USER MOD reduce.3.24.130724 H: found=0, std=0, add=132, rem=0, adj=2 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= 0.116 USER MOD Single : A 65 GLN : amide:sc= -1.37! C(o=-1.4!,f=-14!) USER MOD Single : A 66 GLN :FLIP amide:sc= -4.03 F(o=-5!,f=-4) USER MOD ----------------------------------------------------------------- ATOM 35 N ASP A 52 3.461 -0.460 4.183 1.00 1.00 N ATOM 36 CA ASP A 52 3.706 -1.945 4.197 1.00 1.00 C ATOM 37 C ASP A 52 2.396 -2.655 4.569 1.00 1.00 C ATOM 38 O ASP A 52 2.394 -3.749 5.096 1.00 1.00 O ATOM 39 CB ASP A 52 4.807 -2.266 5.242 1.00 1.00 C ATOM 40 CG ASP A 52 4.307 -1.948 6.667 1.00 1.00 C ATOM 41 OD1 ASP A 52 4.054 -0.770 6.886 1.00 1.00 O ATOM 42 OD2 ASP A 52 4.205 -2.886 7.441 1.00 1.00 O ATOM 0 HA ASP A 52 4.037 -2.288 3.217 1.00 1.00 H new ATOM 0 HB2 ASP A 52 5.086 -3.318 5.174 1.00 1.00 H new ATOM 0 HB3 ASP A 52 5.703 -1.684 5.026 1.00 1.00 H new ATOM 47 N THR A 53 1.298 -2.020 4.262 1.00 1.00 N ATOM 48 CA THR A 53 -0.052 -2.560 4.567 1.00 1.00 C ATOM 49 C THR A 53 -0.300 -3.822 3.800 1.00 1.00 C ATOM 50 O THR A 53 -1.065 -4.705 4.151 1.00 1.00 O ATOM 51 CB THR A 53 -1.079 -1.453 4.208 1.00 1.00 C ATOM 52 OG1 THR A 53 -0.365 -0.236 4.432 1.00 1.00 O ATOM 53 CG2 THR A 53 -2.230 -1.418 5.231 1.00 1.00 C ATOM 0 H THR A 53 1.285 -1.114 3.794 1.00 1.00 H new ATOM 0 HA THR A 53 -0.142 -2.820 5.622 1.00 1.00 H new ATOM 0 HB THR A 53 -1.474 -1.607 3.204 1.00 1.00 H new ATOM 0 HG1 THR A 53 -0.945 0.526 4.226 1.00 1.00 H new ATOM 0 HG21 THR A 53 -2.936 -0.634 4.957 1.00 1.00 H new ATOM 0 HG22 THR A 53 -2.741 -2.381 5.237 1.00 1.00 H new ATOM 0 HG23 THR A 53 -1.828 -1.214 6.224 1.00 1.00 H new ATOM 61 N TRP A 54 0.421 -3.842 2.732 1.00 1.00 N ATOM 62 CA TRP A 54 0.318 -5.002 1.837 1.00 1.00 C ATOM 63 C TRP A 54 0.705 -6.310 2.515 1.00 1.00 C ATOM 64 O TRP A 54 0.328 -7.372 2.055 1.00 1.00 O ATOM 65 CB TRP A 54 1.195 -4.745 0.612 1.00 1.00 C ATOM 66 CG TRP A 54 0.536 -3.597 -0.152 1.00 1.00 C ATOM 67 CD1 TRP A 54 0.840 -2.262 -0.103 1.00 1.00 C ATOM 68 CD2 TRP A 54 -0.510 -3.704 -1.039 1.00 1.00 C ATOM 69 NE1 TRP A 54 0.059 -1.568 -0.891 1.00 1.00 N ATOM 70 CE2 TRP A 54 -0.767 -2.406 -1.469 1.00 1.00 C ATOM 71 CE3 TRP A 54 -1.269 -4.768 -1.519 1.00 1.00 C ATOM 72 CZ2 TRP A 54 -1.787 -2.173 -2.385 1.00 1.00 C ATOM 73 CZ3 TRP A 54 -2.289 -4.537 -2.434 1.00 1.00 C ATOM 74 CH2 TRP A 54 -2.551 -3.238 -2.871 1.00 1.00 C ATOM 0 H TRP A 54 1.072 -3.112 2.442 1.00 1.00 H new ATOM 0 HA TRP A 54 -0.725 -5.117 1.543 1.00 1.00 H new ATOM 0 HB2 TRP A 54 2.211 -4.483 0.909 