USER MOD reduce.3.24.130724 H: found=0, std=0, add=335, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 339 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 15 GLN : amide:sc= 0 K(o=0,f=-0.86) USER MOD Single : A 17 SER OG : rot 76:sc= 1.04 USER MOD Single : A 19 THR OG1 : rot 86:sc= -0.781! USER MOD Single : A 21 MET CE :methyl 166:sc=-0.00432 (180deg=-0.228) USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 MET CE :methyl 166:sc= -0.0106 (180deg=-0.241) USER MOD Single : A 36 THR OG1 : rot -150:sc= -1.48! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 THR OG1 : rot 127:sc= 1.08 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 CA PRO A 6 -28.203 -29.402 46.519 1.00 0.00 C ATOM 2 C PRO A 6 -27.508 -30.254 45.468 1.00 0.00 C ATOM 3 O PRO A 6 -26.955 -29.735 44.501 1.00 0.00 O ATOM 5 N ALA A 7 -27.545 -31.567 45.675 1.00 0.00 N ATOM 6 CA ALA A 7 -26.925 -32.519 44.759 1.00 0.00 C ATOM 7 C ALA A 7 -27.705 -32.589 43.456 1.00 0.00 C ATOM 8 O ALA A 7 -27.124 -32.712 42.380 1.00 0.00 O ATOM 9 CB ALA A 7 -26.895 -33.908 45.378 1.00 0.00 C ATOM 0 H ALA A 7 -28.003 -31.999 46.478 1.00 0.00 H new ATOM 0 HA ALA A 7 -25.908 -32.179 44.562 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -26.430 -34.606 44.682 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -26.321 -33.881 46.304 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -27.913 -34.233 45.592 1.00 0.00 H new ATOM 15 N LYS A 8 -29.028 -32.508 43.573 1.00 0.00 N ATOM 16 CA LYS A 8 -29.917 -32.560 42.416 1.00 0.00 C ATOM 17 C LYS A 8 -29.481 -31.554 41.364 1.00 0.00 C ATOM 18 O LYS A 8 -29.431 -31.864 40.176 1.00 0.00 O ATOM 19 CB LYS A 8 -31.354 -32.235 42.829 1.00 0.00 C ATOM 20 CG LYS A 8 -32.362 -32.330 41.696 1.00 0.00 C ATOM 21 CD LYS A 8 -33.773 -32.050 42.187 1.00 0.00 C ATOM 22 CE LYS A 8 -34.780 -32.130 41.051 1.00 0.00 C ATOM 23 NZ LYS A 8 -36.169 -31.870 41.520 1.00 0.00 N ATOM 0 H LYS A 8 -29.511 -32.405 44.465 1.00 0.00 H new ATOM 0 HA LYS A 8 -29.869 -33.569 42.006 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -31.654 -32.915 43.626 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -31.383 -31.227 43.243 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -32.100 -31.619 40.912 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -32.320 -33.324 41.251 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -34.039 -32.768 42.963 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -33.812 -31.060 42.641 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -34.516 -31.406 40.280 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -34.731 -33.117 40.591 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -36.825 -31.934 40.715 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -36.431 -32.576 42.237 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -36.223 -30.918 41.936 1.00 0.00 H new ATOM 37 N ALA A 9 -29.168 -30.345 41.820 1.00 0.00 N ATOM 38 CA ALA A 9 -28.731 -29.267 40.937 1.00 0.00 C ATOM 39 C ALA A 9 -27.319 -29.530 40.436 1.00 0.00 C ATOM 40 O ALA A 9 -26.977 -29.185 39.307 1.00 0.00 O ATOM 41 CB ALA A 9 -28.741 -27.938 41.677 1.00 0.00 C ATOM 0 H ALA A 9 -29.209 -30.085 42.805 1.00 0.00 H new ATOM 0 HA ALA A 9 -29.420 -29.226 40.094 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -28.413 -27.145 41.005 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -29.751 -27.723 42.026 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -28.066 -27.992 42.531 1.00 0.00 H new ATOM 47 N ALA A 10 -26.510 -30.144 41.292 1.00 0.00 N ATOM 48 CA ALA A 10 -25.125 -30.467 40.962 1.00 0.00 C ATOM 49 C ALA A 10 -25.069 -31.537 39.884 1.00 0.00 C ATOM 50 O ALA A 10 -24.329 -31.414 38.911 1.00 0.00 O ATOM 51 CB ALA A 10 -24.394 -30.984 42.191 1.00 0.00 C ATOM 0 H ALA A 10 -26.793 -30.431 42.229 1.00 0.00 H new ATOM 0 HA ALA A 10 -24.648 -29.556 40.602 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -23.363 -31.220 41.928 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -24.405 -30.220 42.969 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -24.890 -31.883 42.558 1.00 0.00 H new ATOM 57 N PHE A 11 -25.866 -32.586 40.073 1.00 0.00 N ATOM 58 CA PHE A 11 -25.930 -33.697 39.129 1.00 0.00 C ATOM 59 C PHE A 11 -26.679 -33.286 37.873 1.00 0.00 C ATOM 60 O PHE A 11 -26.269 -33.607 36.759 1.00 0.00 O ATOM 61 CB PHE A 11 -26.654 -34.891 39.755 1.00 0.00 C ATOM 62 CG PHE A 11 -26.727 -36.094 38.858 1.00 0.00 C ATOM 63 CD1 PHE A 11 -25.628 -36.918 38.692 1.00 0.00 C ATOM 64 CD2 PHE A 11 -27.894 -36.401 38.181 1.00 0.00 C ATOM 65 CE1 PHE A 11 -25.694 -38.025 37.867 1.00 0.00 C ATOM 66 CE2 PHE A 11 -27.961 -37.507 37.356 1.00 0.00 C ATOM 67 CZ PHE A 11 -26.868 -38.318 37.197 1.00 0.00 C ATOM 0 H PHE A 11 -26.482 -32.689 40.880 1.00 0.00 H new ATOM 0 HA PHE A 11 -24.907 -33.976 38.875 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -26.146 -35.168 40.679 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -27.666 -34.589 40.026 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -24.709 -36.694 39.213 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -28.762 -35.769 38.299 