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= 0.0472 USER MOD Single : A 65 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 66 GLN :FLIP amide:sc= 0 F(o=-0.65,f=0) USER MOD ----------------------------------------------------------------- ATOM 35 N ASP A 52 3.392 -0.445 5.044 1.00 1.00 N ATOM 36 CA ASP A 52 3.545 -1.899 5.398 1.00 1.00 C ATOM 37 C ASP A 52 2.179 -2.583 5.554 1.00 1.00 C ATOM 38 O ASP A 52 2.083 -3.699 6.027 1.00 1.00 O ATOM 39 CB ASP A 52 4.345 -2.007 6.722 1.00 1.00 C ATOM 40 CG ASP A 52 3.581 -1.296 7.855 1.00 1.00 C ATOM 41 OD1 ASP A 52 3.818 -0.104 7.986 1.00 1.00 O ATOM 42 OD2 ASP A 52 2.811 -1.977 8.510 1.00 1.00 O ATOM 0 HA ASP A 52 4.077 -2.404 4.592 1.00 1.00 H new ATOM 0 HB2 ASP A 52 4.501 -3.055 6.978 1.00 1.00 H new ATOM 0 HB3 ASP A 52 5.331 -1.559 6.599 1.00 1.00 H new ATOM 47 N THR A 53 1.146 -1.912 5.128 1.00 1.00 N ATOM 48 CA THR A 53 -0.245 -2.441 5.223 1.00 1.00 C ATOM 49 C THR A 53 -0.368 -3.714 4.466 1.00 1.00 C ATOM 50 O THR A 53 -1.102 -4.634 4.777 1.00 1.00 O ATOM 51 CB THR A 53 -1.176 -1.361 4.662 1.00 1.00 C ATOM 52 OG1 THR A 53 -0.471 -0.928 3.500 1.00 1.00 O ATOM 53 CG2 THR A 53 -1.204 -0.110 5.556 1.00 1.00 C ATOM 0 H THR A 53 1.211 -0.987 4.703 1.00 1.00 H new ATOM 0 HA THR A 53 -0.512 -2.664 6.256 1.00 1.00 H new ATOM 0 HB THR A 53 -2.188 -1.746 4.538 1.00 1.00 H new ATOM 0 HG1 THR A 53 -0.983 -0.224 3.050 1.00 1.00 H new ATOM 0 HG21 THR A 53 -1.876 0.632 5.123 1.00 1.00 H new ATOM 0 HG22 THR A 53 -1.556 -0.382 6.551 1.00 1.00 H new ATOM 0 HG23 THR A 53 -0.200 0.308 5.628 1.00 1.00 H new ATOM 61 N TRP A 54 0.425 -3.680 3.454 1.00 1.00 N ATOM 62 CA TRP A 54 0.489 -4.822 2.540 1.00 1.00 C ATOM 63 C TRP A 54 0.826 -6.138 3.247 1.00 1.00 C ATOM 64 O TRP A 54 0.543 -7.206 2.735 1.00 1.00 O ATOM 65 CB TRP A 54 1.518 -4.483 1.445 1.00 1.00 C ATOM 66 CG TRP A 54 0.956 -3.290 0.656 1.00 1.00 C ATOM 67 CD1 TRP A 54 1.245 -1.953 0.801 1.00 1.00 C ATOM 68 CD2 TRP A 54 0.026 -3.349 -0.355 1.00 1.00 C ATOM 69 NE1 TRP A 54 0.563 -1.222 -0.043 1.00 1.00 N ATOM 70 CE2 TRP A 54 -0.181 -2.031 -0.754 1.00 1.00 C ATOM 71 CE3 TRP A 54 -0.663 -4.382 -0.980 1.00 1.00 C ATOM 72 CZ2 TRP A 54 -1.083 -1.751 -1.780 1.00 1.00 C ATOM 73 CZ3 TRP A 54 -1.564 -4.105 -2.005 1.00 1.00 C ATOM 74 CH2 TRP A 54 -1.776 -2.789 -2.406 1.00 1.00 C ATOM 0 H TRP A 54 1.038 -2.900 3.219 1.00 1.00 H new ATOM 0 HA TRP A 54 -0.496 -4.986 2.103 1.00 1.00 H new ATOM 0 HB2 TRP A 54 2.483 -4.234 1.886 1.00 1.00 H new ATOM 0 HB3 TRP A 54 1.679 -5.338 0.789 1.00 1.00 H