1.00 1.00 H new ATOM 0 HB3 TRP A 54 1.265 -5.637 -0.010 1.00 1.00 H new ATOM 0 HD1 TRP A 54 1.623 -1.837 0.507 1.00 1.00 H new ATOM 0 HE1 TRP A 54 0.088 -0.558 -1.030 1.00 1.00 H new ATOM 0 HE3 TRP A 54 -1.065 -5.773 -1.180 1.00 1.00 H new ATOM 0 HZ2 TRP A 54 -1.989 -1.167 -2.722 1.00 1.00 H new ATOM 0 HZ3 TRP A 54 -2.878 -5.362 -2.806 1.00 1.00 H new ATOM 0 HH2 TRP A 54 -3.342 -3.056 -3.583 1.00 1.00 H new ATOM 85 N ALA A 55 1.443 -6.221 3.591 1.00 1.00 N ATOM 86 CA ALA A 55 1.838 -7.483 4.286 1.00 1.00 C ATOM 87 C ALA A 55 0.562 -8.170 4.811 1.00 1.00 C ATOM 88 O ALA A 55 0.494 -9.378 4.958 1.00 1.00 O ATOM 89 CB ALA A 55 2.768 -7.136 5.444 1.00 1.00 C ATOM 0 H ALA A 55 1.782 -5.355 4.010 1.00 1.00 H new ATOM 0 HA ALA A 55 2.357 -8.157 3.604 1.00 1.00 H new ATOM 0 HB1 ALA A 55 3.064 -8.050 5.960 1.00 1.00 H new ATOM 0 HB2 ALA A 55 3.655 -6.633 5.060 1.00 1.00 H new ATOM 0 HB3 ALA A 55 2.251 -6.477 6.141 1.00 1.00 H new ATOM 95 N GLY A 56 -0.426 -7.345 5.062 1.00 1.00 N ATOM 96 CA GLY A 56 -1.725 -7.871 5.578 1.00 1.00 C ATOM 97 C GLY A 56 -2.360 -8.594 4.410 1.00 1.00 C ATOM 98 O GLY A 56 -2.772 -9.730 4.518 1.00 1.00 O ATOM 0 H GLY A 56 -0.388 -6.334 4.932 1.00 1.00 H new ATOM 0 HA2 GLY A 56 -1.569 -8.546 6.420 1.00 1.00 H new ATOM 0 HA3 GLY A 56 -2.363 -7.062 5.933 1.00 1.00 H new ATOM 102 N VAL A 57 -2.401 -7.898 3.308 1.00 1.00 N ATOM 103 CA VAL A 57 -2.988 -8.458 2.067 1.00 1.00 C ATOM 104 C VAL A 57 -2.362 -9.831 1.779 1.00 1.00 C ATOM 105 O VAL A 57 -3.049 -10.817 1.574 1.00 1.00 O ATOM 106 CB VAL A 57 -2.699 -7.441 0.949 1.00 1.00 C ATOM 107 CG1 VAL A 57 -3.146 -8.006 -0.400 1.00 1.00 C ATOM 108 CG2 VAL A 57 -3.472 -6.131 1.219 1.00 1.00 C ATOM 0 H VAL A 57 -2.044 -6.947 3.218 1.00 1.00 H new ATOM 0 HA VAL A 57 -4.063 -8.615 2.151 1.00 1.00 H new ATOM 0 HB VAL A 57 -1.628 -7.242 0.928 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -2.938 -7.280 -1.186 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -2.603 -8.929 -0.606 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -4.216 -8.213 -0.371 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -3.263 -5.415 0.424 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -4.542 -6.339 1.248 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -3.157 -5.713 2.175 1.00 1.00 H new ATOM 118 N GLU A 58 -1.058 -9.853 1.780 1.00 1.00 N ATOM 119 CA GLU A 58 -0.352 -11.140 1.509 1.00 1.00 C ATOM 120 C GLU A 58 -0.764 -12.243 2.478 1.00 1.00 C ATOM 121 O GLU A 58 -0.652 -13.406 2.143 1.00 1.00 O ATOM 122 CB GLU A 58 1.180 -10.890 1.595 