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= 0.0768 USER MOD Single : A 65 GLN : amide:sc= -0.0117 X(o=-0.012,f=0) USER MOD Single : A 66 GLN : amide:sc= -0.454 X(o=-0.45,f=-0.36) USER MOD ----------------------------------------------------------------- ATOM 35 N ASP A 52 3.551 -1.160 3.702 1.00 1.00 N ATOM 36 CA ASP A 52 3.585 -2.418 4.536 1.00 1.00 C ATOM 37 C ASP A 52 2.225 -3.083 4.735 1.00 1.00 C ATOM 38 O ASP A 52 2.146 -4.201 5.206 1.00 1.00 O ATOM 39 CB ASP A 52 4.173 -2.118 5.956 1.00 1.00 C ATOM 40 CG ASP A 52 5.717 -2.169 5.962 1.00 1.00 C ATOM 41 OD1 ASP A 52 6.214 -3.214 5.568 1.00 1.00 O ATOM 42 OD2 ASP A 52 6.297 -1.171 6.360 1.00 1.00 O ATOM 0 HA ASP A 52 4.213 -3.106 3.970 1.00 1.00 H new ATOM 0 HB2 ASP A 52 3.841 -1.134 6.286 1.00 1.00 H new ATOM 0 HB3 ASP A 52 3.783 -2.842 6.671 1.00 1.00 H new ATOM 47 N THR A 53 1.170 -2.410 4.364 1.00 1.00 N ATOM 48 CA THR A 53 -0.204 -2.969 4.519 1.00 1.00 C ATOM 49 C THR A 53 -0.300 -4.256 3.765 1.00 1.00 C ATOM 50 O THR A 53 -1.022 -5.188 4.070 1.00 1.00 O ATOM 51 CB THR A 53 -1.160 -1.887 3.993 1.00 1.00 C ATOM 52 OG1 THR A 53 -0.479 -1.418 2.829 1.00 1.00 O ATOM 53 CG2 THR A 53 -1.159 -0.646 4.904 1.00 1.00 C ATOM 0 H THR A 53 1.203 -1.478 3.952 1.00 1.00 H new ATOM 0 HA THR A 53 -0.459 -3.206 5.552 1.00 1.00 H new ATOM 0 HB THR A 53 -2.170 -2.282 3.884 1.00 1.00 H new ATOM 0 HG1 THR A 53 -1.008 -0.712 2.402 1.00 1.00 H new ATOM 0 HG21 THR A 53 -1.845 0.100 4.503 1.00 1.00 H new ATOM 0 HG22 THR A 53 -1.477 -0.931 5.907 1.00 1.00 H new ATOM 0 HG23 THR A 53 -0.154 -0.227 4.948 1.00 1.00 H new ATOM 61 N TRP A 54 0.510 -4.218 2.765 1.00 1.00 N ATOM 62 CA TRP A 54 0.615 -5.358 1.856 1.00 1.00 C ATOM 63 C TRP A 54 0.995 -6.649 2.581 1.00 1.00 C ATOM 64 O TRP A 54 0.723 -7.733 2.102 1.00 1.00 O ATOM 65 CB TRP A 54 1.643 -5.006 0.778 1.00 1.00 C ATOM 66 CG TRP A 54 1.104 -3.745 0.111 1.00 1.00 C ATOM 67 CD1 TRP A 54 1.517 -2.452 0.291 1.00 1.00 C ATOM 68 CD2 TRP A 54 0.077 -3.681 -0.789 1.00 1.00 C ATOM 69 NE1 TRP A 54 0.812 -1.623 -0.434 1.00 1.00 N ATOM 70 CE2 TRP A 54 -0.065 -2.332 -1.098 1.00 1.00 C ATOM 71 CE3 TRP A 54 -0.752 -4.632 -1.370 1.00 1.00 C ATOM 72 CZ2 TRP A 54 -1.048 -1.936 -2.000 1.00 1.00 C ATOM 73 CZ3 TRP A 54 -1.732 -4.237 -2.271 1.00 1.00 C ATOM 74 CH2 TRP A 54 -1.881 -2.889 -2.587 1.00 1.00 C ATOM 0 H TRP A 54 1.114 -3.428 2.538 1.00 1.00 H new ATOM 0 HA TRP A 54 -0.359 -5.548 1.406 1.00 1.00 H new ATOM 0 HB2 TRP A 54 2.627 -4.832 1.214 1.00 1.00 H new ATOM 0 HB3 TRP A 54 1.752 -5.817 0.058 1.00 