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 180:sc= 0 USER MOD Single : A 65 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 66 GLN : amide:sc= 0.565 K(o=0.57,f=-0.52) USER MOD ----------------------------------------------------------------- ATOM 35 N ASP A 52 3.574 -0.212 5.154 1.00 1.00 N ATOM 36 CA ASP A 52 3.771 -1.696 5.332 1.00 1.00 C ATOM 37 C ASP A 52 2.466 -2.432 5.697 1.00 1.00 C ATOM 38 O ASP A 52 2.486 -3.450 6.360 1.00 1.00 O ATOM 39 CB ASP A 52 4.833 -1.933 6.443 1.00 1.00 C ATOM 40 CG ASP A 52 6.170 -1.297 6.024 1.00 1.00 C ATOM 41 OD1 ASP A 52 6.276 -0.098 6.228 1.00 1.00 O ATOM 42 OD2 ASP A 52 7.007 -2.032 5.522 1.00 1.00 O ATOM 0 HA ASP A 52 4.108 -2.102 4.378 1.00 1.00 H new ATOM 0 HB2 ASP A 52 4.492 -1.501 7.384 1.00 1.00 H new ATOM 0 HB3 ASP A 52 4.964 -3.002 6.612 1.00 1.00 H new ATOM 47 N THR A 53 1.343 -1.923 5.254 1.00 1.00 N ATOM 48 CA THR A 53 0.041 -2.601 5.586 1.00 1.00 C ATOM 49 C THR A 53 -0.220 -3.759 4.664 1.00 1.00 C ATOM 50 O THR A 53 -1.024 -4.640 4.921 1.00 1.00 O ATOM 51 CB THR A 53 -1.114 -1.530 5.511 1.00 1.00 C ATOM 52 OG1 THR A 53 -2.290 -2.172 5.985 1.00 1.00 O ATOM 53 CG2 THR A 53 -1.511 -1.151 4.068 1.00 1.00 C ATOM 0 H THR A 53 1.266 -1.080 4.685 1.00 1.00 H new ATOM 0 HA THR A 53 0.088 -3.012 6.594 1.00 1.00 H new ATOM 0 HB THR A 53 -0.766 -0.654 6.059 1.00 1.00 H new ATOM 0 HG1 THR A 53 -3.040 -1.542 5.959 1.00 1.00 H new ATOM 0 HG21 THR A 53 -2.310 -0.410 4.093 1.00 1.00 H new ATOM 0 HG22 THR A 53 -0.647 -0.735 3.550 1.00 1.00 H new ATOM 0 HG23 THR A 53 -1.857 -2.040 3.540 1.00 1.00 H new ATOM 61 N TRP A 54 0.506 -3.704 3.599 1.00 1.00 N ATOM 62 CA TRP A 54 0.374 -4.763 2.578 1.00 1.00 C ATOM 63 C TRP A 54 0.690 -6.140 3.133 1.00 1.00 C ATOM 64 O TRP A 54 0.265 -7.139 2.586 1.00 1.00 O ATOM 65 CB TRP A 54 1.302 -4.402 1.417 1.00 1.00 C ATOM 66 CG TRP A 54 0.794 -3.057 0.898 1.00 1.00 C ATOM 67 CD1 TRP A 54 1.306 -1.805 1.128 1.00 1.00 C ATOM 68 CD2 TRP A 54 -0.305 -2.870 0.101 1.00 1.00 C ATOM 69 NE1 TRP A 54 0.593 -0.888 0.527 1.00 1.00 N ATOM 70 CE2 TRP A 54 -0.386 -1.494 -0.099 1.00 1.00 C ATOM 71 CE3 TRP A 54 -1.242 -3.728 -0.471 1.00 1.00 C ATOM 72 CZ2 TRP A 54 -1.415 -0.975 -0.878 1.00 1.00 C ATOM 73 CZ3 TRP A 54 -2.270 -3.207 -1.252 1.00 1.00 C ATOM 74 CH2 TRP A 54 -2.356 -1.827 -1.455 1.00 1.00 C ATOM 0 H TRP A 54 1.186 -2.973 3.389 1.00 1.00 H new ATOM 0 HA TRP A 54 -0.660 -4.815 2.237 1.00 1.00 H new ATOM 0 HB2 TRP A 54 2.338 -4.330 1.749 1.00 1.00 H new ATOM 0 HB3 TRP A 54 1.270 -5.162 0.637 1.00 