1.00 1.00 C ATOM 123 CG GLU A 58 1.812 -10.711 0.183 1.00 1.00 C ATOM 124 CD GLU A 58 1.903 -12.058 -0.589 1.00 1.00 C ATOM 125 OE1 GLU A 58 2.283 -13.036 0.031 1.00 1.00 O ATOM 126 OE2 GLU A 58 1.587 -12.031 -1.768 1.00 1.00 O ATOM 0 H GLU A 58 -0.456 -9.048 1.954 1.00 1.00 H new ATOM 0 HA GLU A 58 -0.629 -11.483 0.512 1.00 1.00 H new ATOM 0 HB2 GLU A 58 1.371 -10.000 2.195 1.00 1.00 H new ATOM 0 HB3 GLU A 58 1.658 -11.727 2.105 1.00 1.00 H new ATOM 0 HG2 GLU A 58 1.217 -10.002 -0.393 1.00 1.00 H new ATOM 0 HG3 GLU A 58 2.809 -10.283 0.284 1.00 1.00 H new ATOM 133 N ALA A 59 -1.243 -11.878 3.636 1.00 1.00 N ATOM 134 CA ALA A 59 -1.645 -12.950 4.603 1.00 1.00 C ATOM 135 C ALA A 59 -2.955 -13.583 4.129 1.00 1.00 C ATOM 136 O ALA A 59 -3.267 -14.714 4.439 1.00 1.00 O ATOM 137 CB ALA A 59 -1.841 -12.341 6.005 1.00 1.00 C ATOM 0 H ALA A 59 -1.372 -10.917 3.952 1.00 1.00 H new ATOM 0 HA ALA A 59 -0.865 -13.710 4.652 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -2.133 -13.124 6.704 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -0.908 -11.887 6.338 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -2.621 -11.580 5.966 1.00 1.00 H new ATOM 143 N ILE A 60 -3.679 -12.805 3.374 1.00 1.00 N ATOM 144 CA ILE A 60 -4.989 -13.264 2.831 1.00 1.00 C ATOM 145 C ILE A 60 -4.717 -14.114 1.596 1.00 1.00 C ATOM 146 O ILE A 60 -5.181 -15.237 1.483 1.00 1.00 O ATOM 147 CB ILE A 60 -5.845 -12.013 2.460 1.00 1.00 C ATOM 148 CG1 ILE A 60 -5.660 -10.922 3.551 1.00 1.00 C ATOM 149 CG2 ILE A 60 -7.333 -12.432 2.402 1.00 1.00 C ATOM 150 CD1 ILE A 60 -6.344 -9.621 3.154 1.00 1.00 C ATOM 0 H ILE A 60 -3.415 -11.857 3.106 1.00 1.00 H new ATOM 0 HA ILE A 60 -5.535 -13.856 3.565 1.00 1.00 H new ATOM 0 HB ILE A 60 -5.530 -11.617 1.495 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -6.070 -11.277 4.497 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -4.597 -10.742 3.712 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -7.945 -11.568 2.144 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -7.463 -13.207 1.647 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -7.641 -12.817 3.374 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -6.196 -8.878 3.938 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -5.915 -9.254 2.221 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -7.411 -9.798 3.018 1.00 1.00 H new ATOM 162 N ILE A 61 -3.950 -13.550 0.698 1.00 1.00 N ATOM 163 CA ILE A 61 -3.633 -14.298 -0.539 1.00 1.00 C ATOM 164 C ILE A 61 -2.917 -15.569 -0.095 1.00 1.00 C ATOM 165 O ILE A 61 -3.064 -16.594 -0.727 1.00 1.00 O ATOM 166 CB ILE A 61 -2.792 -13.356 -1.459 1.00 1.00 C ATOM 167 CG1 ILE A 61 -1.373 -13.211 -1.005 1.00 1.00 C ATOM 168 CG2 ILE A 61 -3.482 -11.968 -1.585 1.00 1.00 C ATOM 169 CD1 ILE A 61 -0.571 -14.380 -1.556 1.00 1.00 C ATOM 0 H ILE A 61 -3.539 -12.619 0.771 1.00 1.00 H new ATOM 0 HA ILE A 61 -4.500 -14.598 -1.127 1.00 1.00 H new ATOM 0 HB ILE A 61 -2.751 -13.824 -2.442 1.00 1.00 H new ATOM 0 HG12 ILE A 61 -0.957 -12.267 -1.356 1.00 1.00 H new ATOM 0 HG13 ILE A 61 -1.323 -13.196 0.084 1.00 1.00 H new ATOM 0 HG21 ILE A 61 -2.885 -11.322 -2.229 1.00 1.00 H new ATOM 0 HG22 ILE A 61 -4.475 -12.093 -2.017 1.00 1.00 H new ATOM 0 HG23 ILE A 61 -3.570 -11.515 -0.598 1.00 1.00 H new ATOM 0 HD11 ILE A 61 0.467 -14.292 -1.236 1.00 1.00 H new ATOM 0 HD12 ILE A 61 -0.988 -15.315 -1.183 1.00 1.00 H new ATOM 0 HD13 ILE A 61 -0.617 -14.371 -2.645 1.00 1.00 H new ATOM 181 N ARG A 62 -2.165 -15.468 0.978 1.00 1.00 N ATOM 182 CA ARG A 62 -1.424 -16.652 1.509 1.00 1.00 C ATOM 183 C ARG A 62 -2.326 -17.887 1.600 1.00 1.00 C ATOM 184 O ARG A 62 -1.843 -18.997 1.483 1.00 1.00 O ATOM 185 CB ARG A 62 -0.880 -16.365 2.929 1.00 1.00 C ATOM 186 CG ARG A 62 0.621 -16.682 2.990 1.00 1.00 C ATOM 187 CD ARG A 62 1.422 -15.707 2.108 1.00 1.00 C ATOM 188 NE ARG A 62 2.766 -16.307 1.876 1.00 1.00 N ATOM 189 CZ ARG A 62 3.580 -15.726 1.043 1.00 1.00 C ATOM 190 NH1 ARG A 62 3.322 -15.798 -0.230 1.00 1.00 N ATOM 191 NH2 ARG A 62 4.615 -15.096 1.516 1.00 1.00 N ATOM 0 H ARG A 62 -2.034 -14.608 1.510 1.00 1.00 H new ATOM 0 HA ARG A 62 -0.606 -16.844 0.815 1.00 1.00 H new ATOM 0 HB2 ARG A 62 -1.050 -15.320 3.188 1.00 1.00 H new ATOM 0 HB3 ARG A 62 -1.417 -16.967 3.662 1.00 1.00 H new ATOM 0 HG2 ARG A 62 0.969 -16.617 4.021 1.00 1.00 H new ATOM 0 HG3 ARG A 62 0.795 -17.706 2.659 1.00 1.00 H new ATOM 0 HD2 ARG A 62 0.909 -15.539 1.161 1.00 1.00 H new ATOM 0 HD3 ARG A 62 1.515 -14.737 2.597 1.00 1.00 H new ATOM 0 HE ARG A 62 3.044 -17.160 2.362 1.00 1.00 H new ATOM 0 HH11 ARG A 62 2.497 -16.302 -0.555 1.00 1.00 H new ATOM 0 HH12 ARG A 62 3.945 -15.351 -0.903 1.00 1.00 H new ATOM 0 HH21 ARG A 62 4.776 -15.064 2.523 1.00 1.00 H new ATOM 0 HH22 ARG A 62 5.265 -14.634 0.880 1.00 1.00 H new ATOM 205 N ILE A 63 -3.596 -17.664 1.806 1.00 1.00 N ATOM 206 CA ILE A 63 -4.543 -18.810 1.916 1.00 1.00 C ATOM 207 C ILE A 63 -5.636 -18.785 0.834 1.00 1.00 C ATOM 208 O ILE A 63 -6.150 -19.814 0.449 1.00 1.00 O ATOM 209 CB ILE A 63 -5.105 -18.746 3.373 1.00 1.00 C ATOM 210 CG1 ILE A 63 -6.111 -19.870 3.586 1.00 1.00 