new ATOM 0 HD1 TRP A 54 1.946 -1.557 1.521 1.00 1.00 H new ATOM 0 HE1 TRP A 54 0.604 -0.207 -0.131 1.00 1.00 H new ATOM 0 HE3 TRP A 54 -0.499 -5.403 -0.669 1.00 1.00 H new ATOM 0 HZ2 TRP A 54 -1.246 -0.730 -2.091 1.00 1.00 H new ATOM 0 HZ3 TRP A 54 -2.098 -4.910 -2.488 1.00 1.00 H new ATOM 0 HH2 TRP A 54 -2.475 -2.571 -3.200 1.00 1.00 H new ATOM 85 N ALA A 55 1.419 -6.039 4.409 1.00 1.00 N ATOM 86 CA ALA A 55 1.766 -7.296 5.146 1.00 1.00 C ATOM 87 C ALA A 55 0.466 -8.062 5.456 1.00 1.00 C ATOM 88 O ALA A 55 0.438 -9.276 5.547 1.00 1.00 O ATOM 89 CB ALA A 55 2.487 -6.918 6.446 1.00 1.00 C ATOM 0 H ALA A 55 1.674 -5.167 4.872 1.00 1.00 H new ATOM 0 HA ALA A 55 2.419 -7.930 4.546 1.00 1.00 H new ATOM 0 HB1 ALA A 55 2.747 -7.823 6.995 1.00 1.00 H new ATOM 0 HB2 ALA A 55 3.395 -6.364 6.210 1.00 1.00 H new ATOM 0 HB3 ALA A 55 1.832 -6.298 7.058 1.00 1.00 H new ATOM 95 N GLY A 56 -0.588 -7.302 5.596 1.00 1.00 N ATOM 96 CA GLY A 56 -1.918 -7.899 5.901 1.00 1.00 C ATOM 97 C GLY A 56 -2.367 -8.555 4.614 1.00 1.00 C ATOM 98 O GLY A 56 -2.759 -9.703 4.600 1.00 1.00 O ATOM 0 H GLY A 56 -0.583 -6.286 5.511 1.00 1.00 H new ATOM 0 HA2 GLY A 56 -1.846 -8.627 6.709 1.00 1.00 H new ATOM 0 HA3 GLY A 56 -2.627 -7.136 6.222 1.00 1.00 H new ATOM 102 N VAL A 57 -2.282 -7.796 3.556 1.00 1.00 N ATOM 103 CA VAL A 57 -2.685 -8.290 2.212 1.00 1.00 C ATOM 104 C VAL A 57 -1.998 -9.641 1.937 1.00 1.00 C ATOM 105 O VAL A 57 -2.625 -10.601 1.521 1.00 1.00 O ATOM 106 CB VAL A 57 -2.273 -7.187 1.216 1.00 1.00 C ATOM 107 CG1 VAL A 57 -2.583 -7.624 -0.217 1.00 1.00 C ATOM 108 CG2 VAL A 57 -3.064 -5.886 1.509 1.00 1.00 C ATOM 0 H VAL A 57 -1.943 -6.834 3.569 1.00 1.00 H new ATOM 0 HA VAL A 57 -3.756 -8.475 2.126 1.00 1.00 H new ATOM 0 HB VAL A 57 -1.203 -7.010 1.327 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -2.287 -6.836 -0.910 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -2.031 -8.535 -0.447 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -3.652 -7.812 -0.317 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -2.767 -5.112 0.801 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -4.132 -6.079 1.408 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -2.850 -5.551 2.524 1.00 1.00 H new ATOM 118 N GLU A 58 -0.715 -9.678 2.185 1.00 1.00 N ATOM 119 CA GLU A 58 0.057 -10.950 1.957 1.00 1.00 C ATOM 120 C GLU A 58 -0.519 -12.117 2.756 1.00 1.00 C ATOM 121 O GLU A 58 -0.322 -13.266 2.405 1.00 1.00 O ATOM 122 CB GLU A 58 1.526 -10.706 2.375 1.00 1.00 C ATOM 123 CG GLU A 58 2.403 -10.202 1.200 