1.00 H new ATOM 0 HD1 TRP A 54 2.182 -1.603 1.726 1.00 1.00 H new ATOM 0 HE1 TRP A 54 0.767 0.117 0.543 1.00 1.00 H new ATOM 0 HE3 TRP A 54 -1.171 -4.793 -0.309 1.00 1.00 H new ATOM 0 HZ2 TRP A 54 -1.485 0.091 -1.036 1.00 1.00 H new ATOM 0 HZ3 TRP A 54 -2.998 -3.867 -1.699 1.00 1.00 H new ATOM 0 HH2 TRP A 54 -3.153 -1.420 -2.060 1.00 1.00 H new ATOM 85 N ALA A 55 1.428 -6.159 4.209 1.00 1.00 N ATOM 86 CA ALA A 55 1.782 -7.470 4.827 1.00 1.00 C ATOM 87 C ALA A 55 0.472 -8.185 5.206 1.00 1.00 C ATOM 88 O ALA A 55 0.384 -9.398 5.215 1.00 1.00 O ATOM 89 CB ALA A 55 2.648 -7.191 6.069 1.00 1.00 C ATOM 0 H ALA A 55 1.798 -5.335 4.683 1.00 1.00 H new ATOM 0 HA ALA A 55 2.344 -8.107 4.144 1.00 1.00 H new ATOM 0 HB1 ALA A 55 2.922 -8.135 6.541 1.00 1.00 H new ATOM 0 HB2 ALA A 55 3.551 -6.659 5.771 1.00 1.00 H new ATOM 0 HB3 ALA A 55 2.085 -6.581 6.776 1.00 1.00 H new ATOM 95 N GLY A 56 -0.520 -7.382 5.497 1.00 1.00 N ATOM 96 CA GLY A 56 -1.847 -7.947 5.883 1.00 1.00 C ATOM 97 C GLY A 56 -2.406 -8.561 4.615 1.00 1.00 C ATOM 98 O GLY A 56 -2.755 -9.722 4.576 1.00 1.00 O ATOM 0 H GLY A 56 -0.468 -6.363 5.484 1.00 1.00 H new ATOM 0 HA2 GLY A 56 -1.742 -8.695 6.669 1.00 1.00 H new ATOM 0 HA3 GLY A 56 -2.508 -7.170 6.268 1.00 1.00 H new ATOM 102 N VAL A 57 -2.464 -7.753 3.595 1.00 1.00 N ATOM 103 CA VAL A 57 -2.986 -8.200 2.277 1.00 1.00 C ATOM 104 C VAL A 57 -2.331 -9.522 1.845 1.00 1.00 C ATOM 105 O VAL A 57 -2.998 -10.472 1.459 1.00 1.00 O ATOM 106 CB VAL A 57 -2.693 -7.040 1.294 1.00 1.00 C ATOM 107 CG1 VAL A 57 -2.949 -7.478 -0.155 1.00 1.00 C ATOM 108 CG2 VAL A 57 -3.595 -5.823 1.622 1.00 1.00 C ATOM 0 H VAL A 57 -2.164 -6.778 3.622 1.00 1.00 H new ATOM 0 HA VAL A 57 -4.055 -8.410 2.309 1.00 1.00 H new ATOM 0 HB VAL A 57 -1.645 -6.761 1.403 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -2.737 -6.648 -0.829 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -2.301 -8.319 -0.401 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -3.991 -7.778 -0.266 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -3.381 -5.013 0.925 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -4.642 -6.112 1.532 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -3.397 -5.487 2.640 1.00 1.00 H new ATOM 118 N GLU A 58 -1.027 -9.556 1.922 1.00 1.00 N ATOM 119 CA GLU A 58 -0.354 -10.820 1.509 1.00 1.00 C ATOM 120 C GLU A 58 -0.758 -12.011 2.362 1.00 1.00 C ATOM 121 O GLU A 58 -0.684 -13.132 1.905 1.00 1.00 O ATOM 122 CB GLU A 58 1.185 -10.667 1.591 1.00 1.00 C ATOM 123 CG GLU A 58 1.786 -10.739 