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= 0.653 K(o=0.65,f=-7.1!) USER MOD Single : A 66 GLN : amide:sc= -1.22 K(o=-1.2,f=-10!) USER MOD ----------------------------------------------------------------- ATOM 35 N ASP A 52 4.131 -0.631 4.378 1.00 1.00 N ATOM 36 CA ASP A 52 4.279 -2.126 4.390 1.00 1.00 C ATOM 37 C ASP A 52 2.938 -2.767 4.770 1.00 1.00 C ATOM 38 O ASP A 52 2.873 -3.857 5.304 1.00 1.00 O ATOM 39 CB ASP A 52 5.373 -2.504 5.416 1.00 1.00 C ATOM 40 CG ASP A 52 6.698 -1.811 5.051 1.00 1.00 C ATOM 41 OD1 ASP A 52 6.768 -0.623 5.341 1.00 1.00 O ATOM 42 OD2 ASP A 52 7.558 -2.488 4.509 1.00 1.00 O ATOM 0 HA ASP A 52 4.569 -2.489 3.404 1.00 1.00 H new ATOM 0 HB2 ASP A 52 5.062 -2.208 6.418 1.00 1.00 H new ATOM 0 HB3 ASP A 52 5.511 -3.585 5.432 1.00 1.00 H new ATOM 47 N THR A 53 1.871 -2.078 4.453 1.00 1.00 N ATOM 48 CA THR A 53 0.504 -2.576 4.775 1.00 1.00 C ATOM 49 C THR A 53 0.230 -3.845 4.023 1.00 1.00 C ATOM 50 O THR A 53 -0.544 -4.714 4.388 1.00 1.00 O ATOM 51 CB THR A 53 -0.486 -1.411 4.426 1.00 1.00 C ATOM 52 OG1 THR A 53 -1.794 -1.855 4.751 1.00 1.00 O ATOM 53 CG2 THR A 53 -0.546 -1.123 2.911 1.00 1.00 C ATOM 0 H THR A 53 1.893 -1.176 3.977 1.00 1.00 H new ATOM 0 HA THR A 53 0.388 -2.835 5.827 1.00 1.00 H new ATOM 0 HB THR A 53 -0.151 -0.526 4.966 1.00 1.00 H new ATOM 0 HG1 THR A 53 -2.440 -1.147 4.546 1.00 1.00 H new ATOM 0 HG21 THR A 53 -1.245 -0.308 2.723 1.00 1.00 H new ATOM 0 HG22 THR A 53 0.445 -0.840 2.555 1.00 1.00 H new ATOM 0 HG23 THR A 53 -0.880 -2.017 2.384 1.00 1.00 H new ATOM 61 N TRP A 54 0.948 -3.902 2.954 1.00 1.00 N ATOM 62 CA TRP A 54 0.828 -5.068 2.073 1.00 1.00 C ATOM 63 C TRP A 54 1.126 -6.383 2.791 1.00 1.00 C ATOM 64 O TRP A 54 0.713 -7.437 2.342 1.00 1.00 O ATOM 65 CB TRP A 54 1.775 -4.877 0.890 1.00 1.00 C ATOM 66 CG TRP A 54 1.244 -3.706 0.062 1.00 1.00 C ATOM 67 CD1 TRP A 54 1.628 -2.390 0.108 1.00 1.00 C ATOM 68 CD2 TRP A 54 0.265 -3.771 -0.897 1.00 1.00 C ATOM 69 NE1 TRP A 54 0.954 -1.668 -0.751 1.00 1.00 N ATOM 70 CE2 TRP A 54 0.125 -2.470 -1.372 1.00 1.00 C ATOM 71 CE3 TRP A 54 -0.522 -4.795 -1.416 1.00 1.00 C ATOM 72 CZ2 TRP A 54 -0.807 -2.195 -2.373 1.00 1.00 C ATOM 73 CZ3 TRP A 54 -1.452 -4.521 -2.415 1.00 1.00 C ATOM 74 CH2 TRP A 54 -1.596 -3.222 -2.895 1.00 1.00 C ATOM 0 H TRP A 54 1.613 -3.190 2.653 1.00 1.00 H new ATOM 0 HA TRP A 54 -0.205 -5.136 1.732 1.00 1.00 H new ATOM 0 HB2 TRP A 54 2.787 -4.673 1.238 1.00 1.00 H new ATOM 0 HB3 TRP A 54 1.822 -5.783 0.286 1.00 1.00 H new ATOM 0 HD1 TRP A 54 2.389 -2.000 