C ATOM 211 CG2 ILE A 63 -5.802 -17.412 3.664 1.00 1.00 C ATOM 212 CD1 ILE A 63 -6.102 -20.293 5.052 1.00 1.00 C ATOM 0 H ILE A 63 -4.018 -16.740 1.903 1.00 1.00 H new ATOM 0 HA ILE A 63 -4.042 -19.761 1.737 1.00 1.00 H new ATOM 0 HB ILE A 63 -4.257 -18.849 4.050 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -7.109 -19.538 3.299 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -5.862 -20.720 2.950 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -6.177 -17.413 4.688 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -5.091 -16.595 3.538 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -6.634 -17.278 2.973 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -6.822 -21.097 5.203 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -5.106 -20.642 5.324 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -6.372 -19.442 5.678 1.00 1.00 H new ATOM 224 N LEU A 64 -5.955 -17.624 0.339 1.00 1.00 N ATOM 225 CA LEU A 64 -7.015 -17.506 -0.700 1.00 1.00 C ATOM 226 C LEU A 64 -6.585 -18.245 -1.947 1.00 1.00 C ATOM 227 O LEU A 64 -7.083 -19.316 -2.254 1.00 1.00 O ATOM 228 CB LEU A 64 -7.260 -16.001 -0.971 1.00 1.00 C ATOM 229 CG LEU A 64 -8.279 -15.815 -2.124 1.00 1.00 C ATOM 230 CD1 LEU A 64 -9.631 -16.514 -1.826 1.00 1.00 C ATOM 231 CD2 LEU A 64 -8.521 -14.304 -2.368 1.00 1.00 C ATOM 0 H LEU A 64 -5.522 -16.742 0.612 1.00 1.00 H new ATOM 0 HA LEU A 64 -7.949 -17.956 -0.363 1.00 1.00 H new ATOM 0 HB2 LEU A 64 -7.633 -15.519 -0.067 1.00 1.00 H new ATOM 0 HB3 LEU A 64 -6.319 -15.514 -1.227 1.00 1.00 H new ATOM 0 HG LEU A 64 -7.855 -16.278 -3.015 1.00 1.00 H new ATOM 0 HD11 LEU A 64 -10.314 -16.357 -2.661 1.00 1.00 H new ATOM 0 HD12 LEU A 64 -9.466 -17.583 -1.689 1.00 1.00 H new ATOM 0 HD13 LEU A 64 -10.065 -16.094 -0.919 1.00 1.00 H new ATOM 0 HD21 LEU A 64 -9.238 -14.177 -3.179 1.00 1.00 H new ATOM 0 HD22 LEU A 64 -8.915 -13.847 -1.460 1.00 1.00 H new ATOM 0 HD23 LEU A 64 -7.580 -13.824 -2.636 1.00 1.00 H new ATOM 243 N GLN A 65 -5.650 -17.669 -2.649 1.00 1.00 N ATOM 244 CA GLN A 65 -5.212 -18.365 -3.867 1.00 1.00 C ATOM 245 C GLN A 65 -4.546 -19.675 -3.561 1.00 1.00 C ATOM 246 O GLN A 65 -4.310 -20.410 -4.497 1.00 1.00 O ATOM 247 CB GLN A 65 -4.227 -17.502 -4.676 1.00 1.00 C ATOM 248 CG GLN A 65 -4.909 -16.228 -5.244 1.00 1.00 C ATOM 249 CD GLN A 65 -4.693 -15.055 -4.295 1.00 1.00 C ATOM 250 OE1 GLN A 65 -5.023 -15.101 -3.132 1.00 1.00 O ATOM 251 NE2 GLN A 65 -4.137 -13.974 -4.743 1.00 1.00 N ATOM 0 H GLN A 65 -5.192 -16.783 -2.437 1.00 1.00 H new ATOM 0 HA GLN A 65 -6.114 -18.551 -4.450 1.00 1.00 H new ATOM 0 HB2 GLN A 65 -3.390 -17.213 -4.040 1.00 1.00 H new ATOM 0 HB3 GLN A 65 -3.816 -18.091 -5.496 1.00 1.00 H new ATOM 0 HG2 GLN A 65 -4.498 -15.993 -6.226 1.00 1.00 H new ATOM 0 HG3 GLN A 65 -5.976 -16.406 -5.379 1.00 1.00 H new ATOM 0 HE21 GLN A 65 -3.851 -13.915 -5.720 1.00 1.00 H new ATOM 0 HE22 GLN A 65 -3.985 -13.182 -4.118 1.00 1.00 H new ATOM 260 N GLN A 66 -4.268 -19.986 -2.323 1.00 1.00 N ATOM 261 CA GLN A 66 -3.599 -21.315 -2.133 1.00 1.00 C ATOM 262 C GLN A 66 -4.684 -22.384 -2.125 1.00 1.00 C ATOM 263 O GLN A 66 -4.461 -23.518 -2.501 1.00 1.00 O ATOM 264 CB GLN A 66 -2.796 -21.303 -0.799 1.00 1.00 C ATOM 265 CG GLN A 66 -1.356 -20.740 -1.062 1.00 1.00 C ATOM 266 CD GLN A 66 -1.405 -19.364 -1.740 1.00 1.00 C ATOM 267 OE1 GLN A 66 -1.170 -18.312 -1.030 1.00 1.00 O flip ATOM 268 NE2 GLN A 66 -1.657 -19.227 -2.918 1.00 1.00 N flip ATOM 0 H GLN A 66 -4.455 -19.429 -1.489 1.00 1.00 H new ATOM 0 HA GLN A 66 -2.895 -21.525 -2.938 1.00 1.00 H new ATOM 0 HB2 GLN A 66 -3.309 -20.689 -0.059 1.00 1.00 H new ATOM 0 HB3 GLN A 66 -2.735 -22.311 -0.390 1.00 1.00 H new ATOM 0 HG2 GLN A 66 -0.817 -20.663 -0.118 1.00 1.00 H new ATOM 0 HG3 GLN A 66 -0.801 -21.437 -1.690 1.00 1.00 H new ATOM 0 HE21 GLN A 66 -1.846 -20.045 -3.498 1.00 1.00 H new ATOM 0 HE22 GLN A 66 -1.680 -18.294 -3.329 1.00 1.00 H new ATOM 277 N LEU A 67 -5.853 -21.974 -1.715 1.00 1.00 N ATOM 278 CA LEU A 67 -6.989 -22.941 -1.660 1.00 1.00 C ATOM 279 C LEU A 67 -7.614 -22.991 -3.031 1.00 1.00 C ATOM 280 O LEU A 67 -8.085 -24.008 -3.506 1.00 1.00 O ATOM 281 CB LEU A 67 -7.984 -22.457 -0.616 1.00 1.00 C ATOM 282 CG LEU A 67 -7.293 -22.495 0.764 1.00 1.00 C ATOM 283 CD1 LEU A 67 -8.244 -21.870 1.806 1.00 1.00 C ATOM 284 CD2 LEU A 67 -6.980 -23.952 1.200 1.00 1.00 C ATOM 0 H LEU A 67 -6.071 -21.023 -1.419 1.00 1.00 H new ATOM 0 HA LEU A 67 -6.659 -23.942 -1.381 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -8.315 -21.445 -0.847 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -8.871 -23.090 -0.614 1.00 1.00 H new ATOM 0 HG LEU A 67 -6.356 -21.942 0.696 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -7.771 -21.889 2.788 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -8.462 -20.839 1.528 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -9.172 -22.440 1.840 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -6.494 -23.943 2.176 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -7.908 -24.521 1.262 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -6.318 -24.416 0.469 1.00 1.00 H new