1.00 1.00 C ATOM 124 CD GLU A 58 3.040 -11.373 0.407 1.00 1.00 C ATOM 125 OE1 GLU A 58 2.413 -12.414 0.299 1.00 1.00 O ATOM 126 OE2 GLU A 58 4.146 -11.146 -0.056 1.00 1.00 O ATOM 0 H GLU A 58 -0.166 -8.892 2.533 1.00 1.00 H new ATOM 0 HA GLU A 58 -0.010 -11.216 0.902 1.00 1.00 H new ATOM 0 HB2 GLU A 58 1.553 -9.976 3.184 1.00 1.00 H new ATOM 0 HB3 GLU A 58 1.947 -11.632 2.767 1.00 1.00 H new ATOM 0 HG2 GLU A 58 1.795 -9.597 0.527 1.00 1.00 H new ATOM 0 HG3 GLU A 58 3.191 -9.555 1.587 1.00 1.00 H new ATOM 133 N ALA A 59 -1.224 -11.826 3.808 1.00 1.00 N ATOM 134 CA ALA A 59 -1.802 -12.942 4.618 1.00 1.00 C ATOM 135 C ALA A 59 -3.109 -13.417 3.987 1.00 1.00 C ATOM 136 O ALA A 59 -3.616 -14.472 4.304 1.00 1.00 O ATOM 137 CB ALA A 59 -2.032 -12.422 6.048 1.00 1.00 C ATOM 0 H ALA A 59 -1.426 -10.884 4.143 1.00 1.00 H new ATOM 0 HA ALA A 59 -1.121 -13.793 4.646 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -2.454 -13.218 6.661 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -1.082 -12.100 6.475 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -2.723 -11.579 6.022 1.00 1.00 H new ATOM 143 N ILE A 60 -3.621 -12.615 3.102 1.00 1.00 N ATOM 144 CA ILE A 60 -4.896 -12.967 2.412 1.00 1.00 C ATOM 145 C ILE A 60 -4.512 -13.746 1.151 1.00 1.00 C ATOM 146 O ILE A 60 -4.955 -14.857 0.917 1.00 1.00 O ATOM 147 CB ILE A 60 -5.649 -11.639 2.061 1.00 1.00 C ATOM 148 CG1 ILE A 60 -5.566 -10.676 3.285 1.00 1.00 C ATOM 149 CG2 ILE A 60 -7.129 -11.970 1.764 1.00 1.00 C ATOM 150 CD1 ILE A 60 -6.198 -9.311 2.989 1.00 1.00 C ATOM 0 H ILE A 60 -3.211 -11.724 2.822 1.00 1.00 H new ATOM 0 HA ILE A 60 -5.556 -13.575 3.031 1.00 1.00 H new ATOM 0 HB ILE A 60 -5.197 -11.165 1.190 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -6.069 -11.131 4.138 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -4.522 -10.538 3.567 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -7.665 -11.053 1.518 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -7.186 -12.660 0.922 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -7.582 -12.430 2.642 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -6.117 -8.674 3.870 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -5.678 -8.843 2.153 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -7.249 -9.444 2.733 1.00 1.00 H new ATOM 162 N ILE A 61 -3.662 -13.123 0.373 1.00 1.00 N ATOM 163 CA ILE A 61 -3.204 -13.752 -0.892 1.00 1.00 C ATOM 164 C ILE A 61 -2.622 -15.133 -0.586 1.00 1.00 C ATOM 165 O ILE A 61 -2.917 -16.074 -1.299 1.00 1.00 O ATOM 166 CB