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -24.829 -38.661 37.746 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -28.879 -37.733 36.834 1.00 0.00 H new ATOM 0 HZ PHE A 11 -26.923 -39.182 36.551 1.00 0.00 H new ATOM 77 N ASP A 12 -27.783 -32.571 38.071 1.00 0.00 N ATOM 78 CA ASP A 12 -28.617 -32.099 36.968 1.00 0.00 C ATOM 79 C ASP A 12 -27.925 -30.967 36.226 1.00 0.00 C ATOM 80 O ASP A 12 -27.999 -30.876 35.003 1.00 0.00 O ATOM 81 CB ASP A 12 -29.959 -31.585 37.493 1.00 0.00 C ATOM 82 CG ASP A 12 -30.943 -31.282 36.380 1.00 0.00 C ATOM 83 OD1 ASP A 12 -31.224 -32.192 35.572 1.00 0.00 O ATOM 84 OD2 ASP A 12 -31.432 -30.135 36.315 1.00 0.00 O ATOM 0 H ASP A 12 -28.124 -32.303 38.994 1.00 0.00 H new ATOM 0 HA ASP A 12 -28.782 -32.938 36.292 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -30.391 -32.328 38.163 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -29.793 -30.683 38.082 1.00 0.00 H new ATOM 90 N SER A 13 -27.252 -30.107 36.986 1.00 0.00 N ATOM 91 CA SER A 13 -26.534 -28.966 36.427 1.00 0.00 C ATOM 92 C SER A 13 -25.386 -29.438 35.549 1.00 0.00 C ATOM 93 O SER A 13 -25.184 -28.931 34.447 1.00 0.00 O ATOM 94 CB SER A 13 -25.961 -28.094 37.545 1.00 0.00 C ATOM 95 OG SER A 13 -25.260 -26.981 37.016 1.00 0.00 O ATOM 0 H SER A 13 -27.189 -30.181 38.001 1.00 0.00 H new ATOM 0 HA SER A 13 -27.241 -28.387 35.832 1.00 0.00 H new ATOM 0 HB2 SER A 13 -26.769 -27.746 38.189 1.00 0.00 H new ATOM 0 HB3 SER A 13 -25.291 -28.688 38.166 1.00 0.00 H new ATOM 0 HG SER A 13 -24.905 -26.439 37.751 1.00 0.00 H new ATOM 101 N LEU A 14 -24.640 -30.417 36.054 1.00 0.00 N ATOM 102 CA LEU A 14 -23.501 -30.981 35.335 1.00 0.00 C ATOM 103 C LEU A 14 -23.965 -31.683 34.070 1.00 0.00 C ATOM 104 O LEU A 14 -23.409 -31.478 32.994 1.00 0.00 O ATOM 105 CB LEU A 14 -22.765 -31.998 36.210 1.00 0.00 C ATOM 106 CG LEU A 14 -21.531 -32.657 35.591 1.00 0.00 C ATOM 107 CD1 LEU A 14 -20.456 -31.621 35.302 1.00 0.00 C ATOM 108 CD2 LEU A 14 -20.947 -33.697 36.535 1.00 0.00 C ATOM 0 H LEU A 14 -24.806 -30.840 36.967 1.00 0.00 H new ATOM 0 HA LEU A 14 -22.831 -30.160 35.078 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -22.461 -31.501 37.131 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -23.469 -32.783 36.488 1.00 0.00 H new ATOM 0 HG LEU A 14 -21.847 -33.133 34.663 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -19.587 -32.111 34.862 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -20.845 -30.878 34.606 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -20.164 -31.130 36.231 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -20.070 -34.154 36.076 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -20.658 -33.218 37.471 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -21.693 -34.466 36.736 1.00 0.00 H new ATOM 120 N GLN A 15 -24.994 -32.515 34.219 1.00 0.00 N ATOM 121 CA GLN A 15 -25.557 -33.266 33.101 1.00 0.00 C ATOM 122 C GLN A 15 -25.948 -32.328 31.971 1.00 0.00 C ATOM 123 O GLN A 15 -25.726 -32.625 30.799 1.00 0.00 O ATOM 124 CB GLN A 15 -26.804 -34.033 33.545 1.00 0.00 C ATOM 125 CG GLN A 15 -27.410 -34.912 32.463 1.00 0.00 C ATOM 126 CD GLN A 15 -28.603 -35.706 32.957 1.00 0.00 C ATOM 127 OE1 GLN A 15 -28.998 -35.593 34.117 1.00 0.00 O ATOM 128 NE2 GLN A 15 -29.182 -36.513 32.075 1.00 0.00 N ATOM 0 H GLN A 15 -25.457 -32.686 35.111 1.00 0.00 H new ATOM 0 HA GLN A 15 -24.796 -33.965 32.754 1.00 0.00 H new ATOM 0 HB2 GLN A 15 -26.549 -34.655 34.403 1.00 0.00 H new ATOM 0 HB3 GLN A 15 -27.556 -33.319 33.882 1.00 0.00 H new ATOM 0 HG2 GLN A 15 -27.716 -34.289 31.623 1.00 0.00 H new ATOM 0 HG3 GLN A 15 -26.650 -35.599 32.090 1.00 0.00 H new ATOM 0 HE21 GLN A 15 -28.819 -36.573 31.124 1.00 0.00 H new ATOM 0 HE22 GLN A 15 -29.990 -37.072 32.349 1.00 0.00 H new ATOM 137 N ALA A 16 -26.532 -31.192 32.345 1.00 0.00 N ATOM 138 CA ALA A 16 -26.966 -30.185 31.380 1.00 0.00 C ATOM 139 C ALA A 16 -25.768 -29.464 30.787 1.00 0.00 C ATOM 140 O ALA A 16 -25.660 -29.312 29.572 1.00 0.00 O ATOM 141 CB ALA A 16 -27.862 -29.157 32.053 1.00 0.00 C ATOM 0 H ALA A 16 -26.717 -30.945 33.317 1.00 0.00 H new ATOM 0 HA ALA A 16 -27.516 -30.696 30.590 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -28.177 -28.414 31.321 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -28.740 -29.654 32.466 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -27.312 -28.665 32.856 1.00 0.00 H new ATOM 147 N SER A 17 -24.871 -29.022 31.664 1.00 0.00 N ATOM 148 CA SER A 17 -23.663 -28.310 31.255 1.00 0.00 C ATOM 149 C SER A 17 -22.856 -29.148 30.278 1.00 0.00 C ATOM 150 O SER A 17 -22.530 -28.698 29.182 1.00 0.00 O ATOM 151 CB SER A 17 -22.784 -28.004 32.470 1.00 0.00 C ATOM 152 OG SER A 17 -23.424 -27.091 33.345 1.00 0.00 O ATOM 0 H SER A 17 -24.959 -29.146 32.673 1.00 0.00 H new ATOM 0 HA SER A 17 -23.972 -27.380 30.778 1.00 0.00 H new ATOM 0 HB2 SER A 17 -22.561 -28.928 33.003 1.00 0.00 H new ATOM 0 HB3 SER A 17 -21.832 -27.589 32.139 1.00 0.00 H new ATOM 0 HG SER A 17 -24.118 -27.558 33.855 1.00 0.00 H new ATOM 158 N ALA A 18 -22.543 -30.373 30.691 1.00 0.00 N ATOM 159 CA ALA A 18 -21.773 -31.301 29.870 1.00 0.00 C ATOM 160 