0.169 1.00 1.00 C ATOM 124 CD GLU A 58 3.081 -11.587 0.209 1.00 1.00 C ATOM 125 OE1 GLU A 58 2.939 -12.800 0.127 1.00 1.00 O ATOM 126 OE2 GLU A 58 4.131 -10.976 0.321 1.00 1.00 O ATOM 0 H GLU A 58 -0.421 -8.799 2.238 1.00 1.00 H new ATOM 0 HA GLU A 58 -0.672 -11.008 0.483 1.00 1.00 H new ATOM 0 HB2 GLU A 58 1.442 -9.717 2.059 1.00 1.00 H new ATOM 0 HB3 GLU A 58 1.607 -11.454 2.216 1.00 1.00 H new ATOM 0 HG2 GLU A 58 1.068 -11.182 -0.521 1.00 1.00 H new ATOM 0 HG3 GLU A 58 2.004 -9.736 -0.198 1.00 1.00 H new ATOM 133 N ALA A 59 -1.196 -11.780 3.563 1.00 1.00 N ATOM 134 CA ALA A 59 -1.580 -12.963 4.397 1.00 1.00 C ATOM 135 C ALA A 59 -2.849 -13.577 3.812 1.00 1.00 C ATOM 136 O ALA A 59 -3.163 -14.730 4.024 1.00 1.00 O ATOM 137 CB ALA A 59 -1.819 -12.493 5.842 1.00 1.00 C ATOM 0 H ALA A 59 -1.305 -10.864 3.998 1.00 1.00 H new ATOM 0 HA ALA A 59 -0.789 -13.713 4.398 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -2.100 -13.346 6.460 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -0.906 -12.045 6.235 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -2.621 -11.755 5.857 1.00 1.00 H new ATOM 143 N ILE A 60 -3.536 -12.761 3.070 1.00 1.00 N ATOM 144 CA ILE A 60 -4.801 -13.198 2.426 1.00 1.00 C ATOM 145 C ILE A 60 -4.456 -13.944 1.151 1.00 1.00 C ATOM 146 O ILE A 60 -4.807 -15.092 0.975 1.00 1.00 O ATOM 147 CB ILE A 60 -5.649 -11.948 2.104 1.00 1.00 C ATOM 148 CG1 ILE A 60 -5.583 -10.970 3.313 1.00 1.00 C ATOM 149 CG2 ILE A 60 -7.105 -12.390 1.845 1.00 1.00 C ATOM 150 CD1 ILE A 60 -6.298 -9.672 2.996 1.00 1.00 C ATOM 0 H ILE A 60 -3.271 -11.795 2.879 1.00 1.00 H new ATOM 0 HA ILE A 60 -5.369 -13.854 3.086 1.00 1.00 H new ATOM 0 HB ILE A 60 -5.267 -11.441 1.218 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -6.036 -11.436 4.188 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -4.542 -10.765 3.564 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -7.715 -11.516 1.616 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -7.131 -13.081 1.003 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -7.498 -12.885 2.733 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -6.239 -9.005 3.856 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -5.827 -9.198 2.135 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -7.344 -9.879 2.769 1.00 1.00 H new ATOM 162 N ILE A 61 -3.758 -13.269 0.285 1.00 1.00 N ATOM 163 CA ILE A 61 -3.378 -13.911 -1.003 1.00 1.00 C ATOM 164 C ILE A 61 -2.592 -15.195 -0.712 1.00 1.00 C ATOM 165 O ILE A 61 -2.714 -16.160 -1.443 1.00 1.00 O ATOM 