USER MOD reduce.3.24.130724 H: found=0, std=0, add=132, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 133 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 53 THR OG1 : rot 106:sc= 0.0594 USER MOD Single : A 65 GLN : amide:sc= 0.14 K(o=0.14,f=-7.3!) USER MOD Single : A 66 GLN : amide:sc= -1.84 K(o=-1.8,f=-6!) USER MOD ----------------------------------------------------------------- ATOM 35 N ASP A 52 3.460 -0.461 6.408 1.00 1.00 N ATOM 36 CA ASP A 52 3.458 -1.917 6.780 1.00 1.00 C ATOM 37 C ASP A 52 2.028 -2.483 6.791 1.00 1.00 C ATOM 38 O ASP A 52 1.689 -3.284 7.639 1.00 1.00 O ATOM 39 CB ASP A 52 4.097 -2.059 8.188 1.00 1.00 C ATOM 40 CG ASP A 52 3.202 -1.421 9.288 1.00 1.00 C ATOM 41 OD1 ASP A 52 2.514 -0.452 8.982 1.00 1.00 O ATOM 42 OD2 ASP A 52 3.264 -1.944 10.389 1.00 1.00 O ATOM 0 HA ASP A 52 4.030 -2.481 6.043 1.00 1.00 H new ATOM 0 HB2 ASP A 52 4.254 -3.114 8.412 1.00 1.00 H new ATOM 0 HB3 ASP A 52 5.077 -1.582 8.193 1.00 1.00 H new ATOM 47 N THR A 53 1.220 -2.064 5.859 1.00 1.00 N ATOM 48 CA THR A 53 -0.194 -2.542 5.775 1.00 1.00 C ATOM 49 C THR A 53 -0.377 -3.766 4.930 1.00 1.00 C ATOM 50 O THR A 53 -0.974 -4.776 5.265 1.00 1.00 O ATOM 51 CB THR A 53 -1.001 -1.348 5.241 1.00 1.00 C ATOM 52 OG1 THR A 53 -0.241 -0.978 4.090 1.00 1.00 O ATOM 53 CG2 THR A 53 -0.866 -0.113 6.162 1.00 1.00 C ATOM 0 H THR A 53 1.483 -1.396 5.135 1.00 1.00 H new ATOM 0 HA THR A 53 -0.537 -2.864 6.758 1.00 1.00 H new ATOM 0 HB THR A 53 -2.053 -1.606 5.115 1.00 1.00 H new ATOM 0 HG1 THR A 53 -0.718 -1.255 3.280 1.00 1.00 H new ATOM 0 HG21 THR A 53 -1.450 0.712 5.753 1.00 1.00 H new ATOM 0 HG22 THR A 53 -1.235 -0.360 7.158 1.00 1.00 H new ATOM 0 HG23 THR A 53 0.182 0.181 6.225 1.00 1.00 H new ATOM 61 N TRP A 54 0.204 -3.576 3.807 1.00 1.00 N ATOM 62 CA TRP A 54 0.182 -4.618 2.765 1.00 1.00 C ATOM 63 C TRP A 54 0.650 -5.994 3.241 1.00 1.00 C ATOM 64 O TRP A 54 0.411 -6.992 2.587 1.00 1.00 O ATOM 65 CB TRP A 54 1.038 -4.108 1.601 1.00 1.00 C ATOM 66 CG TRP A 54 0.344 -2.835 1.106 1.00 1.00 C ATOM 67 CD1 TRP A 54 0.670 -1.524 1.357 1.00 1.00 C ATOM 68 CD2 TRP A 54 -0.766 -2.785 0.307 1.00 1.00 C ATOM 69 NE1 TRP A 54 -0.163 -0.705 0.768 1.00 1.00 N ATOM 70 CE2 TRP A 54 -1.043 -1.433 0.126 1.00 1.00 C ATOM 71 CE3 TRP A 54 -1.567 -3.757 -0.279 1.00 1.00 C ATOM 72 CZ2 TRP A 54 -2.136 -1.057 -0.655 1.00 1.00 C ATOM 73 CZ3 TRP A 54 -2.658 -3.384 -1.058 1.00 1.00 C ATOM 74 CH2 TRP A 54 -2.942 -2.033 -1.246 1.00 1.00 C ATOM 0 H TRP A 54 0.707 -2.726 3.554 1.00 1.00 H new ATOM 0 HA TRP A 54 -0.852 -4.783 2.461 1.00 