C ALA A 18 -22.598 -31.772 28.684 1.00 0.00 C ATOM 161 O ALA A 18 -22.059 -32.077 27.622 1.00 0.00 O ATOM 162 CB ALA A 18 -21.364 -32.517 30.686 1.00 0.00 C ATOM 0 H ALA A 18 -22.815 -30.748 31.600 1.00 0.00 H new ATOM 0 HA ALA A 18 -20.885 -30.777 29.517 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -20.790 -33.200 30.059 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -20.753 -32.199 31.531 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -22.255 -33.025 31.054 1.00 0.00 H new ATOM 168 N THR A 19 -23.913 -31.830 28.883 1.00 0.00 N ATOM 169 CA THR A 19 -24.841 -32.263 27.844 1.00 0.00 C ATOM 170 C THR A 19 -25.006 -31.178 26.792 1.00 0.00 C ATOM 171 O THR A 19 -24.854 -31.427 25.598 1.00 0.00 O ATOM 172 CB THR A 19 -26.233 -32.575 28.425 1.00 0.00 C ATOM 173 OG1 THR A 19 -26.130 -33.647 29.371 1.00 0.00 O ATOM 174 CG2 THR A 19 -27.192 -32.986 27.318 1.00 0.00 C ATOM 0 H THR A 19 -24.362 -31.580 29.764 1.00 0.00 H new ATOM 0 HA THR A 19 -24.421 -33.166 27.400 1.00 0.00 H new ATOM 0 HB THR A 19 -26.613 -31.678 28.914 1.00 0.00 H new ATOM 0 HG1 THR A 19 -25.904 -33.284 30.253 1.00 0.00 H new ATOM 0 HG21 THR A 19 -28.171 -33.203 27.746 1.00 0.00 H new ATOM 0 HG22 THR A 19 -27.284 -32.175 26.596 1.00 0.00 H new ATOM 0 HG23 THR A 19 -26.810 -33.876 26.817 1.00 0.00 H new ATOM 182 N GLU A 20 -25.321 -29.971 27.256 1.00 0.00 N ATOM 183 CA GLU A 20 -25.514 -28.822 26.375 1.00 0.00 C ATOM 184 C GLU A 20 -24.232 -28.503 25.627 1.00 0.00 C ATOM 185 O GLU A 20 -24.252 -28.212 24.434 1.00 0.00 O ATOM 186 CB GLU A 20 -25.921 -27.589 27.184 1.00 0.00 C ATOM 187 CG GLU A 20 -27.314 -27.673 27.785 1.00 0.00 C ATOM 188 CD GLU A 20 -27.662 -26.458 28.622 1.00 0.00 C ATOM 189 OE1 GLU A 20 -26.793 -25.573 28.775 1.00 0.00 O ATOM 190 OE2 GLU A 20 -28.803 -26.390 29.126 1.00 0.00 O ATOM 0 H GLU A 20 -25.449 -29.763 28.246 1.00 0.00 H new ATOM 0 HA GLU A 20 -26.302 -29.076 25.666 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -25.199 -27.440 27.987 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -25.867 -26.711 26.540 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -28.045 -27.779 26.984 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -27.386 -28.568 28.403 1.00 0.00 H new ATOM 198 N MET A 21 -23.116 -28.562 26.349 1.00 0.00 N ATOM 199 CA MET A 21 -21.801 -28.284 25.777 1.00 0.00 C ATOM 200 C MET A 21 -21.448 -29.318 24.721 1.00 0.00 C ATOM 201 O MET A 21 -20.851 -28.995 23.697 1.00 0.00 O ATOM 202 CB MET A 21 -20.725 -28.319 26.865 1.00 0.00 C ATOM 203 CG MET A 21 -19.333 -27.957 26.373 1.00 0.00 C ATOM 204 SD MET A 21 -19.218 -26.250 25.804 1.00 0.00 S ATOM 205 CE MET A 21 -19.312 -25.367 27.359 1.00 0.00 C ATOM 0 H MET A 21 -23.097 -28.802 27.340 1.00 0.00 H new ATOM 0 HA MET A 21 -21.840 -27.293 25.325 1.00 0.00 H new ATOM 0 HB2 MET A 21 -21.007 -27.631 27.662 1.00 0.00 H new ATOM 0 HB3 MET A 21 -20.696 -29.318 27.301 1.00 0.00 H new ATOM 0 HG2 MET A 21 -18.615 -28.117 27.177 1.00 0.00 H new ATOM 0 HG3 MET A 21 -19.054 -28.626 25.559 1.00 0.00 H new ATOM 0 HE1 MET A 21 -19.009 -24.331 27.208 1.00 0.00 H new ATOM 0 HE2 MET A 21 -20.336 -25.395 27.732 1.00 0.00 H new ATOM 0 HE3 MET A 21 -18.649 -25.837 28.085 1.00 0.00 H new ATOM 215 N ILE A 22 -21.828 -30.564 24.988 1.00 0.00 N ATOM 216 CA ILE A 22 -21.565 -31.672 24.075 1.00 0.00 C ATOM 217 C ILE A 22 -22.174 -31.394 22.711 1.00 0.00 C ATOM 218 O ILE A 22 -21.640 -31.812 21.685 1.00 0.00 O ATOM 219 CB ILE A 22 -22.163 -32.990 24.600 1.00 0.00 C ATOM 220 CG1 ILE A 22 -21.580 -34.182 23.837 1.00 0.00 C ATOM 221 CG2 ILE A 22 -23.674 -32.998 24.425 1.00 0.00 C ATOM 222 CD1 ILE A 22 -21.876 -35.520 24.478 1.00 0.00 C ATOM 0 H ILE A 22 -22.324 -30.833 25.838 1.00 0.00 H new ATOM 0 HA ILE A 22 -20.482 -31.768 23.998 1.00 0.00 H new ATOM 0 HB ILE A 22 -21.915 -33.070 25.658 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -21.976 -34.180 22.821 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -20.500 -34.058 23.758 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -24.079 -33.937 24.802 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -24.109 -32.167 24.980 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -23.918 -32.896 23.368 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -21.431 -36.316 23.881 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -21.456 -35.543 25.484 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -22.955 -35.667 24.532 1.00 0.00 H new ATOM 234 N GLY A 23 -23.298 -30.683 22.717 1.00 0.00 N ATOM 235 CA GLY A 23 -24.006 -30.331 21.490 1.00 0.00 C ATOM 236 C GLY A 23 -23.232 -29.279 20.711 1.00 0.00 C ATOM 237 O GLY A 23 -23.260 -29.258 19.483 1.00 0.00 O ATOM 0 H GLY A 23 -23.742 -30.336 23.567 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -24.143 -31.220 20.874 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -25.000 -29.955 21.732 1.00 0.00 H new ATOM 241 N TYR A 24 -22.544 -28.412 21.446 1.00 0.00 N ATOM 242 CA TYR A 24 -21.749 -27.341 20.850 1.00 0.00 C ATOM 243 C TYR A 24 -20.592 -27.917 20.054 1.00 0.00 C ATOM 244 O TYR A 24 -20.336 -27.507 18.924 1.00 0.00 O ATOM 245 CB TYR A 