1.00 H new ATOM 0 HD1 TRP A 54 2.322 -2.155 0.947 1.00 1.00 H new ATOM 0 HE1 TRP A 54 0.925 -0.610 -0.475 1.00 1.00 H new ATOM 0 HE3 TRP A 54 -0.635 -5.676 -1.122 1.00 1.00 H new ATOM 0 HZ2 TRP A 54 -1.166 -0.891 -2.246 1.00 1.00 H new ATOM 0 HZ3 TRP A 54 -2.377 -4.974 -2.726 1.00 1.00 H new ATOM 0 HH2 TRP A 54 -2.643 -2.581 -3.288 1.00 1.00 H new ATOM 85 N ALA A 55 1.615 -6.506 3.722 1.00 1.00 N ATOM 86 CA ALA A 55 2.008 -7.731 4.481 1.00 1.00 C ATOM 87 C ALA A 55 0.715 -8.416 4.941 1.00 1.00 C ATOM 88 O ALA A 55 0.633 -9.625 5.048 1.00 1.00 O ATOM 89 CB ALA A 55 2.862 -7.317 5.686 1.00 1.00 C ATOM 0 H ALA A 55 1.862 -5.616 4.155 1.00 1.00 H new ATOM 0 HA ALA A 55 2.593 -8.416 3.867 1.00 1.00 H new ATOM 0 HB1 ALA A 55 3.154 -8.205 6.247 1.00 1.00 H new ATOM 0 HB2 ALA A 55 3.755 -6.798 5.338 1.00 1.00 H new ATOM 0 HB3 ALA A 55 2.285 -6.654 6.331 1.00 1.00 H new ATOM 95 N GLY A 56 -0.271 -7.594 5.187 1.00 1.00 N ATOM 96 CA GLY A 56 -1.587 -8.118 5.641 1.00 1.00 C ATOM 97 C GLY A 56 -2.162 -8.761 4.401 1.00 1.00 C ATOM 98 O GLY A 56 -2.582 -9.898 4.425 1.00 1.00 O ATOM 0 H GLY A 56 -0.219 -6.580 5.092 1.00 1.00 H new ATOM 0 HA2 GLY A 56 -1.473 -8.839 6.450 1.00 1.00 H new ATOM 0 HA3 GLY A 56 -2.229 -7.320 6.013 1.00 1.00 H new ATOM 102 N VAL A 57 -2.150 -8.005 3.336 1.00 1.00 N ATOM 103 CA VAL A 57 -2.676 -8.496 2.040 1.00 1.00 C ATOM 104 C VAL A 57 -2.143 -9.908 1.732 1.00 1.00 C ATOM 105 O VAL A 57 -2.906 -10.815 1.452 1.00 1.00 O ATOM 106 CB VAL A 57 -2.245 -7.471 0.968 1.00 1.00 C ATOM 107 CG1 VAL A 57 -2.669 -7.964 -0.418 1.00 1.00 C ATOM 108 CG2 VAL A 57 -2.903 -6.090 1.240 1.00 1.00 C ATOM 0 H VAL A 57 -1.790 -7.051 3.315 1.00 1.00 H new ATOM 0 HA VAL A 57 -3.762 -8.583 2.062 1.00 1.00 H new ATOM 0 HB VAL A 57 -1.161 -7.364 1.008 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -2.363 -7.238 -1.172 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -2.194 -8.923 -0.624 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -3.752 -8.082 -0.447 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -2.588 -5.380 0.475 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -3.988 -6.193 1.215 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -2.595 -5.727 2.221 1.00 1.00 H new ATOM 118 N GLU A 58 -0.849 -10.070 1.796 1.00 1.00 N ATOM 119 CA GLU A 58 -0.255 -11.415 1.506 1.00 1.00 C ATOM 120 C GLU A 58 -0.806 -12.521 2.400 1.00 1.00 C ATOM 121 O GLU A 58 -0.826 -13.672 2.009 1.00 1.00 O ATOM 122 CB GLU A 58 1.286 -11.319 1.683 1.00 1.00 C ATOM 123 CG GLU A 58 2.013 -11.403 