ILE A 61 -2.194 -12.747 -1.542 1.00 1.00 C ATOM 167 CG1 ILE A 61 -0.878 -12.708 -0.834 1.00 1.00 C ATOM 168 CG2 ILE A 61 -2.826 -11.336 -1.678 1.00 1.00 C ATOM 169 CD1 ILE A 61 -0.021 -13.832 -1.435 1.00 1.00 C ATOM 0 H ILE A 61 -3.267 -12.202 0.565 1.00 1.00 H new ATOM 0 HA ILE A 61 -4.008 -13.934 -1.606 1.00 1.00 H new ATOM 0 HB ILE A 61 -1.979 -13.115 -2.545 1.00 1.00 H new ATOM 0 HG12 ILE A 61 -0.395 -11.740 -0.967 1.00 1.00 H new ATOM 0 HG13 ILE A 61 -1.011 -12.853 0.238 1.00 1.00 H new ATOM 0 HG21 ILE A 61 -2.105 -10.656 -2.132 1.00 1.00 H new ATOM 0 HG22 ILE A 61 -3.715 -11.394 -2.306 1.00 1.00 H new ATOM 0 HG23 ILE A 61 -3.103 -10.965 -0.691 1.00 1.00 H new ATOM 0 HD11 ILE A 61 0.955 -13.845 -0.949 1.00 1.00 H new ATOM 0 HD12 ILE A 61 -0.517 -14.790 -1.280 1.00 1.00 H new ATOM 0 HD13 ILE A 61 0.108 -13.659 -2.503 1.00 1.00 H new ATOM 181 N ARG A 62 -1.825 -15.243 0.456 1.00 1.00 N ATOM 182 CA ARG A 62 -1.250 -16.594 0.763 1.00 1.00 C ATOM 183 C ARG A 62 -2.299 -17.693 0.972 1.00 1.00 C ATOM 184 O ARG A 62 -1.966 -18.854 0.859 1.00 1.00 O ATOM 185 CB ARG A 62 -0.374 -16.488 2.004 1.00 1.00 C ATOM 186 CG ARG A 62 0.979 -15.900 1.555 1.00 1.00 C ATOM 187 CD ARG A 62 1.955 -15.978 2.707 1.00 1.00 C ATOM 188 NE ARG A 62 1.463 -15.115 3.821 1.00 1.00 N ATOM 189 CZ ARG A 62 1.821 -15.375 5.050 1.00 1.00 C ATOM 190 NH1 ARG A 62 3.087 -15.542 5.310 1.00 1.00 N ATOM 191 NH2 ARG A 62 0.907 -15.461 5.975 1.00 1.00 N ATOM 0 H ARG A 62 -1.556 -14.486 1.085 1.00 1.00 H new ATOM 0 HA ARG A 62 -0.673 -16.891 -0.113 1.00 1.00 H new ATOM 0 HB2 ARG A 62 -0.842 -15.849 2.753 1.00 1.00 H new ATOM 0 HB3 ARG A 62 -0.235 -17.467 2.462 1.00 1.00 H new ATOM 0 HG2 ARG A 62 1.364 -16.452 0.697 1.00 1.00 H new ATOM 0 HG3 ARG A 62 0.853 -14.865 1.237 1.00 1.00 H new ATOM 0 HD2 ARG A 62 2.056 -17.009 3.046 1.00 1.00 H new ATOM 0 HD3 ARG A 62 2.944 -15.650 2.386 1.00 1.00 H new ATOM 0 HE ARG A 62 0.849 -14.325 3.623 1.00 1.00 H new ATOM 0 HH11 ARG A 62 3.775 -15.469 4.561 1.00 1.00 H new ATOM 0 HH12 ARG A 62 3.389 -15.746 6.263 1.00 1.00 H new ATOM 0 HH21 ARG A 62 -0.075 -15.326 5.736 1.00 1.00 H new ATOM 0 HH22 ARG A 62 1.174 -15.664 6.938 1.00 1.00 H new ATOM 205 N ILE A 63 -3.520 -17.333 1.278 1.00 1.00 N ATOM 206 CA ILE A 63 -4.572 -18.372 1.485 1.00 1.00 C ATOM 207 C ILE A 63 -5.657 -18.312 0.384 1.00 1.00 C ATOM 208 O ILE A 63 -6.358 -19.269 0.126 1.00 1.00 O ATOM 209 CB ILE A 63 -5.122 -18.114 2.918 1.00 1.00 C ATOM 210 CG1 ILE A 63 -4.052 -18.580 3.959 1.00 1.00 C ATOM 211 CG2 ILE A 63 -6.417 -18.862 3.165 1.00 1.00 C ATOM 212 CD1 ILE A 63 -3.135 -17.421 4.388 1.00 1.00 C ATOM 0 H ILE A 63 -3.832 -16.369 1.393 1.00 1.00 H new ATOM 0 HA ILE A 63 -4.178 -19.385 1.406 1.00 1.00 H new ATOM 0 HB ILE A 63 -5.326 -17.048 3.021 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -4.552 -18.992 4.835 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -3.450 -19.381 3.529 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -6.769 -18.656 4.176 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -7.168 -18.536 2.446 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -6.246 -19.933 3.051 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -2.405 -17.783 5.112 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -2.615 -17.026 3.515 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -3.734 -16.632 4.842 1.00 1.00 H new ATOM 224 N LEU A 64 -5.726 -17.172 -0.238 1.00 1.00 N ATOM 225 CA LEU A 64 -6.695 -16.863 -1.329 1.00 1.00 C ATOM 226 C LEU A 64 -6.570 -17.898 -2.448 1.00 1.00 C ATOM 227 O LEU A 64 -7.116 -18.986 -2.410 1.00 1.00 O ATOM 228 CB LEU A 64 -6.352 -15.406 -1.775 1.00 1.00 C ATOM 229 CG LEU A 64 -7.228 -14.882 -2.932 1.00 1.00 C ATOM 230 CD1 LEU A 64 -8.661 -14.590 -2.437 1.00 1.00 C ATOM 231 CD2 LEU A 64 -6.605 -13.598 -3.512 1.00 1.00 C ATOM 0 H LEU A 64 -5.108 -16.390 -0.019 1.00 1.00 H new ATOM 0 HA LEU A 64 -7.738 -16.917 -1.016 1.00 1.00 H new ATOM 0 HB2 LEU A 64 -6.461 -14.740 -0.919 1.00 1.00 H new ATOM 0 HB3 LEU A 64 -5.306 -15.366 -2.078 1.00 1.00 H new ATOM 0 HG LEU A 64 -7.277 -15.646 -3.708 1.00 1.00 H new ATOM 0 HD11 LEU A 64 -9.264 -14.221 -3.266 1.00 1.00 H new ATOM 0 HD12 LEU A 64 -9.104 -15.505 -2.045 1.00 1.00 H new ATOM 0 HD13 LEU A 64 -8.628 -13.837 -1.650 1.00 1.00 H new ATOM 0 HD21 LEU A 64 -7.225 -13.230 -4.329 1.00 1.00 H new ATOM 0 HD22 LEU A 64 -6.544 -12.839 -2.732 1.00 1.00 H new ATOM 0 HD23 LEU A 64 -5.604 -13.816 -3.886 1.00 1.00 H new ATOM 243 N GLN A 65 -5.825 -17.541 -3.450 1.00 1.00 N ATOM 244 CA GLN A 65 -5.643 -18.473 -4.579 1.00 1.00 C ATOM 245 C GLN A 65 -4.805 -19.666 -4.172 1.00 1.00 C ATOM 246 O GLN A 65 -4.517 -20.496 -5.008 1.00 1.00 O ATOM 247 CB GLN A 65 -4.948 -17.744 -5.740 1.00 1.00 C ATOM 248 CG GLN A 65 -3.672 -17.052 -5.196 1.00 1.00 C ATOM 249 CD GLN A 65 -2.721 -16.759 -6.340 1.00 1.00 C ATOM 250 OE1 GLN A 65 -2.964 -15.904 -7.161 1.00 1.00 O ATOM 251 NE2 GLN A 65 -1.622 -17.443 -6.442 1.00 1.00 N ATOM 0 H GLN A 65 -5.338 -16.648 -3.533 1.00 1.00 H new ATOM 0 HA GLN A 65 -6.626 -18.827 -4.890 1.00 1.00 