24 -21.180 -26.427 21.937 1.00 0.00 C ATOM 246 CG TYR A 24 -22.203 -25.504 22.559 1.00 0.00 C ATOM 247 CD1 TYR A 24 -22.559 -24.314 21.937 1.00 0.00 C ATOM 248 CD2 TYR A 24 -22.811 -25.825 23.766 1.00 0.00 C ATOM 249 CE1 TYR A 24 -23.493 -23.464 22.498 1.00 0.00 C ATOM 250 CE2 TYR A 24 -23.747 -24.988 24.342 1.00 0.00 C ATOM 251 CZ TYR A 24 -24.088 -23.811 23.710 1.00 0.00 C ATOM 252 OH TYR A 24 -25.020 -22.975 24.281 1.00 0.00 O ATOM 0 H TYR A 24 -22.520 -28.430 22.466 1.00 0.00 H new ATOM 0 HA TYR A 24 -22.403 -26.770 20.191 1.00 0.00 H new ATOM 0 HB2 TYR A 24 -20.737 -27.042 22.720 1.00 0.00 H new ATOM 0 HB3 TYR A 24 -20.376 -25.827 21.510 1.00 0.00 H new ATOM 0 HD1 TYR A 24 -22.097 -24.048 20.998 1.00 0.00 H new ATOM 0 HD2 TYR A 24 -22.547 -26.746 24.264 1.00 0.00 H new ATOM 0 HE1 TYR A 24 -23.759 -22.542 22.003 1.00 0.00 H new ATOM 0 HE2 TYR A 24 -24.209 -25.254 25.281 1.00 0.00 H new ATOM 0 HH TYR A 24 -25.337 -23.365 25.122 1.00 0.00 H new ATOM 262 N ALA A 25 -19.898 -28.877 20.660 1.00 0.00 N ATOM 263 CA ALA A 25 -18.756 -29.534 20.029 1.00 0.00 C ATOM 264 C ALA A 25 -19.179 -30.212 18.737 1.00 0.00 C ATOM 265 O ALA A 25 -18.543 -30.044 17.699 1.00 0.00 O ATOM 266 CB ALA A 25 -18.171 -30.588 20.957 1.00 0.00 C ATOM 0 H ALA A 25 -20.110 -29.220 21.597 1.00 0.00 H new ATOM 0 HA ALA A 25 -18.008 -28.770 19.817 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -17.321 -31.068 20.472 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -17.842 -30.116 21.882 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -18.931 -31.336 21.182 1.00 0.00 H new ATOM 272 N TRP A 26 -20.263 -30.981 18.820 1.00 0.00 N ATOM 273 CA TRP A 26 -20.796 -31.700 17.668 1.00 0.00 C ATOM 274 C TRP A 26 -21.234 -30.726 16.587 1.00 0.00 C ATOM 275 O TRP A 26 -20.974 -30.937 15.404 1.00 0.00 O ATOM 276 CB TRP A 26 -22.005 -32.544 18.076 1.00 0.00 C ATOM 277 CG TRP A 26 -22.603 -33.322 16.944 1.00 0.00 C ATOM 278 CD1 TRP A 26 -23.759 -33.038 16.275 1.00 0.00 C ATOM 279 CD2 TRP A 26 -22.075 -34.512 16.346 1.00 0.00 C ATOM 280 NE1 TRP A 26 -23.984 -33.977 15.298 1.00 0.00 N ATOM 281 CE2 TRP A 26 -22.963 -34.894 15.322 1.00 0.00 C ATOM 282 CE3 TRP A 26 -20.938 -35.293 16.577 1.00 0.00 C ATOM 283 CZ2 TRP A 26 -22.750 -36.022 14.530 1.00 0.00 C ATOM 284 CZ3 TRP A 26 -20.731 -36.409 15.790 1.00 0.00 C ATOM 285 CH2 TRP A 26 -21.630 -36.766 14.779 1.00 0.00 C ATOM 0 H TRP A 26 -20.792 -31.122 19.681 1.00 0.00 H new ATOM 0 HA TRP A 26 -20.005 -32.345 17.286 1.00 0.00 H new ATOM 0 HB2 TRP A 26 -21.705 -33.236 18.863 1.00 0.00 H new ATOM 0 HB3 TRP A 26 -22.768 -31.890 18.499 1.00 0.00 H new ATOM 0 HD1 TRP A 26 -24.403 -32.197 16.484 1.00 0.00 H new ATOM 0 HE1 TRP A 26 -24.779 -33.991 14.659 1.00 0.00 H new ATOM 0 HE3 TRP A 26 -20.237 -35.029 17.355 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 -23.444 -36.298 13.749 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 -19.856 -37.019 15.959 1.00 0.00 H new ATOM 0 HH2 TRP A 26 -21.436 -37.646 14.184 1.00 0.00 H new ATOM 296 N ALA A 27 -21.900 -29.656 17.012 1.00 0.00 N ATOM 297 CA ALA A 27 -22.388 -28.627 16.099 1.00 0.00 C ATOM 298 C ALA A 27 -21.223 -27.884 15.463 1.00 0.00 C ATOM 299 O ALA A 27 -21.201 -27.663 14.255 1.00 0.00 O ATOM 300 CB ALA A 27 -23.251 -27.622 16.846 1.00 0.00 C ATOM 0 H ALA A 27 -22.116 -29.478 17.993 1.00 0.00 H new ATOM 0 HA ALA A 27 -22.978 -29.119 15.326 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -23.607 -26.861 16.152 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -24.104 -28.135 17.291 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -22.661 -27.149 17.631 1.00 0.00 H new ATOM 306 N MET A 28 -20.260 -27.502 16.297 1.00 0.00 N ATOM 307 CA MET A 28 -19.075 -26.781 15.843 1.00 0.00 C ATOM 308 C MET A 28 -18.189 -27.686 15.003 1.00 0.00 C ATOM 309 O MET A 28 -17.773 -27.322 13.906 1.00 0.00 O ATOM 310 CB MET A 28 -18.261 -26.282 17.038 1.00 0.00 C ATOM 311 CG MET A 28 -17.036 -25.466 16.658 1.00 0.00 C ATOM 312 SD MET A 28 -16.122 -24.872 18.094 1.00 0.00 S ATOM 313 CE MET A 28 -15.420 -26.401 18.706 1.00 0.00 C ATOM 0 H MET A 28 -20.278 -27.682 17.301 1.00 0.00 H new ATOM 0 HA MET A 28 -19.411 -25.934 15.244 1.00 0.00 H new ATOM 0 HB2 MET A 28 -18.905 -25.675 17.675 1.00 0.00 H new ATOM 0 HB3 MET A 28 -17.943 -27.140 17.631 1.00 0.00 H new ATOM 0 HG2 MET A 28 -16.377 -26.075 16.039 1.00 0.00 H new ATOM 0 HG3 MET A 28 -17.345 -24.615 16.052 1.00 0.00 H new ATOM 0 HE1 MET A 28 -14.637 -26.178 19.431 1.00 0.00 H new ATOM 0 HE2 MET A 28 -16.200 -26.993 19.185 1.00 0.00 H new ATOM 0 HE3 MET A 28 -14.995 -26.964 17.875 1.00 0.00 H new ATOM 323 N VAL A 29 -17.909 -28.873 15.538 1.00 0.00 N ATOM 324 CA VAL A 29 -17.072 -29.857 14.858 1.00 0.00 C ATOM 325 C VAL A 29 -17.729 -30.312 13.566 1.00 0.00 C ATOM 326 O VAL A 29 -17.098 -30.338 12.512 1.00 0.00 O ATOM 327 CB VAL A 29 -16.839 -31.102 15.734 1.00 0.00 C ATOM 328 CG1 VAL A 29 -16.144 -32.193 14.935 1.00 0.00 C ATOM 329 CG2 VAL A 29 -15.968 -30.754 16.932 1.00 0.00 C ATOM 0 H VAL A 29 -18.254 -29.177 16.449 1.00 0.00 H new ATOM 0 HA VAL A 29 -16.118 -29.372 14.652 1.00 0.00 H new ATOM 