1.00 H new ATOM 0 HB2 TRP A 54 2.057 -3.898 1.926 1.00 1.00 H new ATOM 0 HB3 TRP A 54 1.104 -4.852 0.807 1.00 1.00 H new ATOM 0 HD1 TRP A 54 1.507 -1.210 1.963 1.00 1.00 H new ATOM 0 HE1 TRP A 54 -0.133 0.314 0.802 1.00 1.00 H new ATOM 0 HE3 TRP A 54 -1.343 -4.803 -0.130 1.00 1.00 H new ATOM 0 HZ2 TRP A 54 -2.359 -0.011 -0.803 1.00 1.00 H new ATOM 0 HZ3 TRP A 54 -3.282 -4.138 -1.515 1.00 1.00 H new ATOM 0 HH2 TRP A 54 -3.788 -1.740 -1.850 1.00 1.00 H new ATOM 85 N ALA A 55 1.296 -6.013 4.375 1.00 1.00 N ATOM 86 CA ALA A 55 1.785 -7.319 4.912 1.00 1.00 C ATOM 87 C ALA A 55 0.566 -8.156 5.333 1.00 1.00 C ATOM 88 O ALA A 55 0.539 -9.367 5.203 1.00 1.00 O ATOM 89 CB ALA A 55 2.693 -7.051 6.120 1.00 1.00 C ATOM 0 H ALA A 55 1.505 -5.195 4.947 1.00 1.00 H new ATOM 0 HA ALA A 55 2.354 -7.862 4.157 1.00 1.00 H new ATOM 0 HB1 ALA A 55 3.056 -7.998 6.520 1.00 1.00 H new ATOM 0 HB2 ALA A 55 3.541 -6.440 5.810 1.00 1.00 H new ATOM 0 HB3 ALA A 55 2.129 -6.525 6.890 1.00 1.00 H new ATOM 95 N GLY A 56 -0.428 -7.460 5.822 1.00 1.00 N ATOM 96 CA GLY A 56 -1.671 -8.152 6.273 1.00 1.00 C ATOM 97 C GLY A 56 -2.353 -8.619 5.004 1.00 1.00 C ATOM 98 O GLY A 56 -2.785 -9.747 4.886 1.00 1.00 O ATOM 0 H GLY A 56 -0.432 -6.446 5.928 1.00 1.00 H new ATOM 0 HA2 GLY A 56 -1.438 -8.993 6.926 1.00 1.00 H new ATOM 0 HA3 GLY A 56 -2.313 -7.477 6.839 1.00 1.00 H new ATOM 102 N VAL A 57 -2.414 -7.711 4.073 1.00 1.00 N ATOM 103 CA VAL A 57 -3.047 -8.000 2.766 1.00 1.00 C ATOM 104 C VAL A 57 -2.445 -9.288 2.181 1.00 1.00 C ATOM 105 O VAL A 57 -3.169 -10.184 1.788 1.00 1.00 O ATOM 106 CB VAL A 57 -2.791 -6.759 1.887 1.00 1.00 C ATOM 107 CG1 VAL A 57 -3.355 -6.992 0.485 1.00 1.00 C ATOM 108 CG2 VAL A 57 -3.485 -5.507 2.500 1.00 1.00 C ATOM 0 H VAL A 57 -2.044 -6.765 4.168 1.00 1.00 H new ATOM 0 HA VAL A 57 -4.120 -8.177 2.840 1.00 1.00 H new ATOM 0 HB VAL A 57 -1.715 -6.591 1.836 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -3.171 -6.112 -0.132 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -2.868 -7.858 0.036 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -4.428 -7.172 0.550 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -3.295 -4.640 1.868 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -4.559 -5.681 2.564 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -3.087 -5.323 3.498 1.00 1.00 H new ATOM 118 N GLU A 58 -1.141 -9.368 2.134 1.00 1.00 N ATOM 119 CA GLU A 58 -0.538 -10.612 1.571 1.00 1.00 C ATOM 120 C GLU A 58 -0.918 -11.873 2.339 1.00 1.00 C ATOM 121 O GLU A 58 -0.854 -12.963 1.813 1.00 1.00 O