0.768 1.00 1.00 H new ATOM 0 HE1 TRP A 54 1.056 -0.665 -0.908 1.00 1.00 H new ATOM 0 HE3 TRP A 54 -0.411 -5.803 -1.043 1.00 1.00 H new ATOM 0 HZ2 TRP A 54 -0.918 -1.187 -2.744 1.00 1.00 H new ATOM 0 HZ3 TRP A 54 -2.062 -5.316 -2.818 1.00 1.00 H new ATOM 0 HH2 TRP A 54 -2.317 -3.009 -3.670 1.00 1.00 H new ATOM 85 N ALA A 55 1.830 -6.301 3.890 1.00 1.00 N ATOM 86 CA ALA A 55 2.141 -7.562 4.631 1.00 1.00 C ATOM 87 C ALA A 55 0.818 -8.190 5.099 1.00 1.00 C ATOM 88 O ALA A 55 0.706 -9.391 5.259 1.00 1.00 O ATOM 89 CB ALA A 55 3.029 -7.218 5.833 1.00 1.00 C ATOM 0 H ALA A 55 2.195 -5.441 4.299 1.00 1.00 H new ATOM 0 HA ALA A 55 2.668 -8.272 3.993 1.00 1.00 H new ATOM 0 HB1 ALA A 55 3.264 -8.129 6.384 1.00 1.00 H new ATOM 0 HB2 ALA A 55 3.952 -6.757 5.483 1.00 1.00 H new ATOM 0 HB3 ALA A 55 2.502 -6.524 6.488 1.00 1.00 H new ATOM 95 N GLY A 56 -0.159 -7.342 5.292 1.00 1.00 N ATOM 96 CA GLY A 56 -1.495 -7.822 5.747 1.00 1.00 C ATOM 97 C GLY A 56 -2.088 -8.518 4.541 1.00 1.00 C ATOM 98 O GLY A 56 -2.514 -9.651 4.614 1.00 1.00 O ATOM 0 H GLY A 56 -0.087 -6.334 5.153 1.00 1.00 H new ATOM 0 HA2 GLY A 56 -1.403 -8.504 6.592 1.00 1.00 H new ATOM 0 HA3 GLY A 56 -2.123 -6.993 6.074 1.00 1.00 H new ATOM 102 N VAL A 57 -2.082 -7.803 3.453 1.00 1.00 N ATOM 103 CA VAL A 57 -2.623 -8.322 2.171 1.00 1.00 C ATOM 104 C VAL A 57 -2.081 -9.734 1.901 1.00 1.00 C ATOM 105 O VAL A 57 -2.816 -10.674 1.640 1.00 1.00 O ATOM 106 CB VAL A 57 -2.202 -7.314 1.085 1.00 1.00 C ATOM 107 CG1 VAL A 57 -2.666 -7.801 -0.289 1.00 1.00 C ATOM 108 CG2 VAL A 57 -2.828 -5.930 1.369 1.00 1.00 C ATOM 0 H VAL A 57 -1.714 -6.853 3.399 1.00 1.00 H new ATOM 0 HA VAL A 57 -3.709 -8.415 2.190 1.00 1.00 H new ATOM 0 HB VAL A 57 -1.115 -7.229 1.095 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -2.364 -7.082 -1.051 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -2.213 -8.769 -0.504 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -3.752 -7.899 -0.293 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -2.523 -5.227 0.594 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -3.915 -6.016 1.373 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -2.489 -5.570 2.340 1.00 1.00 H new ATOM 118 N GLU A 58 -0.783 -9.838 1.979 1.00 1.00 N ATOM 119 CA GLU A 58 -0.157 -11.171 1.732 1.00 1.00 C ATOM 120 C GLU A 58 -0.677 -12.257 2.657 1.00 1.00 C ATOM 121 O GLU A 58 -0.612 -13.421 2.316 1.00 1.00 O ATOM 122 CB GLU A 58 1.371 -11.030 1.898 1.00 1.00 C ATOM 123 CG GLU A 58 2.034 -10.960 0.508 1.00 1.00 C ATOM 124 CD GLU