0 HB VAL A 29 -17.812 -31.456 16.074 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -15.987 -33.065 15.570 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -16.764 -32.471 14.083 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -15.181 -31.826 14.579 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -15.813 -31.645 17.540 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -15.005 -30.380 16.585 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -16.461 -29.988 17.530 1.00 0.00 H new ATOM 339 N VAL A 30 -19.005 -30.673 13.666 1.00 0.00 N ATOM 340 CA VAL A 30 -19.779 -31.134 12.518 1.00 0.00 C ATOM 341 C VAL A 30 -19.774 -30.087 11.416 1.00 0.00 C ATOM 342 O VAL A 30 -19.632 -30.410 10.239 1.00 0.00 O ATOM 343 CB VAL A 30 -21.245 -31.411 12.900 1.00 0.00 C ATOM 344 CG1 VAL A 30 -22.077 -31.686 11.657 1.00 0.00 C ATOM 345 CG2 VAL A 30 -21.337 -32.621 13.817 1.00 0.00 C ATOM 0 H VAL A 30 -19.529 -30.654 14.541 1.00 0.00 H new ATOM 0 HA VAL A 30 -19.312 -32.056 12.172 1.00 0.00 H new ATOM 0 HB VAL A 30 -21.627 -30.528 13.413 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -23.110 -31.880 11.946 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -22.041 -30.820 10.996 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -21.677 -32.556 11.136 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -22.380 -32.802 14.077 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -20.933 -33.496 13.307 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -20.764 -32.434 14.725 1.00 0.00 H new ATOM 355 N VAL A 31 -19.932 -28.829 11.820 1.00 0.00 N ATOM 356 CA VAL A 31 -19.951 -27.706 10.886 1.00 0.00 C ATOM 357 C VAL A 31 -18.550 -27.421 10.367 1.00 0.00 C ATOM 358 O VAL A 31 -18.343 -27.263 9.167 1.00 0.00 O ATOM 359 CB VAL A 31 -20.478 -26.423 11.556 1.00 0.00 C ATOM 360 CG1 VAL A 31 -20.316 -25.231 10.626 1.00 0.00 C ATOM 361 CG2 VAL A 31 -21.952 -26.569 11.900 1.00 0.00 C ATOM 0 H VAL A 31 -20.050 -28.560 12.797 1.00 0.00 H new ATOM 0 HA VAL A 31 -20.613 -27.987 10.067 1.00 0.00 H new ATOM 0 HB VAL A 31 -19.900 -26.262 12.466 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -20.694 -24.333 11.116 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -19.261 -25.097 10.386 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -20.877 -25.407 9.708 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -22.308 -25.653 12.373 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -22.522 -26.752 10.989 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -22.084 -27.406 12.585 1.00 0.00 H new ATOM 371 N ILE A 32 -17.597 -27.361 11.292 1.00 0.00 N ATOM 372 CA ILE A 32 -16.202 -27.096 10.957 1.00 0.00 C ATOM 373 C ILE A 32 -15.654 -28.190 10.055 1.00 0.00 C ATOM 374 O ILE A 32 -15.085 -27.913 9.001 1.00 0.00 O ATOM 375 CB ILE A 32 -15.320 -27.036 12.218 1.00 0.00 C ATOM 376 CG1 ILE A 32 -15.683 -25.815 13.065 1.00 0.00 C ATOM 377 CG2 ILE A 32 -13.851 -26.939 11.837 1.00 0.00 C ATOM 378 CD1 ILE A 32 -15.042 -25.811 14.436 1.00 0.00 C ATOM 0 H ILE A 32 -17.768 -27.494 12.289 1.00 0.00 H new ATOM 0 HA ILE A 32 -16.176 -26.132 10.448 1.00 0.00 H new ATOM 0 HB ILE A 32 -15.493 -27.948 12.789 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -15.384 -24.913 12.532 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -16.766 -25.773 13.180 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -13.243 -26.898 12.741 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -13.569 -27.813 11.249 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -13.687 -26.037 11.247 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -15.346 -24.915 14.977 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -15.360 -26.695 14.989 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -13.957 -25.820 14.330 1.00 0.00 H new ATOM 390 N VAL A 33 -15.833 -29.435 10.487 1.00 0.00 N ATOM 391 CA VAL A 33 -15.367 -30.597 9.737 1.00 0.00 C ATOM 392 C VAL A 33 -16.263 -30.850 8.535 1.00 0.00 C ATOM 393 O VAL A 33 -15.784 -31.047 7.421 1.00 0.00 O ATOM 394 CB VAL A 33 -15.371 -31.868 10.606 1.00 0.00 C ATOM 395 CG1 VAL A 33 -15.061 -33.093 9.759 1.00 0.00 C ATOM 396 CG2 VAL A 33 -14.324 -31.766 11.705 1.00 0.00 C ATOM 0 H VAL A 33 -16.303 -29.666 11.362 1.00 0.00 H new ATOM 0 HA VAL A 33 -14.349 -30.378 9.415 1.00 0.00 H new ATOM 0 HB VAL A 33 -16.363 -31.965 11.048 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -15.068 -33.982 10.389 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -15.815 -33.196 8.978 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -14.078 -32.980 9.302 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -14.341 -32.673 12.309 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -13.337 -31.647 11.258 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -14.542 -30.905 12.337 1.00 0.00 H new ATOM 406 N GLY A 34 -17.570 -30.843 8.782 1.00 0.00 N ATOM 407 CA GLY A 34 -18.563 -31.070 7.735 1.00 0.00 C ATOM 408 C GLY A 34 -18.689 -29.843 6.847 1.00 0.00 C ATOM 409 O GLY A 34 -18.586 -29.936 5.626 1.00 0.00 O ATOM 0 H GLY A 34 -17.969 -30.681 9.707 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -18.276 -31.933 7.134 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.528 -31.301 8.185 1.00 0.00 H new ATOM 413 N ALA A 35 -18.914 -28.696 7.480 1.00 0.00 N ATOM 414 CA ALA A 35 -19.061 -27.429 6.770 1.00 0.00 C ATOM 415 C ALA A 35 -17.723 -26.978 6.203 1.00 0.00 C ATOM 416 O ALA A 35 -17.597 -26.726 5.007 1.00 0.00 O ATOM 417 CB ALA A 35 -19.574 -26.350 7.711 1.00 0.00 C ATOM 0 H ALA A 35 -18.999 -28.618 8.493 1.00 0.00 H new ATOM 0 HA ALA A 35 -19.773 -27.582 5.959 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -19.678 -25.412 7.166 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -20.544 -26.647 8.111 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -18.869 -26.217 8.531 1.00 0.00 H new ATOM 423 N THR A 36 -16.729 -26.882 7.082 1.00 0.00 N ATOM 424 CA THR A 36 -15.384 -26.463 6.697 1.00 0.00 C ATOM 425 C THR A 36 -14.771 -27.465 5.734 1.00 0.00 C ATOM 426 O THR A 36 -14.340 -27.107 4.640 1.00 0.00 O ATOM 427 CB THR A 36 -14.455 -26.352 7.921 1.00 0.00 C ATOM 428 OG1 THR A 36 -14.974 -25.374 8.830 1.00 0.00 O ATOM 429 CG2 THR A 36 -13.057 -25.934 7.492 1.00 0.00 C ATOM 0 H THR A 36 -16.832 -27.091 8.075 1.00 0.00 H new ATOM 0 HA THR A 36 -15.480 -25.486 6.223 1.00 0.00 H new ATOM 0 HB THR A 36 -14.404 -27.326 8.407 1.00 0.00 H new ATOM 0 HG1 THR A 36 -14.234 -24.956 9.318 1.00 0.00 H new ATOM 0 HG21 THR A 36 -12.414 -25.860 8.369 1.00 0.00 H new ATOM 0 HG22 THR A 36 -12.650 -26.676 6.805 1.00 0.00 H new ATOM 0 HG23 THR A 36 -13.104 -24.966 6.994 1.00 0.00 H new ATOM 437 N ILE A 37 -14.738 -28.725 6.158 1.00 0.00 N ATOM 438 CA ILE A 37 -14.181 -29.807 5.351 1.00 0.00 C ATOM 439 C ILE A 37 -15.124 -30.161 4.212 1.00 0.00 C ATOM 440 O ILE A 37 -14.687 -30.472 3.105 1.00 0.00 O ATOM 441 CB ILE A 37 -13.954 -31.078 6.190 1.00 0.00 C ATOM 442 CG1 ILE A 37 -12.856 -30.842 7.229 1.00 0.00 C ATOM 443 CG2 ILE A 37 -13.534 -32.237 5.299 1.00 0.00 C ATOM 444 CD1 ILE A 37 -12.737 -31.948 8.255 1.00 0.00 C ATOM 0 H ILE A 37 -15.094 -29.024 7.066 1.00 0.00 H new ATOM 0 HA ILE A 37 -13.227 -29.453 4.962 1.00 0.00 H new ATOM 0 HB ILE A 37 -14.892 -31.319 6.690 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -11.901 -30.731 6.716 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -13.052 -29.901 7.744 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -13.378 -33.127 5.909 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -14.315 -32.433 4.564 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -12.607 -31.983 4.784 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -11.938 -31.709 8.957 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -13.678 -32.045 8.796 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -12.509 -32.888 7.752 1.00 0.00 H new ATOM 456 N GLY A 38 -16.420 -30.109 4.502 1.00 0.00 N ATOM 457 CA GLY A 38 -17.454 -30.419 3.517 1.00 0.00 C ATOM 458 C GLY A 38 -17.480 -29.366 2.422 1.00 0.00 C ATOM 459 O GLY A 38 -17.513 -29.688 1.236 1.00 0.00 O ATOM 0 H GLY A 38 -16.783 -29.853 5.420 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -17.267 -31.400 3.081 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -18.427 -30.468 4.006 1.00 0.00 H new ATOM 463 N ILE A 39 -17.464 -28.103 2.839 1.00 0.00 N ATOM 464 CA ILE A 39 -17.486 -26.976 1.913 1.00 0.00 C ATOM 465 C ILE A 39 -16.290 -27.031 0.976 1.00 0.00 C ATOM 466 O ILE A 39 -16.415 -26.794 -0.223 1.00 0.00 O ATOM 467 CB ILE A 39 -17.439 -25.630 2.660 1.00 0.00 C ATOM 468 CG1 ILE A 39 -18.730 -25.415 3.453 1.00 0.00 C ATOM 469 CG2 ILE A 39 -17.279 -24.480 1.678 1.00 0.00 C ATOM 470 CD1 ILE A 39 -19.975 -25.378 2.594 1.00 0.00 C ATOM 0 H ILE A 39 -17.436 -27.833 3.822 1.00 0.00 H new ATOM 0 HA ILE A 39 -18.417 -27.049 1.350 1.00 0.00 H new ATOM 0 HB ILE A 39 -16.587 -25.655 3.339 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -18.831 -26.213 4.188 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -18.654 -24.479 4.007 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -17.248 -23.537 2.224 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -16.352 -24.606 1.118 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -18.122 -24.472 0.987 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -20.849 -25.222 3.227 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -19.897 -24.562 1.875 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -20.077 -26.323 2.060 1.00 0.00 H new ATOM 482 N LYS A 40 -15.130 -27.349 1.545 1.00 0.00 N ATOM 483 CA LYS A 40 -13.888 -27.444 0.782 1.00 0.00 C ATOM 484 C LYS A 40 -14.039 -28.439 -0.357 1.00 0.00 C ATOM 485 O LYS A 40 -13.635 -28.171 -1.486 1.00 0.00 O ATOM 486 CB LYS A 40 -12.741 -27.908 1.681 1.00 0.00 C ATOM 487 CG LYS A 40 -11.395 -27.987 0.980 1.00 0.00 C ATOM 488 CD LYS A 40 -10.293 -28.400 1.943 1.00 0.00 C ATOM 489 CE LYS A 40 -8.950 -28.493 1.238 1.00 0.00 C ATOM 490 NZ LYS A 40 -7.859 -28.884 2.172 1.00 0.00 N ATOM 0 H LYS A 40 -15.024 -27.547 2.540 1.00 0.00 H new ATOM 0 HA LYS A 40 -13.667 -26.454 0.382 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -12.658 -27.226 2.527 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -12.986 -28.890 2.086 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -11.451 -28.703 0.160 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -11.154 -27.019 0.542 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.229 -27.678 2.757 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -10.539 -29.363 2.389 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -9.014 -29.221 0.429 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -8.711 -27.532 0.