166 CB ILE A 61 -2.599 -12.820 -1.802 1.00 1.00 C ATOM 167 CG1 ILE A 61 -1.215 -12.609 -1.269 1.00 1.00 C ATOM 168 CG2 ILE A 61 -3.372 -11.462 -1.808 1.00 1.00 C ATOM 169 CD1 ILE A 61 -0.298 -13.632 -1.928 1.00 1.00 C ATOM 0 H ILE A 61 -3.436 -12.309 0.410 1.00 1.00 H new ATOM 0 HA ILE A 61 -4.223 -14.238 -1.609 1.00 1.00 H new ATOM 0 HB ILE A 61 -2.516 -13.188 -2.825 1.00 1.00 H new ATOM 0 HG12 ILE A 61 -0.874 -11.596 -1.484 1.00 1.00 H new ATOM 0 HG13 ILE A 61 -1.201 -12.727 -0.185 1.00 1.00 H new ATOM 0 HG21 ILE A 61 -2.804 -10.722 -2.372 1.00 1.00 H new ATOM 0 HG22 ILE A 61 -4.348 -11.601 -2.272 1.00 1.00 H new ATOM 0 HG23 ILE A 61 -3.504 -11.114 -0.784 1.00 1.00 H new ATOM 0 HD11 ILE A 61 0.719 -13.501 -1.558 1.00 1.00 H new ATOM 0 HD12 ILE A 61 -0.644 -14.638 -1.690 1.00 1.00 H new ATOM 0 HD13 ILE A 61 -0.311 -13.490 -3.009 1.00 1.00 H new ATOM 181 N ARG A 62 -1.816 -15.177 0.345 1.00 1.00 N ATOM 182 CA ARG A 62 -1.008 -16.379 0.727 1.00 1.00 C ATOM 183 C ARG A 62 -1.902 -17.615 0.862 1.00 1.00 C ATOM 184 O ARG A 62 -1.421 -18.721 0.707 1.00 1.00 O ATOM 185 CB ARG A 62 -0.294 -16.114 2.080 1.00 1.00 C ATOM 186 CG ARG A 62 1.041 -15.345 1.903 1.00 1.00 C ATOM 187 CD ARG A 62 2.123 -16.318 1.448 1.00 1.00 C ATOM 188 NE ARG A 62 3.420 -15.576 1.364 1.00 1.00 N ATOM 189 CZ ARG A 62 4.511 -16.120 1.835 1.00 1.00 C ATOM 190 NH1 ARG A 62 5.134 -17.021 1.130 1.00 1.00 N ATOM 191 NH2 ARG A 62 4.949 -15.747 3.002 1.00 1.00 N ATOM 0 H ARG A 62 -1.707 -14.374 0.965 1.00 1.00 H new ATOM 0 HA ARG A 62 -0.272 -16.563 -0.055 1.00 1.00 H new ATOM 0 HB2 ARG A 62 -0.956 -15.543 2.731 1.00 1.00 H new ATOM 0 HB3 ARG A 62 -0.100 -17.064 2.577 1.00 1.00 H new ATOM 0 HG2 ARG A 62 0.921 -14.547 1.170 1.00 1.00 H new ATOM 0 HG3 ARG A 62 1.330 -14.874 2.842 1.00 1.00 H new ATOM 0 HD2 ARG A 62 2.206 -17.148 2.149 1.00 1.00 H new ATOM 0 HD3 ARG A 62 1.866 -16.744 0.478 1.00 1.00 H new ATOM 0 HE ARG A 62 3.452 -14.649 0.940 1.00 1.00 H new ATOM 0 HH11 ARG A 62 4.770 -17.297 0.218 1.00 1.00 H new ATOM 0 HH12 ARG A 62 5.986 -17.451 1.490 1.00 1.00 H new ATOM 0 HH21 ARG A 62 4.442 -15.040 3.535 1.00 1.00 H new ATOM 0 HH22 ARG A 62 5.799 -16.162 3.384 1.00 1.00 H new ATOM 205 N ILE A 63 -3.166 -17.404 1.143 1.00 1.00 N ATOM 206 CA ILE A 63 -4.111 -18.556 1.296 1.00 1.00 C ATOM 207 C ILE A 63 -5.303 -18.563 0.309 1.00 1.00 C ATOM 208 O ILE A 63 -5.696 -19.593 -0.199 1.00 1.00 O ATOM 209 CB ILE A 63 -4.587 -18.524 2.767 1.00 1.00 C ATOM 210 CG1 ILE A 63 -5.578 -19.655 3.010 1.00 1.00 C ATOM 211 CG2 ILE A 