ATOM 122 CB GLU A 58 0.983 -10.524 1.572 1.00 1.00 C ATOM 123 CG GLU A 58 1.473 -9.829 0.293 1.00 1.00 C ATOM 124 CD GLU A 58 2.826 -10.449 -0.082 1.00 1.00 C ATOM 125 OE1 GLU A 58 3.810 -9.966 0.453 1.00 1.00 O ATOM 126 OE2 GLU A 58 2.793 -11.375 -0.880 1.00 1.00 O ATOM 0 H GLU A 58 -0.486 -8.652 2.449 1.00 1.00 H new ATOM 0 HA GLU A 58 -0.934 -10.686 0.558 1.00 1.00 H new ATOM 0 HB2 GLU A 58 1.322 -9.971 2.448 1.00 1.00 H new ATOM 0 HB3 GLU A 58 1.413 -11.523 1.639 1.00 1.00 H new ATOM 0 HG2 GLU A 58 0.754 -9.962 -0.515 1.00 1.00 H new ATOM 0 HG3 GLU A 58 1.575 -8.756 0.455 1.00 1.00 H new ATOM 133 N ALA A 59 -1.314 -11.723 3.566 1.00 1.00 N ATOM 134 CA ALA A 59 -1.689 -12.947 4.339 1.00 1.00 C ATOM 135 C ALA A 59 -2.924 -13.545 3.666 1.00 1.00 C ATOM 136 O ALA A 59 -3.177 -14.731 3.721 1.00 1.00 O ATOM 137 CB ALA A 59 -1.996 -12.550 5.795 1.00 1.00 C ATOM 0 H ALA A 59 -1.396 -10.836 4.062 1.00 1.00 H new ATOM 0 HA ALA A 59 -0.881 -13.678 4.352 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -2.270 -13.438 6.364 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -1.113 -12.091 6.241 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -2.822 -11.839 5.812 1.00 1.00 H new ATOM 143 N ILE A 60 -3.651 -12.668 3.033 1.00 1.00 N ATOM 144 CA ILE A 60 -4.893 -13.082 2.322 1.00 1.00 C ATOM 145 C ILE A 60 -4.510 -13.726 0.976 1.00 1.00 C ATOM 146 O ILE A 60 -4.886 -14.843 0.673 1.00 1.00 O ATOM 147 CB ILE A 60 -5.773 -11.818 2.100 1.00 1.00 C ATOM 148 CG1 ILE A 60 -5.719 -10.902 3.366 1.00 1.00 C ATOM 149 CG2 ILE A 60 -7.237 -12.270 1.875 1.00 1.00 C ATOM 150 CD1 ILE A 60 -6.345 -9.549 3.058 1.00 1.00 C ATOM 0 H ILE A 60 -3.436 -11.672 2.977 1.00 1.00 H new ATOM 0 HA ILE A 60 -5.454 -13.811 2.907 1.00 1.00 H new ATOM 0 HB ILE A 60 -5.404 -11.264 1.237 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -6.249 -11.377 4.192 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -4.685 -10.769 3.685 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -7.868 -11.395 1.718 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -7.288 -12.916 0.999 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -7.587 -12.817 2.750 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -6.303 -8.918 3.946 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -5.797 -9.071 2.246 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -7.384 -9.688 2.761 1.00 1.00 H new ATOM 162 N ILE A 61 -3.747 -13.005 0.194 1.00 1.00 N ATOM 163 CA ILE A 61 -3.339 -13.557 -1.131 1.00 1.00 C ATOM 164 C ILE A 61 -2.567 -14.863 -0.905 1.00 1.00 