0.318 1.00 1.00 C ATOM 124 CD GLU A 58 2.858 -12.702 0.252 1.00 1.00 C ATOM 125 OE1 GLU A 58 2.254 -13.761 0.294 1.00 1.00 O ATOM 126 OE2 GLU A 58 4.069 -12.580 0.166 1.00 1.00 O ATOM 0 H GLU A 58 -0.179 -9.339 2.034 1.00 1.00 H new ATOM 0 HA GLU A 58 -0.523 -11.683 0.484 1.00 1.00 H new ATOM 0 HB2 GLU A 58 1.540 -10.381 2.176 1.00 1.00 H new ATOM 0 HB3 GLU A 58 1.631 -12.124 2.332 1.00 1.00 H new ATOM 0 HG2 GLU A 58 1.285 -11.390 -0.493 1.00 1.00 H new ATOM 0 HG3 GLU A 58 2.656 -10.533 0.184 1.00 1.00 H new ATOM 133 N ALA A 59 -1.258 -12.160 3.567 1.00 1.00 N ATOM 134 CA ALA A 59 -1.800 -13.217 4.477 1.00 1.00 C ATOM 135 C ALA A 59 -3.139 -13.719 3.934 1.00 1.00 C ATOM 136 O ALA A 59 -3.575 -14.819 4.210 1.00 1.00 O ATOM 137 CB ALA A 59 -1.980 -12.611 5.879 1.00 1.00 C ATOM 0 H ALA A 59 -1.278 -11.206 3.928 1.00 1.00 H new ATOM 0 HA ALA A 59 -1.112 -14.060 4.533 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -2.375 -13.369 6.555 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -1.017 -12.260 6.250 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -2.676 -11.774 5.827 1.00 1.00 H new ATOM 143 N ILE A 60 -3.743 -12.869 3.158 1.00 1.00 N ATOM 144 CA ILE A 60 -5.062 -13.187 2.549 1.00 1.00 C ATOM 145 C ILE A 60 -4.836 -14.013 1.292 1.00 1.00 C ATOM 146 O ILE A 60 -5.417 -15.065 1.113 1.00 1.00 O ATOM 147 CB ILE A 60 -5.782 -11.861 2.194 1.00 1.00 C ATOM 148 CG1 ILE A 60 -5.533 -10.819 3.326 1.00 1.00 C ATOM 149 CG2 ILE A 60 -7.297 -12.144 2.067 1.00 1.00 C ATOM 150 CD1 ILE A 60 -6.082 -9.454 2.941 1.00 1.00 C ATOM 0 H ILE A 60 -3.372 -11.950 2.915 1.00 1.00 H new ATOM 0 HA ILE A 60 -5.678 -13.755 3.246 1.00 1.00 H new ATOM 0 HB ILE A 60 -5.399 -11.463 1.254 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -6.006 -11.158 4.248 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -4.464 -10.742 3.526 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -7.820 -11.221 1.817 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -7.465 -12.880 1.281 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -7.675 -12.531 3.013 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -5.895 -8.746 3.748 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -5.590 -9.107 2.032 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -7.155 -9.530 2.766 1.00 1.00 H new ATOM 162 N ILE A 61 -3.976 -13.507 0.450 1.00 1.00 N ATOM 163 CA ILE A 61 -3.692 -14.235 -0.812 1.00 1.00 C ATOM 164 C ILE A 61 -3.079 -15.580 -0.455 1.00 1.00 C ATOM 165 O ILE A 61 -3.346 -16.551 -1.136 1.00 1.00 O ATOM 