1.00 0.00 H new ATOM 0 HG22 THR A 67 -2.147 -17.159 2.362 1.00 0.00 H new ATOM 0 HG23 THR A 67 -3.020 -16.640 0.900 1.00 0.00 H new ATOM 490 N MET A 68 -0.048 -19.961 1.877 1.00 0.00 N ATOM 491 CA MET A 68 1.093 -20.133 2.759 1.00 0.00 C ATOM 492 C MET A 68 1.620 -21.567 2.702 1.00 0.00 C ATOM 493 O MET A 68 1.924 -22.163 3.734 1.00 0.00 O ATOM 494 CB MET A 68 0.684 -19.796 4.195 1.00 0.00 C ATOM 495 CG MET A 68 0.306 -18.319 4.326 1.00 0.00 C ATOM 496 SD MET A 68 0.037 -17.908 6.042 1.00 0.00 S ATOM 497 CE MET A 68 -0.392 -16.182 5.884 1.00 0.00 C ATOM 0 H MET A 68 -0.714 -20.734 1.885 1.00 0.00 H new ATOM 0 HA MET A 68 1.886 -19.462 2.430 1.00 0.00 H new ATOM 0 HB2 MET A 68 -0.160 -20.419 4.492 1.00 0.00 H new ATOM 0 HB3 MET A 68 1.505 -20.027 4.874 1.00 0.00 H new ATOM 0 HG2 MET A 68 1.098 -17.694 3.914 1.00 0.00 H new ATOM 0 HG3 MET A 68 -0.595 -18.113 3.749 1.00 0.00 H new ATOM 0 HE1 MET A 68 0.168 -15.599 6.616 1.00 0.00 H new ATOM 0 HE2 MET A 68 -0.146 -15.836 4.880 1.00 0.00 H new ATOM 0 HE3 MET A 68 -1.460 -16.055 6.060 1.00 0.00 H new ATOM 498 N VAL A 69 1.713 -22.081 1.484 1.00 0.00 N ATOM 499 CA VAL A 69 2.198 -23.434 1.278 1.00 0.00 C ATOM 500 C VAL A 69 3.356 -23.410 0.277 1.00 0.00 C ATOM 501 O VAL A 69 3.138 -23.499 -0.931 1.00 0.00 O ATOM 502 CB VAL A 69 1.047 -24.342 0.839 1.00 0.00 C ATOM 503 CG1 VAL A 69 1.514 -25.792 0.702 1.00 0.00 C ATOM 504 CG2 VAL A 69 -0.135 -24.233 1.803 1.00 0.00 C ATOM 0 H VAL A 69 1.460 -21.584 0.630 1.00 0.00 H new ATOM 0 HA VAL A 69 2.583 -23.847 2.210 1.00 0.00 H new ATOM 0 HB VAL A 69 0.710 -24.006 -0.142 1.00 0.00 H new ATOM 0 HG11 VAL A 69 0.677 -26.416 0.389 1.00 0.00 H new ATOM 0 HG12 VAL A 69 2.308 -25.850 -0.043 1.00 0.00 H new ATOM 0 HG13 VAL A 69 1.891 -26.145 1.662 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -0.939 -24.888 1.468 1.00 0.00 H new ATOM 0 HG22 VAL A 69 0.182 -24.530 2.803 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -0.492 -23.203 1.826 1.00 0.00 H new ATOM 505 N PRO A 70 4.591 -23.288 0.831 1.00 0.00 N ATOM 506 CA PRO A 70 5.783 -23.251 0.001 1.00 0.00 C ATOM 507 C PRO A 70 6.122 -24.644 -0.534 1.00 0.00 C ATOM 508 O PRO A 70 6.626 -24.780 -1.648 1.00 0.00 O ATOM 509 CB PRO A 70 6.869 -22.678 0.897 1.00 0.00 C ATOM 510 CG PRO A 70 6.368 -22.849 2.321 1.00 0.00 C ATOM 511 CD PRO A 70 4.886 -23.182 2.258 1.00 0.00 C ATOM 0 HA PRO A 70 5.656 -22.637 -0.890 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.813 -23.202 0.750 1.00 0.00 H new ATOM 0 HB3 PRO A 70 7.049 -21.627 0.670 1.00 0.00 H new ATOM 0 HG2 PRO A 70 6.917 -23.644 2.826 1.00 0.00 H new ATOM 0 HG3 PRO A 70 6.530 -21.936 2.895 1.00 0.00 H new ATOM 0 HD2 PRO A 70 4.667 -24.115 2.778 1.00 0.00 H new ATOM 0 HD3 PRO A 70 4.285 -22.405 2.730 1.00 0.00 H new TER 512 PRO A 70