C ATOM 165 O ILE A 61 -2.693 -15.802 -1.669 1.00 1.00 O ATOM 166 CB ILE A 61 -2.520 -12.435 -1.864 1.00 1.00 C ATOM 167 CG1 ILE A 61 -1.129 -12.267 -1.319 1.00 1.00 C ATOM 168 CG2 ILE A 61 -3.278 -11.078 -1.801 1.00 1.00 C ATOM 169 CD1 ILE A 61 -0.217 -13.268 -1.995 1.00 1.00 C ATOM 0 H ILE A 61 -3.394 -12.073 0.411 1.00 1.00 H new ATOM 0 HA ILE A 61 -4.183 -13.818 -1.770 1.00 1.00 H new ATOM 0 HB ILE A 61 -2.421 -12.757 -2.901 1.00 1.00 H new ATOM 0 HG12 ILE A 61 -0.774 -11.252 -1.497 1.00 1.00 H new ATOM 0 HG13 ILE A 61 -1.125 -12.421 -0.240 1.00 1.00 H new ATOM 0 HG21 ILE A 61 -2.696 -10.312 -2.314 1.00 1.00 H new ATOM 0 HG22 ILE A 61 -4.249 -11.181 -2.285 1.00 1.00 H new ATOM 0 HG23 ILE A 61 -3.421 -10.789 -0.760 1.00 1.00 H new ATOM 0 HD11 ILE A 61 0.796 -13.156 -1.608 1.00 1.00 H new ATOM 0 HD12 ILE A 61 -0.573 -14.278 -1.794 1.00 1.00 H new ATOM 0 HD13 ILE A 61 -0.216 -13.091 -3.071 1.00 1.00 H new ATOM 181 N ARG A 62 -1.792 -14.910 0.152 1.00 1.00 N ATOM 182 CA ARG A 62 -1.020 -16.159 0.412 1.00 1.00 C ATOM 183 C ARG A 62 -1.923 -17.370 0.627 1.00 1.00 C ATOM 184 O ARG A 62 -1.433 -18.478 0.550 1.00 1.00 O ATOM 185 CB ARG A 62 -0.110 -15.984 1.644 1.00 1.00 C ATOM 186 CG ARG A 62 1.174 -15.221 1.197 1.00 1.00 C ATOM 187 CD ARG A 62 2.326 -15.534 2.158 1.00 1.00 C ATOM 188 NE ARG A 62 1.903 -15.197 3.546 1.00 1.00 N ATOM 189 CZ ARG A 62 2.534 -15.732 4.558 1.00 1.00 C ATOM 190 NH1 ARG A 62 3.781 -15.418 4.768 1.00 1.00 N ATOM 191 NH2 ARG A 62 1.897 -16.568 5.327 1.00 1.00 N ATOM 0 H ARG A 62 -1.664 -14.157 0.828 1.00 1.00 H new ATOM 0 HA ARG A 62 -0.417 -16.342 -0.477 1.00 1.00 H new ATOM 0 HB2 ARG A 62 -0.630 -15.429 2.425 1.00 1.00 H new ATOM 0 HB3 ARG A 62 0.152 -16.955 2.064 1.00 1.00 H new ATOM 0 HG2 ARG A 62 1.446 -15.512 0.182 1.00 1.00 H new ATOM 0 HG3 ARG A 62 0.983 -14.148 1.181 1.00 1.00 H new ATOM 0 HD2 ARG A 62 2.596 -16.588 2.092 1.00 1.00 H new ATOM 0 HD3 ARG A 62 3.211 -14.960 1.884 1.00 1.00 H new ATOM 0 HE ARG A 62 1.127 -14.554 3.705 1.00 1.00 H new ATOM 0 HH11 ARG A 62 4.253 -14.762 4.146 1.00 1.00 H new ATOM 0 HH12 ARG A 62 4.285 -15.828 5.554 1.00 1.00 H new ATOM 0 HH21 ARG A 62 0.921 -16.796 5.135 1.00 1.00 H new ATOM 0 HH22 ARG A 62 2.374 -16.995 6.121 1.00 1.00 H new ATOM 205 N ILE A 63 -3.188 -17.167 0.894 1.00 1.00 N ATOM 206 CA ILE A 63 -4.107 -18.335 1.099 1.00 1.00 C ATOM 207 C ILE A 63 -5.168 -18.370 -0.036 1.00 1.00 C ATOM 208 O ILE A 63 -5.714 -19.402 -0.378 1.00 1.00 O ATOM 209 CB ILE A 63 -4.744 -18.184 2.519 1.00 1.00 C ATOM 210 CG1 ILE A 63 -5.718 -19.332 