166 CB ILE A 61 -2.773 -13.310 -1.676 1.00 1.00 C ATOM 167 CG1 ILE A 61 -1.362 -13.267 -1.173 1.00 1.00 C ATOM 168 CG2 ILE A 61 -3.361 -11.877 -1.782 1.00 1.00 C ATOM 169 CD1 ILE A 61 -0.601 -14.439 -1.780 1.00 1.00 C ATOM 0 H ILE A 61 -3.466 -12.633 0.581 1.00 1.00 H new ATOM 0 HA ILE A 61 -4.581 -14.454 -1.404 1.00 1.00 H new ATOM 0 HB ILE A 61 -2.743 -13.748 -2.673 1.00 1.00 H new ATOM 0 HG12 ILE A 61 -0.889 -12.324 -1.448 1.00 1.00 H new ATOM 0 HG13 ILE A 61 -1.345 -13.326 -0.085 1.00 1.00 H new ATOM 0 HG21 ILE A 61 -2.701 -11.257 -2.388 1.00 1.00 H new ATOM 0 HG22 ILE A 61 -4.346 -11.921 -2.247 1.00 1.00 H new ATOM 0 HG23 ILE A 61 -3.450 -11.446 -0.785 1.00 1.00 H new ATOM 0 HD11 ILE A 61 0.430 -14.426 -1.426 1.00 1.00 H new ATOM 0 HD12 ILE A 61 -1.075 -15.374 -1.482 1.00 1.00 H new ATOM 0 HD13 ILE A 61 -0.612 -14.357 -2.867 1.00 1.00 H new ATOM 181 N ARG A 62 -2.283 -15.619 0.588 1.00 1.00 N ATOM 182 CA ARG A 62 -1.662 -16.920 0.978 1.00 1.00 C ATOM 183 C ARG A 62 -2.712 -18.001 1.227 1.00 1.00 C ATOM 184 O ARG A 62 -2.385 -19.167 1.163 1.00 1.00 O ATOM 185 CB ARG A 62 -0.820 -16.753 2.247 1.00 1.00 C ATOM 186 CG ARG A 62 0.665 -16.667 1.808 1.00 1.00 C ATOM 187 CD ARG A 62 1.540 -16.705 3.042 1.00 1.00 C ATOM 188 NE ARG A 62 2.953 -16.978 2.623 1.00 1.00 N ATOM 189 CZ ARG A 62 3.930 -16.189 2.974 1.00 1.00 C ATOM 190 NH1 ARG A 62 4.143 -15.113 2.271 1.00 1.00 N ATOM 191 NH2 ARG A 62 4.659 -16.506 4.009 1.00 1.00 N ATOM 0 H ARG A 62 -2.041 -14.821 1.175 1.00 1.00 H new ATOM 0 HA ARG A 62 -1.031 -17.231 0.145 1.00 1.00 H new ATOM 0 HB2 ARG A 62 -1.114 -15.853 2.787 1.00 1.00 H new ATOM 0 HB3 ARG A 62 -0.973 -17.594 2.923 1.00 1.00 H new ATOM 0 HG2 ARG A 62 0.911 -17.496 1.145 1.00 1.00 H new ATOM 0 HG3 ARG A 62 0.841 -15.748 1.249 1.00 1.00 H new ATOM 0 HD2 ARG A 62 1.481 -15.757 3.576 1.00 1.00 H new ATOM 0 HD3 ARG A 62 1.193 -17.479 3.727 1.00 1.00 H new ATOM 0 HE ARG A 62 3.155 -17.798 2.051 1.00 1.00 H new ATOM 0 HH11 ARG A 62 3.552 -14.904 1.467 1.00 1.00 H new ATOM 0 HH12 ARG A 62 4.901 -14.480 2.525 1.00 1.00 H new ATOM 0 HH21 ARG A 62 4.461 -17.360 4.530 1.00 1.00 H new ATOM 0 HH22 ARG A 62 5.427 -15.900 4.297 1.00 1.00 H new ATOM 205 N ILE A 63 -3.933 -17.621 1.508 1.00 1.00 N ATOM 206 CA ILE A 63 -4.964 -18.673 1.748 1.00 1.00 C ATOM 207 C ILE A 63 -6.075 -18.629 0.688 1.00 1.00 C ATOM 208 O ILE A 63 -6.525 -19.655 0.224 1.00 1.00 O ATOM 209 CB ILE A 63 -5.497 -18.459 3.198 1.00 1.00 C ATOM 210 CG1 ILE A 63 -6.589 -19.490 3.483 1.00 1.00 C ATOM 211 CG2 ILE A 63 -6.081 -17.063 3.412 1.00 1.00 C ATOM 212 CD1 ILE A 63 -6.593 -19.840 4.971 1.00 1.00 C ATOM 0 H ILE A 63 -4.254 -16.655 1.580 1.00 1.00 H new ATOM 0 HA ILE A 63 -4.535 -19.671 1.658 1.00 1.00 H new ATOM 0 HB ILE A 63 -4.650 -18.573 3.875 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -7.561 -19.094 3.190 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -6.419 -20.388 2.889 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -6.436 -16.971 4.438 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -5.311 -16.314 3.226 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -6.913 -16.907 2.725 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -7.373 -20.575 5.170 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -5.624 -20.254 5.250 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -6.785 -18.940 5.556 1.00 1.00 H new ATOM 224 N LEU A 64 -6.458 -17.440 0.321 1.00 1.00 N ATOM 225 CA LEU A 64 -7.528 -17.204 -0.686 1.00 1.00 C ATOM 226 C LEU A 64 -7.164 -17.857 -2.009 1.00 1.00 C ATOM 227 O LEU A 64 -7.610 -18.938 -2.339 1.00 1.00 O ATOM 228 CB LEU A 64 -7.699 -15.659 -0.805 1.00 1.00 C ATOM 229 CG LEU A 64 -8.689 -15.280 -1.922 1.00 1.00 C ATOM 230 CD1 LEU A 64 -10.115 -15.771 -1.580 1.00 1.00 C ATOM 231 CD2 LEU A 64 -8.707 -13.749 -2.113 1.00 1.00 C ATOM 0 H LEU A 64 -6.053 -16.583 0.697 1.00 1.00 H new ATOM 0 HA LEU A 64 -8.474 -17.653 -0.385 1.00 1.00 H new ATOM 0 HB2 LEU A 64 -8.051 -15.258 0.145 1.00 1.00 H new ATOM 0 HB3 LEU A 64 -6.731 -15.200 -1.006 1.00 1.00 H new ATOM 0 HG LEU A 64 -8.363 -15.761 -2.844 1.00 1.00 H new ATOM 0 HD11 LEU A 64 -10.798 -15.493 -2.383 1.00 1.00 H new ATOM 0 HD12 LEU A 64 -10.109 -16.855 -1.468 1.00 1.00 H new ATOM 0 HD13 LEU A 64 -10.444 -15.312 -0.648 1.00 1.00 H new ATOM 0 HD21 LEU A 64 -9.410 -13.489 -2.905 1.00 1.00 H new ATOM 0 HD22 LEU A 64 -9.015 -13.270 -1.183 1.00 1.00 H new ATOM 0 HD23 LEU A 64 -7.709 -13.405 -2.386 1.00 1.00 H new ATOM 243 N GLN A 65 -6.338 -17.202 -2.766 1.00 1.00 N ATOM 244 CA GLN A 65 -5.982 -17.829 -4.056 1.00 1.00 C ATOM 245 C GLN A 65 -5.107 -19.043 -3.841 1.00 1.00 C ATOM 246 O GLN A 65 -4.811 -19.741 -4.792 1.00 1.00 O ATOM 247 CB GLN A 65 -5.247 -16.789 -4.937 1.00 1.00 C ATOM 248 CG GLN A 65 -6.117 -15.532 -5.216 1.00 1.00 C ATOM 249 CD GLN A 65 -5.305 -14.534 -6.056 1.00 1.00 C ATOM 250 OE1 GLN A 65 -5.682 -14.156 -7.144 1.00 1.00 O ATOM 251 NE2 GLN A 65 -4.178 -14.079 -5.592 1.00 1.00 N ATOM 0 H GLN A 65 -5.911 -16.299 -2.560 1.00 1.00 H new ATOM 0 HA GLN A 65 -6.893 -18.157 -4.556 1.00 