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -6.960 -28.936 1.653 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -7.780 -28.176 2.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -8.074 -29.813 2.587 1.00 0.00 H new ATOM 504 N LEU A 41 -14.626 -29.590 -0.042 1.00 0.00 N ATOM 505 CA LEU A 41 -14.845 -30.649 -1.022 1.00 0.00 C ATOM 506 C LEU A 41 -15.612 -30.114 -2.220 1.00 0.00 C ATOM 507 O LEU A 41 -15.401 -30.548 -3.350 1.00 0.00 O ATOM 508 CB LEU A 41 -15.650 -31.793 -0.403 1.00 0.00 C ATOM 509 CG LEU A 41 -15.817 -33.047 -1.264 1.00 0.00 C ATOM 510 CD1 LEU A 41 -14.469 -33.695 -1.538 1.00 0.00 C ATOM 511 CD2 LEU A 41 -16.700 -34.068 -0.562 1.00 0.00 C ATOM 0 H LEU A 41 -14.962 -29.814 0.895 1.00 0.00 H new ATOM 0 HA LEU A 41 -13.869 -31.014 -1.341 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -15.171 -32.082 0.533 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -16.641 -31.417 -0.151 1.00 0.00 H new ATOM 0 HG LEU A 41 -16.279 -32.738 -2.202 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -14.611 -34.585 -2.152 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -13.827 -32.990 -2.065 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -14.002 -33.976 -0.594 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -16.806 -34.952 -1.191 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -16.245 -34.351 0.387 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -17.683 -33.634 -0.378 1.00 0.00 H new ATOM 523 N PHE A 42 -16.507 -29.166 -1.954 1.00 0.00 N ATOM 524 CA PHE A 42 -17.324 -28.550 -2.995 1.00 0.00 C ATOM 525 C PHE A 42 -16.446 -27.839 -4.009 1.00 0.00 C ATOM 526 O PHE A 42 -16.654 -27.956 -5.215 1.00 0.00 O ATOM 527 CB PHE A 42 -18.285 -27.527 -2.386 1.00 0.00 C ATOM 528 CG PHE A 42 -19.175 -26.857 -3.394 1.00 0.00 C ATOM 529 CD1 PHE A 42 -20.282 -27.511 -3.906 1.00 0.00 C ATOM 530 CD2 PHE A 42 -18.904 -25.572 -3.831 1.00 0.00 C ATOM 531 CE1 PHE A 42 -21.100 -26.894 -4.833 1.00 0.00 C ATOM 532 CE2 PHE A 42 -19.722 -24.955 -4.759 1.00 0.00 C ATOM 533 CZ PHE A 42 -20.816 -25.610 -5.259 1.00 0.00 C ATOM 0 H PHE A 42 -16.685 -28.805 -1.017 1.00 0.00 H new ATOM 0 HA PHE A 42 -17.889 -29.342 -3.486 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -18.906 -28.024 -1.641 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -17.707 -26.766 -1.863 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -20.509 -28.514 -3.577 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -18.044 -25.046 -3.443 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -21.961 -27.415 -5.225 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -19.497 -23.952 -5.091 1.00 0.00 H new ATOM 0 HZ PHE A 42 -21.454 -25.125 -5.983 1.00 0.00 H new ATOM 543 N LYS A 43 -15.464 -27.099 -3.502 1.00 0.00 N ATOM 544 CA LYS A 43 -14.533 -26.354 -4.344 1.00 0.00 C ATOM 545 C LYS A 43 -13.594 -27.301 -5.072 1.00 0.00 C ATOM 546 O LYS A 43 -13.330 -27.140 -6.260 1.00 0.00 O ATOM 547 CB LYS A 43 -13.691 -25.398 -3.496 1.00 0.00 C ATOM 548 CG LYS A 43 -14.470 -24.223 -2.928 1.00 0.00 C ATOM 549 CD LYS A 43 -13.572 -23.309 -2.111 1.00 0.00 C ATOM 550 CE LYS A 43 -14.350 -22.134 -1.542 1.00 0.00 C ATOM 551 NZ LYS A 43 -13.486 -21.237 -0.727 1.00 0.00 N ATOM 0 H LYS A 43 -15.292 -26.999 -2.502 1.00 0.00 H new ATOM 0 HA LYS A 43 -15.121 -25.789 -5.067 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.245 -25.956 -2.673 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -12.871 -25.017 -4.104 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -14.924 -23.658 -3.742 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -15.283 -24.591 -2.303 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -13.117 -23.875 -1.298 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -12.759 -22.941 -2.737 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -14.796 -21.565 -2.358 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -15.170 -22.505 -0.