2.762 1.00 1.00 C ATOM 211 CG2 ILE A 63 -5.507 -16.876 2.691 1.00 1.00 C ATOM 212 CD1 ILE A 63 -5.755 -19.657 4.253 1.00 1.00 C ATOM 0 H ILE A 63 -3.625 -16.250 0.979 1.00 1.00 H new ATOM 0 HA ILE A 63 -3.575 -19.285 1.053 1.00 1.00 H new ATOM 0 HB ILE A 63 -3.921 -18.194 3.234 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -6.714 -19.059 2.413 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -5.411 -20.210 2.194 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -5.926 -16.829 3.696 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -4.828 -16.036 2.541 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -6.313 -16.826 1.959 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -6.451 -20.477 4.429 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -4.759 -19.948 4.587 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -6.082 -18.778 4.809 1.00 1.00 H new ATOM 224 N LEU A 64 -5.378 -17.209 -0.592 1.00 1.00 N ATOM 225 CA LEU A 64 -6.344 -16.933 -1.696 1.00 1.00 C ATOM 226 C LEU A 64 -6.120 -17.907 -2.841 1.00 1.00 C ATOM 227 O LEU A 64 -6.834 -18.881 -2.984 1.00 1.00 O ATOM 228 CB LEU A 64 -6.118 -15.463 -2.127 1.00 1.00 C ATOM 229 CG LEU A 64 -7.146 -14.959 -3.158 1.00 1.00 C ATOM 230 CD1 LEU A 64 -8.519 -14.772 -2.477 1.00 1.00 C ATOM 231 CD2 LEU A 64 -6.668 -13.598 -3.703 1.00 1.00 C ATOM 0 H LEU A 64 -4.874 -16.373 -0.297 1.00 1.00 H new ATOM 0 HA LEU A 64 -7.377 -17.069 -1.375 1.00 1.00 H new ATOM 0 HB2 LEU A 64 -6.157 -14.824 -1.245 1.00 1.00 H new ATOM 0 HB3 LEU A 64 -5.117 -15.366 -2.547 1.00 1.00 H new ATOM 0 HG LEU A 64 -7.240 -15.683 -3.968 1.00 1.00 H new ATOM 0 HD11 LEU A 64 -9.243 -14.415 -3.210 1.00 1.00 H new ATOM 0 HD12 LEU A 64 -8.855 -15.725 -2.069 1.00 1.00 H new ATOM 0 HD13 LEU A 64 -8.429 -14.043 -1.671 1.00 1.00 H new ATOM 0 HD21 LEU A 64 -7.385 -13.227 -4.435 1.00 1.00 H new ATOM 0 HD22 LEU A 64 -6.586 -12.886 -2.882 1.00 1.00 H new ATOM 0 HD23 LEU A 64 -5.694 -13.718 -4.178 1.00 1.00 H new ATOM 243 N GLN A 65 -5.132 -17.658 -3.656 1.00 1.00 N ATOM 244 CA GLN A 65 -4.945 -18.630 -4.755 1.00 1.00 C ATOM 245 C GLN A 65 -4.342 -19.907 -4.230 1.00 1.00 C ATOM 246 O GLN A 65 -4.175 -20.836 -4.991 1.00 1.00 O ATOM 247 CB GLN A 65 -4.029 -18.038 -5.858 1.00 1.00 C ATOM 248 CG GLN A 65 -2.767 -17.369 -5.269 1.00 1.00 C ATOM 249 CD GLN A 65 -2.993 -15.865 -5.234 1.00 1.00 C ATOM 250 OE1 GLN A 65 -3.633 -15.345 -4.345 1.00 1.00 O ATOM 251 NE2 GLN A 65 -2.499 -15.118 -6.176 1.00 1.00 N ATOM 0 H GLN A 65 -4.484 -16.872 -3.613 1.00 1.00 H new ATOM 0 HA GLN A 65 -5.923 -18.846 -5.185 1.00 1.00 H new ATOM 0 HB2 GLN A 65 -3.732 -18.830 -6.545 1.00 1.00 H new ATOM 0 HB3 GLN A 65 -4.589 -17.306 -6.439 1.00 1.00 H new ATOM 0 HG2 GLN A 65 -2.571 -17.747 -4.265 1.00 1.00 H new ATOM 0 HG3 GLN A 65 -1.893 -17.607 -5.876 1.00 1.00 H new ATOM 0 HE21 GLN A 65 -1.958 -15.540 -6.931 1.00 1.00 H new ATOM 0 HE22 GLN A 65 -2.652 -14.110 -6.160 1.00 1.00 H new ATOM 260 N GLN A 66 -4.044 -19.963 -2.963 1.00 1.00 N ATOM 261 CA GLN A 66 -3.445 -21.240 -2.467 1.00 1.00 C ATOM 262 C GLN A 66 -4.558 -22.258 -2.262 1.00 1.00 C ATOM 263 O GLN A 66 -4.353 -23.445 -2.429 1.00 1.00 O ATOM 264 CB GLN A 66 -2.692 -20.978 -1.142 1.00 1.00 C ATOM 265 CG GLN A 66 -1.185 -20.711 -1.420 1.00 1.00 C ATOM 266 CD GLN A 66 -0.972 -19.492 -2.326 1.00 1.00 C ATOM 267 OE1 GLN A 66 -1.331 -19.483 -3.483 1.00 1.00 O ATOM 268 NE2 GLN A 66 -0.393 -18.432 -1.860 1.00 1.00 N ATOM 0 H GLN A 66 -4.179 -19.222 -2.275 1.00 1.00 H new ATOM 0 HA GLN A 66 -2.734 -21.631 -3.195 1.00 1.00 H new ATOM 0 HB2 GLN A 66 -3.131 -20.122 -0.630 1.00 1.00 H new ATOM 0 HB3 GLN A 66 -2.800 -21.836 -0.479 1.00 1.00 H new ATOM 0 HG2 GLN A 66 -0.665 -20.555 -0.475 1.00 1.00 H new ATOM 0 HG3 GLN A 66 -0.742 -21.591 -1.887 1.00 1.00 H new ATOM 0 HE21 GLN A 66 -0.079 -18.407 -0.890 1.00 1.00 H new ATOM 0 HE22 GLN A 66 -0.251 -17.622 -2.463 1.00 1.00 H new ATOM 277 N LEU A 67 -5.721 -21.771 -1.924 1.00 1.00 N ATOM 278 CA LEU A 67 -6.856 -22.714 -1.705 1.00 1.00 C ATOM 279 C LEU A 67 -7.557 -22.918 -3.046 1.00 1.00 C ATOM 280 O LEU A 67 -8.124 -23.952 -3.352 1.00 1.00 O ATOM 281 CB LEU A 67 -7.761 -22.081 -0.600 1.00 1.00 C ATOM 282 CG LEU A 67 -8.486 -20.777 -1.021 1.00 1.00 C ATOM 283 CD1 LEU A 67 -9.811 -21.089 -1.747 1.00 1.00 C ATOM 284 CD2 LEU A 67 -8.780 -19.904 0.215 1.00 1.00 C ATOM 0 H LEU A 67 -5.933 -20.782 -1.792 1.00 1.00 H new ATOM 0 HA LEU A 67 -6.553 -23.702 -1.358 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -8.509 -22.815 -0.298 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -7.148 -21.872 0.277 1.00 1.00 H new ATOM 0 HG LEU A 67 -7.828 -20.238 -1.702 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -10.299 -20.156 -2.031 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -9.606 -21.678 -2.641 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -10.466 -21.653 -1.083 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -9.289 -18.992 -0.097 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -9.416 -20.456 0.907 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -7.843 -19.646 0.709 1.00 1.00 H new