A 58 1.947 -12.317 -0.250 1.00 1.00 C ATOM 125 OE1 GLU A 58 1.786 -13.347 0.390 1.00 1.00 O ATOM 126 OE2 GLU A 58 2.051 -12.231 -1.464 1.00 1.00 O ATOM 0 H GLU A 58 -0.139 -9.078 2.198 1.00 1.00 H new ATOM 0 HA GLU A 58 -0.419 -11.479 0.720 1.00 1.00 H new ATOM 0 HB2 GLU A 58 1.604 -10.132 2.470 1.00 1.00 H new ATOM 0 HB3 GLU A 58 1.766 -11.877 2.459 1.00 1.00 H new ATOM 0 HG2 GLU A 58 1.552 -10.182 -0.085 1.00 1.00 H new ATOM 0 HG3 GLU A 58 3.080 -10.674 0.619 1.00 1.00 H new ATOM 133 N ALA A 59 -1.195 -11.878 3.788 1.00 1.00 N ATOM 134 CA ALA A 59 -1.712 -12.927 4.719 1.00 1.00 C ATOM 135 C ALA A 59 -3.096 -13.370 4.248 1.00 1.00 C ATOM 136 O ALA A 59 -3.583 -14.416 4.626 1.00 1.00 O ATOM 137 CB ALA A 59 -1.778 -12.334 6.134 1.00 1.00 C ATOM 0 H ALA A 59 -1.284 -10.913 4.108 1.00 1.00 H new ATOM 0 HA ALA A 59 -1.055 -13.797 4.730 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -2.154 -13.087 6.827 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -0.781 -12.021 6.444 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -2.446 -11.473 6.137 1.00 1.00 H new ATOM 143 N ILE A 60 -3.684 -12.541 3.433 1.00 1.00 N ATOM 144 CA ILE A 60 -5.038 -12.841 2.895 1.00 1.00 C ATOM 145 C ILE A 60 -4.845 -13.657 1.619 1.00 1.00 C ATOM 146 O ILE A 60 -5.434 -14.706 1.457 1.00 1.00 O ATOM 147 CB ILE A 60 -5.783 -11.510 2.569 1.00 1.00 C ATOM 148 CG1 ILE A 60 -5.505 -10.468 3.685 1.00 1.00 C ATOM 149 CG2 ILE A 60 -7.304 -11.788 2.512 1.00 1.00 C ATOM 150 CD1 ILE A 60 -6.067 -9.099 3.304 1.00 1.00 C ATOM 0 H ILE A 60 -3.280 -11.660 3.114 1.00 1.00 H new ATOM 0 HA ILE A 60 -5.633 -13.395 3.622 1.00 1.00 H new ATOM 0 HB ILE A 60 -5.433 -11.122 1.612 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -5.954 -10.802 4.620 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -4.431 -10.390 3.856 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -7.835 -10.863 2.285 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -7.510 -12.525 1.736 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -7.640 -12.172 3.475 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -5.860 -8.386 4.102 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -5.598 -8.757 2.381 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -7.144 -9.176 3.157 1.00 1.00 H new ATOM 162 N ILE A 61 -4.003 -13.158 0.746 1.00 1.00 N ATOM 163 CA ILE A 61 -3.751 -13.869 -0.534 1.00 1.00 C ATOM 164 C ILE A 61 -3.201 -15.265 -0.240 1.00 1.00 C ATOM 165 O ILE A 61 -3.575 -16.208 -0.914 1.00 1.00 O ATOM 166 CB ILE A 61 -2.791 -12.968 -1.379 1.00 1.00 C ATOM 167 CG1 ILE A 61 -1.364 -12.995 -0.921 1.00 1.00 C ATOM 168 CG2 ILE A 61 -3.318 -11.514 -1.472 1.00 1.00 C ATOM 169 CD1 ILE A 61 -0.694 -14.192 -1.577 1.00 1.00 C ATOM 0 H ILE A 61 -3.483 -12.289 0.870 1.00 1.00 H new ATOM 0 HA ILE A 61 -4.660 -14.029 -1.115 1.00 1.00 H new ATOM 0 HB ILE A 61 -2.789 -13.406 -2.377 1.00 1.00 H new ATOM 0 HG12 ILE A 61 -0.855 -12.072 -1.198 1.00 1.00 H new ATOM 0 HG13 ILE A 61 -1.312 -13.074 0.165 1.00 1.00 H new ATOM 0 HG21 ILE A 61 -2.628 -10.914 -2.066 1.00 1.00 H new ATOM 0 HG22 ILE A 61 -4.300 -11.512 -1.945 1.00 1.00 H new ATOM 0 HG23 ILE A 61 -3.397 -11.091 -0.471 1.00 1.00 H new ATOM 0 HD11 ILE A 61 0.349 -14.242 -1.264 1.00 1.00 H new ATOM 0 HD12 ILE A 61 -1.207 -15.106 -1.277 1.00 1.00 H new ATOM 0 HD13 ILE A 61 -0.743 -14.088 -2.661 1.00 1.00 H new ATOM 181 N ARG A 62 -2.336 -15.385 0.746 1.00 1.00 N ATOM 182 CA ARG A 62 -1.774 -16.730 1.072 1.00 1.00 C ATOM 183 C ARG A 62 -2.907 -17.746 1.252 1.00 1.00 C ATOM 184 O ARG A 62 -2.751 -18.906 0.934 1.00 1.00 O ATOM 185 CB ARG A 62 -0.929 -16.610 2.369 1.00 1.00 C ATOM 186 CG ARG A 62 -0.101 -17.899 2.589 1.00 1.00 C ATOM 187 CD ARG A 62 -0.862 -18.970 3.428 1.00 1.00 C ATOM 188 NE ARG A 62 -0.397 -20.336 3.021 1.00 1.00 N ATOM 189 CZ ARG A 62 0.784 -20.804 3.332 1.00 1.00 C ATOM 190 NH1 ARG A 62 1.234 -20.728 4.554 1.00 1.00 N ATOM 191 NH2 ARG A 62 1.473 -21.347 2.370 1.00 1.00 N ATOM 0 H ARG A 62 -2.002 -14.618 1.329 1.00 1.00 H new ATOM 0 HA ARG A 62 -1.140 -17.079 0.257 1.00 1.00 H new ATOM 0 HB2 ARG A 62 -0.264 -15.749 2.300 1.00 1.00 H new ATOM 0 HB3 ARG A 62 -1.584 -16.439 3.224 1.00 1.00 H new ATOM 0 HG2 ARG A 62 0.165 -18.324 1.621 1.00 1.00 H new ATOM 0 HG3 ARG A 62 0.832 -17.645 3.093 1.00 1.00 H new ATOM 0 HD2 ARG A 62 -0.681 -18.813 4.491 1.00 1.00 H new ATOM 0 HD3 ARG A 62 -1.937 -18.877 3.271 1.00 1.00 H new ATOM 0 HE ARG A 62 -1.029 -20.925 2.479 1.00 1.00 H new ATOM 0 HH11 ARG A 62 0.663 -20.299 5.282 1.00 1.00 H new ATOM 0 HH12 ARG A 62 2.157 -21.097 4.781 1.00 1.00 H new ATOM 0 HH21 ARG A 62 1.085 -21.392 1.428 1.00 1.00 H new ATOM 0 HH22 ARG A 62 2.400 -21.728 2.559 1.00 1.00 H new ATOM 205 N ILE A 63 -4.022 -17.289 1.755 1.00 1.00 N ATOM 206 CA ILE A 63 -5.166 -18.216 1.962 1.00 1.00 C ATOM 207 C ILE A 63 -6.372 -17.821 1.104 1.00 1.00 C ATOM 208 O ILE A 63 -7.506 -18.156 1.389 1.00 1.00 O ATOM 209 CB ILE A 63 -5.430 -18.196 3.495 1.00 1.00 C ATOM 210 CG1 ILE A 63 -6.544 -19.178 3.828 1.00 1.00 C ATOM 211 CG2 ILE A 63 -5.849 -16.800 3.965 1.00 1.00 C ATOM 212 CD1 ILE A 63 -6.325 -19.735 5.218 1.00 1.00 C ATOM 0 H ILE A 63 -4.188 -16.321 2.029 1.00 1.00 H new ATOM 0 HA ILE A 63 -4.952 -19.234 1.636 1.00 1.00 H new ATOM 0 HB ILE A 63 -4.507 -18.476 4.003 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -7.512 -18.679 3.772 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -6.560 -19.988 3.098 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -6.027 -16.816 5.040 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -5.056 -16.087 3.739 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -6.763 -16.502 3.451 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -7.122 -20.439 5.458 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -5.364 -20.248 5.257 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -6.331 -18.920 5.942 1.00 1.00 H new ATOM 224 N LEU A 64 -6.082 -17.106 0.053 1.00 1.00 N ATOM 225 CA LEU A 64 -7.173 -16.676 -0.853 1.00 1.00 C ATOM 226 C LEU A 64 -7.175 -17.742 -1.943 1.00 1.00 C ATOM 227 O LEU A 64 -7.455 -18.894 -1.663 1.00 1.00 O ATOM 228 CB LEU A 64 -6.836 -15.252 -1.378 1.00 1.00 C ATOM 229 CG LEU A 64 -7.985 -14.667 -2.239 1.00 1.00 C ATOM 230 CD1 LEU A 64 -9.288 -14.539 -1.413 1.00 1.00 C ATOM 231 CD2 LEU A 64 -7.582 -13.270 -2.747 1.00 1.00 C ATOM 0 H LEU A 64 -5.144 -16.805 -0.213 1.00 1.00 H new ATOM 0 HA LEU A 64 -8.159 -16.600 -0.396 1.00 1.00 H new ATOM 0 HB2 LEU A 64 -6.642 -14.590 -0.534 1.00 1.00 H new ATOM 0 HB3 LEU A 64 -5.922 -15.290 -1.970 1.00 1.00 H new ATOM 0 HG LEU A 64 -8.163 -15.342 -3.076 1.00 1.00 H new ATOM 0 HD11 LEU A 64 -10.078 -14.126 -2.041 1.00 1.00 H new ATOM 0 HD12 LEU A 64 -9.588 -15.523 -1.052 1.00 1.00 H new ATOM 0 HD13 LEU A 64 -9.117 -13.878 -0.564 1.00 1.00 H new ATOM 0 HD21 LEU A 64 -8.388 -12.857 -3.353 1.00 1.00 H new ATOM 0 HD22 LEU A 64 -7.394 -12.614 -1.897 1.00 1.00 H new ATOM 0 HD23 LEU A 64 -6.678 -13.349 -3.351 1.00 1.00 H new ATOM 243 N GLN A 65 -6.846 -17.394 -3.154 1.00 1.00 N ATOM 244 CA GLN A 65 -6.857 -18.431 -4.208 1.00 1.00 C ATOM 245 C GLN A 65 -5.757 -19.475 -4.029 1.00 1.00 C ATOM 246 O GLN A 65 -5.419 -20.142 -4.983 1.00 1.00 O ATOM 247 CB GLN A 65 -6.727 -17.742 -5.613 1.00 1.00 C ATOM 248 CG GLN A 65 -5.303 -17.167 -5.947 1.00 1.00 C ATOM 249 CD GLN A 65 -4.928 -15.906 -5.158 1.00 1.00 C ATOM 250 OE1 GLN A 65 -5.717 -15.311 -4.455 1.00 1.00 O ATOM 251 NE2 GLN A 65 -3.716 -15.445 -5.238 1.00 1.00 N ATOM 0 H GLN A 65 -6.576 -16.456 -3.451 1.00 1.00 H new ATOM 0 HA GLN A 65 -7.804 -18.965 -4.132 1.00 