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -14.055 -20.449 -0.358 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -13.080 -21.773 0.067 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -12.718 -20.862 -1.320 1.00 0.00 H new ATOM 565 N LYS A 44 -13.098 -28.295 -4.338 1.00 0.00 N ATOM 566 CA LYS A 44 -12.184 -29.290 -4.888 1.00 0.00 C ATOM 567 C LYS A 44 -12.933 -30.268 -5.779 1.00 0.00 C ATOM 568 O LYS A 44 -12.486 -30.592 -6.877 1.00 0.00 O ATOM 569 CB LYS A 44 -11.511 -30.079 -3.763 1.00 0.00 C ATOM 570 CG LYS A 44 -10.500 -29.277 -2.960 1.00 0.00 C ATOM 571 CD LYS A 44 -9.311 -28.873 -3.817 1.00 0.00 C ATOM 572 CE LYS A 44 -8.278 -28.111 -3.003 1.00 0.00 C ATOM 573 NZ LYS A 44 -7.124 -27.676 -3.837 1.00 0.00 N ATOM 0 H LYS A 44 -13.317 -28.432 -3.351 1.00 0.00 H new ATOM 0 HA LYS A 44 -11.431 -28.761 -5.472 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -12.279 -30.455 -3.087 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.011 -30.948 -4.192 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.979 -28.386 -2.555 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -10.155 -29.868 -2.111 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -8.853 -29.762 -4.249 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.652 -28.254 -4.647 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -8.746 -27.238 -2.548 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -7.920 -28.742 -2.189 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -6.442 -27.160 -3.245 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -6.661 -28.510 -4.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.461 -27.054 -4.599 1.00 0.00 H new ATOM 587 N PHE A 45 -14.079 -30.729 -5.287 1.00 0.00 N ATOM 588 CA PHE A 45 -14.917 -31.675 -6.019 1.00 0.00 C ATOM 589 C PHE A 45 -15.652 -30.971 -7.149 1.00 0.00 C ATOM 590 O PHE A 45 -15.747 -31.490 -8.259 1.00 0.00 O ATOM 591 CB PHE A 45 -15.953 -32.306 -5.087 1.00 0.00 C ATOM 592 CG PHE A 45 -16.831 -33.324 -5.757 1.00 0.00 C ATOM 593 CD1 PHE A 45 -16.364 -34.601 -6.011 1.00 0.00 C ATOM 594 CD2 PHE A 45 -18.124 -33.004 -6.132 1.00 0.00 C ATOM 595 CE1 PHE A 45 -17.172 -35.538 -6.628 1.00 0.00 C ATOM 596 CE2 PHE A 45 -18.932 -33.941 -6.748 1.00 0.00 C ATOM 597 CZ PHE A 45 -18.461 -35.203 -6.996 1.00 0.00 C ATOM 0 H PHE A 45 -14.452 -30.460 -4.376 1.00 0.00 H new ATOM 0 HA PHE A 45 -14.267 -32.449 -6.426 1.00 0.00 H new ATOM 0 HB2 PHE A 45 -15.436 -32.779 -4.252 1.00 0.00 H new ATOM 0 HB3 PHE A 45 -16.580 -31.518 -4.669 1.00 0.00 H new ATOM 0 HD1 PHE A 45 -15.358 -34.869 -5.724 1.00 0.00 H new ATOM 0 HD2 PHE A 45 -18.506 -32.012 -5.941 1.00 0.00 H new ATOM 0 HE1 PHE A 45 -16.796 -36.532 -6.822 1.00 0.00 H new ATOM 0 HE2 PHE A 45 -19.939 -33.677 -7.035 1.00 0.00 H new ATOM 0 HZ PHE A 45 -19.095 -35.933 -7.477 1.00 0.00 H new ATOM 607 N THR A 46 -16.168 -29.783 -6.848 1.00 0.00 N ATOM 608 CA THR A 46 -16.902 -28.980 -7.822 1.00 0.00 C ATOM 609 C THR A 46 -15.945 -28.345 -8.816 1.00 0.00 C ATOM 610 O THR A 46 -16.196 -28.339 -10.019 1.00 0.00 O ATOM 611 CB THR A 46 -17.695 -27.850 -7.139 1.00 0.00 C ATOM 612 OG1 THR A 46 -18.660 -28.414 -6.242 1.00 0.00 O ATOM 613 CG2 THR A 46 -18.420 -27.006 -8.176 1.00 0.00 C ATOM 0 H THR A 46 -16.090 -29.351 -5.927 1.00 0.00 H new ATOM 0 HA THR A 46 -17.592 -29.652 -8.332 1.00 0.00 H new ATOM 0 HB THR A 46 -16.996 -27.220 -6.589 1.00 0.00 H new ATOM 0 HG1 THR A 46 -18.549 -28.019 -5.352 1.00 0.00 H new ATOM 0 HG21 THR A 46 -18.975 -26.212 -7.676 1.00 0.00 H new ATOM 0 HG22 THR A 46 -17.694 -26.566 -8.859 1.00 0.00 H new ATOM 0 HG23 THR A 46 -19.112 -27.634 -8.737 1.00 0.00 H new ATOM 621 N SER A 47 -14.845 -27.810 -8.295 1.00 0.00 N ATOM 622 CA SER A 47 -13.827 -27.159 -9.116 1.00 0.00 C ATOM 623 C SER A 47 -13.004 -28.198 -9.862 1.00 0.00 C ATOM 624 O SER A 47 -12.702 -28.034 -11.041 1.00 0.00 O ATOM 625 CB SER A 47 -12.884 -26.329 -8.242 1.00 0.00 C ATOM 626 OG SER A 47 -11.884 -25.701 -9.025 1.00 0.00 O ATOM 0 H SER A 47 -14.634 -27.815 -7.297 1.00 0.00 H new ATOM 0 HA SER A 47 -14.337 -26.510 -9.828 1.00 0.00 H new ATOM 0 HB2 SER A 47 -13.455 -25.574 -7.701 1.00 0.00 H new ATOM 0 HB3 SER A 47 -12.416 -26.971 -7.495 1.00 0.00 H new ATOM 0 HG SER A 47 -11.295 -25.176 -8.444 1.00 0.00 H new ATOM 632 N LYS A 48 -12.649 -29.266 -9.154 1.00 0.00 N ATOM 633 CA LYS A 48 -11.857 -30.353 -9.724 1.00 0.00 C ATOM 634 C LYS A 48 -12.712 -31.209 -10.644 1.00 0.00 C ATOM 635 O LYS A 48 -12.266 -31.629 -11.710 1.00 0.00 O ATOM 636 CB LYS A 48 -11.296 -31.246 -8.615 1.00 0.00 C ATOM 637 CG LYS A 48 -10.209 -30.590 -7.780 1.00 0.00 C ATOM 638 CD LYS A 48 -8.970 -30.305 -8.612 1.00 0.00 C ATOM 639 CE LYS A 48 -7.866 -29.692 -7.766 1.00 0.00 C ATOM 640 NZ LYS A 48 -6.658 -29.372 -8.576 1.00 0.00 N ATOM 0 H LYS A 48 -12.900 -29.403 -8.175 1.00 0.00 H new ATOM 0 HA LYS A 48 -11.039 -29.907 -10.289 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -12.112 -31.547 -7.958 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.896 -32.155 -9.063 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.586 -29.660 -7.355 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -9.947 -31.240 -6.945 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.613 -31.230 -9.065 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -9.225 -29.628 -9.427 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.235 -28.783 -7.290 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.595 -30.382 -6.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -5.929 -28.956 -7.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -6.290 -30.243 -9.010 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -6.910 -28.693 -9.323 1.00 0.00 H new ATOM 654 N ALA A 49 -13.946 -31.458 -10.215 1.00 0.00 N ATOM 655 CA ALA A 49 -14.891 -32.264 -10.983 1.00 0.00 C ATOM 0 H ALA A 49 -14.318 -31.110 -9.331 1.00 0.00 H new TER 658 ALA A 49