1.00 H new ATOM 0 HB2 GLN A 65 -4.323 -16.487 -4.444 1.00 1.00 H new ATOM 0 HB3 GLN A 65 -4.967 -17.251 -5.883 1.00 1.00 H new ATOM 0 HG2 GLN A 65 -7.027 -15.815 -5.744 1.00 1.00 H new ATOM 0 HG3 GLN A 65 -6.424 -15.071 -4.277 1.00 1.00 H new ATOM 0 HE21 GLN A 65 -3.842 -14.384 -4.678 1.00 1.00 H new ATOM 0 HE22 GLN A 65 -3.630 -13.417 -6.142 1.00 1.00 H new ATOM 260 N GLN A 66 -4.720 -19.304 -2.622 1.00 1.00 N ATOM 261 CA GLN A 66 -3.855 -20.501 -2.454 1.00 1.00 C ATOM 262 C GLN A 66 -4.731 -21.728 -2.225 1.00 1.00 C ATOM 263 O GLN A 66 -4.329 -22.833 -2.540 1.00 1.00 O ATOM 264 CB GLN A 66 -2.922 -20.245 -1.279 1.00 1.00 C ATOM 265 CG GLN A 66 -1.727 -21.228 -1.357 1.00 1.00 C ATOM 266 CD GLN A 66 -0.561 -20.719 -0.510 1.00 1.00 C ATOM 267 OE1 GLN A 66 -0.082 -21.377 0.385 1.00 1.00 O ATOM 268 NE2 GLN A 66 -0.062 -19.546 -0.761 1.00 1.00 N ATOM 0 H GLN A 66 -4.949 -18.775 -1.781 1.00 1.00 H new ATOM 0 HA GLN A 66 -3.256 -20.687 -3.346 1.00 1.00 H new ATOM 0 HB2 GLN A 66 -2.564 -19.216 -1.300 1.00 1.00 H new ATOM 0 HB3 GLN A 66 -3.457 -20.377 -0.338 1.00 1.00 H new ATOM 0 HG2 GLN A 66 -2.035 -22.213 -1.008 1.00 1.00 H new ATOM 0 HG3 GLN A 66 -1.409 -21.342 -2.393 1.00 1.00 H new ATOM 0 HE21 GLN A 66 -0.452 -18.976 -1.512 1.00 1.00 H new ATOM 0 HE22 GLN A 66 0.720 -19.195 -0.208 1.00 1.00 H new ATOM 277 N LEU A 67 -5.916 -21.517 -1.708 1.00 1.00 N ATOM 278 CA LEU A 67 -6.789 -22.706 -1.470 1.00 1.00 C ATOM 279 C LEU A 67 -7.473 -22.956 -2.798 1.00 1.00 C ATOM 280 O LEU A 67 -7.850 -24.054 -3.154 1.00 1.00 O ATOM 281 CB LEU A 67 -7.788 -22.380 -0.308 1.00 1.00 C ATOM 282 CG LEU A 67 -8.846 -21.273 -0.575 1.00 1.00 C ATOM 283 CD1 LEU A 67 -10.018 -21.788 -1.442 1.00 1.00 C ATOM 284 CD2 LEU A 67 -9.448 -20.811 0.778 1.00 1.00 C ATOM 0 H LEU A 67 -6.305 -20.610 -1.449 1.00 1.00 H new ATOM 0 HA LEU A 67 -6.251 -23.600 -1.156 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -8.316 -23.297 -0.048 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -7.206 -22.089 0.567 1.00 1.00 H new ATOM 0 HG LEU A 67 -8.341 -20.462 -1.099 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -10.733 -20.981 -1.603 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -9.636 -22.132 -2.403 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -10.512 -22.614 -0.932 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -10.191 -20.034 0.599 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -9.921 -21.659 1.274 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -8.655 -20.415 1.413 1.00 1.00 H new