63 -5.291 -17.207 3.092 1.00 1.00 C ATOM 212 CD1 ILE A 63 -5.518 -20.070 4.475 1.00 1.00 C ATOM 0 H ILE A 63 -3.584 -16.483 1.273 1.00 1.00 H new ATOM 0 HA ILE A 63 -3.586 -19.478 1.048 1.00 1.00 H new ATOM 0 HB ILE A 63 -3.707 -18.632 3.401 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -6.587 -19.332 2.753 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -5.342 -20.505 2.369 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -5.614 -17.214 4.133 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -4.603 -16.377 2.932 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -6.159 -17.089 2.443 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -6.226 -20.879 4.653 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -4.511 -20.409 4.716 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -5.774 -19.218 5.105 1.00 1.00 H new ATOM 224 N LEU A 64 -5.823 -17.402 0.046 1.00 1.00 N ATOM 225 CA LEU A 64 -6.985 -17.183 -0.864 1.00 1.00 C ATOM 226 C LEU A 64 -6.834 -18.018 -2.118 1.00 1.00 C ATOM 227 O LEU A 64 -7.471 -19.041 -2.300 1.00 1.00 O ATOM 228 CB LEU A 64 -7.024 -15.658 -1.149 1.00 1.00 C ATOM 229 CG LEU A 64 -8.077 -15.308 -2.212 1.00 1.00 C ATOM 230 CD1 LEU A 64 -9.504 -15.631 -1.718 1.00 1.00 C ATOM 231 CD2 LEU A 64 -7.985 -13.815 -2.569 1.00 1.00 C ATOM 0 H LEU A 64 -5.466 -16.537 0.452 1.00 1.00 H new ATOM 0 HA LEU A 64 -7.929 -17.498 -0.419 1.00 1.00 H new ATOM 0 HB2 LEU A 64 -7.245 -15.120 -0.227 1.00 1.00 H new ATOM 0 HB3 LEU A 64 -6.042 -15.325 -1.485 1.00 1.00 H new ATOM 0 HG LEU A 64 -7.874 -15.913 -3.096 1.00 1.00 H new ATOM 0 HD11 LEU A 64 -10.225 -15.372 -2.493 1.00 1.00 H new ATOM 0 HD12 LEU A 64 -9.579 -16.695 -1.494 1.00 1.00 H new ATOM 0 HD13 LEU A 64 -9.717 -15.055 -0.818 1.00 1.00 H new ATOM 0 HD21 LEU A 64 -8.734 -13.574 -3.323 1.00 1.00 H new ATOM 0 HD22 LEU A 64 -8.163 -13.216 -1.676 1.00 1.00 H new ATOM 0 HD23 LEU A 64 -6.992 -13.595 -2.961 1.00 1.00 H new ATOM 243 N GLN A 65 -5.963 -17.556 -2.964 1.00 1.00 N ATOM 244 CA GLN A 65 -5.768 -18.325 -4.203 1.00 1.00 C ATOM 245 C GLN A 65 -4.966 -19.582 -3.904 1.00 1.00 C ATOM 246 O GLN A 65 -4.747 -20.387 -4.788 1.00 1.00 O ATOM 247 CB GLN A 65 -5.049 -17.443 -5.225 1.00 1.00 C ATOM 248 CG GLN A 65 -3.706 -16.890 -4.695 1.00 1.00 C ATOM 249 CD GLN A 65 -3.015 -16.195 -5.867 1.00 1.00 C ATOM 250 OE1 GLN A 65 -3.637 -15.758 -6.812 1.00 1.00 O ATOM 251 NE2 GLN A 65 -1.726 -16.059 -5.873 1.00 1.00 N ATOM 0 H GLN A 65 -5.400 -16.712 -2.855 1.00 1.00 H new ATOM 0 HA GLN A 65 -6.730 -18.628 -4.615 