1.00 H new ATOM 0 HB2 GLN A 65 -6.998 -18.466 -6.381 1.00 1.00 H new ATOM 0 HB3 GLN A 65 -7.452 -16.930 -5.670 1.00 1.00 H new ATOM 0 HG2 GLN A 65 -4.558 -17.938 -5.751 1.00 1.00 H new ATOM 0 HG3 GLN A 65 -5.256 -16.942 -7.012 1.00 1.00 H new ATOM 0 HE21 GLN A 65 -3.027 -15.921 -5.820 1.00 1.00 H new ATOM 0 HE22 GLN A 65 -3.454 -14.607 -4.719 1.00 1.00 H new ATOM 260 N GLN A 66 -5.213 -19.630 -2.851 1.00 1.00 N ATOM 261 CA GLN A 66 -4.142 -20.659 -2.712 1.00 1.00 C ATOM 262 C GLN A 66 -4.854 -22.013 -2.580 1.00 1.00 C ATOM 263 O GLN A 66 -4.439 -23.019 -3.124 1.00 1.00 O ATOM 264 CB GLN A 66 -3.303 -20.326 -1.460 1.00 1.00 C ATOM 265 CG GLN A 66 -2.052 -21.240 -1.435 1.00 1.00 C ATOM 266 CD GLN A 66 -1.039 -20.712 -0.424 1.00 1.00 C ATOM 267 OE1 GLN A 66 -0.762 -21.321 0.585 1.00 1.00 O ATOM 268 NE2 GLN A 66 -0.453 -19.577 -0.656 1.00 1.00 N ATOM 0 H GLN A 66 -5.452 -19.110 -2.007 1.00 1.00 H new ATOM 0 HA GLN A 66 -3.465 -20.684 -3.566 1.00 1.00 H new ATOM 0 HB2 GLN A 66 -3.004 -19.278 -1.475 1.00 1.00 H new ATOM 0 HB3 GLN A 66 -3.897 -20.475 -0.558 1.00 1.00 H new ATOM 0 HG2 GLN A 66 -2.341 -22.258 -1.175 1.00 1.00 H new ATOM 0 HG3 GLN A 66 -1.601 -21.280 -2.427 1.00 1.00 H new ATOM 0 HE21 GLN A 66 -0.675 -19.052 -1.502 1.00 1.00 H new ATOM 0 HE22 GLN A 66 0.230 -19.211 0.007 1.00 1.00 H new ATOM 277 N LEU A 67 -5.949 -21.975 -1.867 1.00 1.00 N ATOM 278 CA LEU A 67 -6.759 -23.211 -1.632 1.00 1.00 C ATOM 279 C LEU A 67 -7.512 -23.499 -2.914 1.00 1.00 C ATOM 280 O LEU A 67 -7.768 -24.617 -3.311 1.00 1.00 O ATOM 281 CB LEU A 67 -7.744 -22.953 -0.481 1.00 1.00 C ATOM 282 CG LEU A 67 -6.996 -22.523 0.807 1.00 1.00 C ATOM 283 CD1 LEU A 67 -8.036 -22.260 1.909 1.00 1.00 C ATOM 284 CD2 LEU A 67 -6.023 -23.627 1.287 1.00 1.00 C ATOM 0 H LEU A 67 -6.322 -21.131 -1.432 1.00 1.00 H new ATOM 0 HA LEU A 67 -6.129 -24.059 -1.363 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -8.452 -22.176 -0.771 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -8.324 -23.855 -0.285 1.00 1.00 H new ATOM 0 HG LEU A 67 -6.416 -21.626 0.593 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -7.528 -21.956 2.824 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -8.712 -21.467 1.589 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -8.606 -23.170 2.096 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -5.514 -23.295 2.192 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -6.583 -24.538 1.499 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -5.286 -23.826 0.509 1.00 1.00 H new