H new ATOM 0 HB2 GLN A 65 -4.688 -18.450 -6.529 1.00 1.00 H new ATOM 0 HB3 GLN A 65 -5.620 -17.007 -6.180 1.00 1.00 H new ATOM 0 HG2 GLN A 65 -3.938 -16.126 -4.686 1.00 1.00 H new ATOM 0 HG3 GLN A 65 -3.185 -17.692 -4.461 1.00 1.00 H new ATOM 0 HE21 GLN A 65 -1.406 -18.166 -5.756 1.00 1.00 H new ATOM 0 HE22 GLN A 65 -0.975 -17.257 -7.208 1.00 1.00 H new ATOM 260 N GLN A 66 -4.435 -19.761 -2.924 1.00 1.00 N ATOM 261 CA GLN A 66 -3.599 -20.939 -2.557 1.00 1.00 C ATOM 262 C GLN A 66 -4.514 -22.136 -2.435 1.00 1.00 C ATOM 263 O GLN A 66 -4.149 -23.248 -2.762 1.00 1.00 O ATOM 264 CB GLN A 66 -2.904 -20.653 -1.216 1.00 1.00 C ATOM 265 CG GLN A 66 -1.479 -21.261 -1.168 1.00 1.00 C ATOM 266 CD GLN A 66 -0.457 -20.240 -1.692 1.00 1.00 C ATOM 267 OE1 GLN A 66 -0.788 -19.382 -2.610 1.00 1.00 O flip ATOM 268 NE2 GLN A 66 0.675 -20.199 -1.267 1.00 1.00 N flip ATOM 0 H GLN A 66 -4.661 -19.108 -2.174 1.00 1.00 H new ATOM 0 HA GLN A 66 -2.837 -21.136 -3.311 1.00 1.00 H new ATOM 0 HB2 GLN A 66 -2.846 -19.576 -1.059 1.00 1.00 H new ATOM 0 HB3 GLN A 66 -3.502 -21.062 -0.402 1.00 1.00 H new ATOM 0 HG2 GLN A 66 -1.230 -21.546 -0.146 1.00 1.00 H new ATOM 0 HG3 GLN A 66 -1.441 -22.169 -1.770 1.00 1.00 H new ATOM 0 HE21 GLN A 66 0.973 -20.856 -0.546 1.00 1.00 H new ATOM 0 HE22 GLN A 66 1.331 -19.508 -1.630 1.00 1.00 H new ATOM 277 N LEU A 67 -5.700 -21.853 -1.982 1.00 1.00 N ATOM 278 CA LEU A 67 -6.698 -22.936 -1.802 1.00 1.00 C ATOM 279 C LEU A 67 -7.437 -23.123 -3.096 1.00 1.00 C ATOM 280 O LEU A 67 -7.848 -24.207 -3.456 1.00 1.00 O ATOM 281 CB LEU A 67 -7.628 -22.518 -0.671 1.00 1.00 C ATOM 282 CG LEU A 67 -6.808 -22.281 0.621 1.00 1.00 C ATOM 283 CD1 LEU A 67 -7.783 -21.840 1.723 1.00 1.00 C ATOM 284 CD2 LEU A 67 -6.083 -23.572 1.077 1.00 1.00 C ATOM 0 H LEU A 67 -6.021 -20.918 -1.729 1.00 1.00 H new ATOM 0 HA LEU A 67 -6.233 -23.887 -1.542 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -8.163 -21.609 -0.945 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -8.378 -23.290 -0.500 1.00 1.00 H new ATOM 0 HG LEU A 67 -6.051 -21.521 0.428 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -7.232 -21.665 2.647 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -8.283 -20.921 1.419 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -8.526 -22.621 1.885 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -5.517 -23.370 1.986 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -6.818 -24.352 1.273 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -5.403 -23.904 0.293 1.00 1.00 H new