1.00 1.00 H new ATOM 0 HB2 GLN A 65 -4.867 -18.019 -6.132 1.00 1.00 H new ATOM 0 HB3 GLN A 65 -5.697 -16.611 -5.500 1.00 1.00 H new ATOM 0 HG2 GLN A 65 -3.873 -16.190 -3.876 1.00 1.00 H new ATOM 0 HG3 GLN A 65 -3.085 -17.696 -4.304 1.00 1.00 H new ATOM 0 HE21 GLN A 65 -1.172 -16.415 -5.094 1.00 1.00 H new ATOM 0 HE22 GLN A 65 -1.266 -15.596 -6.657 1.00 1.00 H new ATOM 260 N GLN A 66 -4.559 -19.744 -2.671 1.00 1.00 N ATOM 261 CA GLN A 66 -3.768 -20.974 -2.363 1.00 1.00 C ATOM 262 C GLN A 66 -4.781 -22.127 -2.367 1.00 1.00 C ATOM 263 O GLN A 66 -4.503 -23.238 -2.778 1.00 1.00 O ATOM 264 CB GLN A 66 -3.117 -20.810 -0.975 1.00 1.00 C ATOM 265 CG GLN A 66 -1.871 -21.703 -0.827 1.00 1.00 C ATOM 266 CD GLN A 66 -0.774 -21.159 -1.741 1.00 1.00 C ATOM 267 OE1 GLN A 66 -0.522 -21.685 -2.803 1.00 1.00 O ATOM 268 NE2 GLN A 66 -0.107 -20.106 -1.371 1.00 1.00 N ATOM 0 H GLN A 66 -4.730 -19.108 -1.893 1.00 1.00 H new ATOM 0 HA GLN A 66 -2.970 -21.159 -3.082 1.00 1.00 H new ATOM 0 HB2 GLN A 66 -2.839 -19.767 -0.823 1.00 1.00 H new ATOM 0 HB3 GLN A 66 -3.841 -21.062 -0.200 1.00 1.00 H new ATOM 0 HG2 GLN A 66 -1.532 -21.711 0.209 1.00 1.00 H new ATOM 0 HG3 GLN A 66 -2.109 -22.733 -1.093 1.00 1.00 H new ATOM 0 HE21 GLN A 66 -0.314 -19.659 -0.478 1.00 1.00 H new ATOM 0 HE22 GLN A 66 0.624 -19.727 -1.974 1.00 1.00 H new ATOM 277 N LEU A 67 -5.960 -21.793 -1.908 1.00 1.00 N ATOM 278 CA LEU A 67 -7.064 -22.790 -1.833 1.00 1.00 C ATOM 279 C LEU A 67 -7.639 -22.961 -3.215 1.00 1.00 C ATOM 280 O LEU A 67 -8.085 -24.018 -3.610 1.00 1.00 O ATOM 281 CB LEU A 67 -8.143 -22.280 -0.878 1.00 1.00 C ATOM 282 CG LEU A 67 -7.561 -22.060 0.535 1.00 1.00 C ATOM 283 CD1 LEU A 67 -8.678 -21.512 1.448 1.00 1.00 C ATOM 284 CD2 LEU A 67 -7.042 -23.385 1.138 1.00 1.00 C ATOM 0 H LEU A 67 -6.205 -20.859 -1.578 1.00 1.00 H new ATOM 0 HA LEU A 67 -6.692 -23.746 -1.465 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -8.558 -21.345 -1.256 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -8.963 -22.997 -0.832 1.00 1.00 H new ATOM 0 HG LEU A 67 -6.729 -21.359 0.463 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -8.282 -21.351 2.451 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -9.045 -20.567 1.047 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -9.497 -22.230 1.492 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -6.638 -23.198 2.133 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -7.863 -24.099 1.207 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -6.259 -23.793 0.499 1.00 1.00 H new