USER MOD reduce.3.24.130724 H: found=0, std=0, add=132, rem=0, adj=3 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= 0.0397 USER MOD Single : A 65 GLN :FLIP amide:sc= -3.86! C(o=-5.5!,f=-3.9!) USER MOD Single : A 66 GLN :FLIP amide:sc= -0.651 F(o=-1.3,f=-0.65) USER MOD ----------------------------------------------------------------- ATOM 35 N ASP A 52 3.261 -0.551 3.926 1.00 1.00 N ATOM 36 CA ASP A 52 3.605 -1.774 4.731 1.00 1.00 C ATOM 37 C ASP A 52 2.347 -2.585 5.075 1.00 1.00 C ATOM 38 O ASP A 52 2.420 -3.737 5.458 1.00 1.00 O ATOM 39 CB ASP A 52 4.280 -1.343 6.041 1.00 1.00 C ATOM 40 CG ASP A 52 3.218 -0.665 6.944 1.00 1.00 C ATOM 41 OD1 ASP A 52 2.700 0.353 6.500 1.00 1.00 O ATOM 42 OD2 ASP A 52 2.983 -1.204 8.012 1.00 1.00 O ATOM 0 HA ASP A 52 4.273 -2.396 4.135 1.00 1.00 H new ATOM 0 HB2 ASP A 52 4.711 -2.207 6.547 1.00 1.00 H new ATOM 0 HB3 ASP A 52 5.098 -0.653 5.836 1.00 1.00 H new ATOM 47 N THR A 53 1.209 -1.968 4.912 1.00 1.00 N ATOM 48 CA THR A 53 -0.097 -2.609 5.214 1.00 1.00 C ATOM 49 C THR A 53 -0.287 -3.817 4.352 1.00 1.00 C ATOM 50 O THR A 53 -1.048 -4.726 4.630 1.00 1.00 O ATOM 51 CB THR A 53 -1.179 -1.532 4.980 1.00 1.00 C ATOM 52 OG1 THR A 53 -0.632 -0.365 5.598 1.00 1.00 O ATOM 53 CG2 THR A 53 -2.464 -1.831 5.773 1.00 1.00 C ATOM 0 H THR A 53 1.132 -1.011 4.569 1.00 1.00 H new ATOM 0 HA THR A 53 -0.154 -2.964 6.243 1.00 1.00 H new ATOM 0 HB THR A 53 -1.419 -1.460 3.919 1.00 1.00 H new ATOM 0 HG1 THR A 53 -1.258 0.382 5.497 1.00 1.00 H new ATOM 0 HG21 THR A 53 -3.200 -1.050 5.581 1.00 1.00 H new ATOM 0 HG22 THR A 53 -2.868 -2.795 5.462 1.00 1.00 H new ATOM 0 HG23 THR A 53 -2.236 -1.860 6.838 1.00 1.00 H new ATOM 61 N TRP A 54 0.467 -3.760 3.307 1.00 1.00 N ATOM 62 CA TRP A 54 0.420 -4.857 2.339 1.00 1.00 C ATOM 63 C TRP A 54 0.824 -6.183 2.984 1.00 1.00 C ATOM 64 O TRP A 54 0.478 -7.240 2.490 1.00 1.00 O ATOM 65 CB TRP A 54 1.342 -4.494 1.170 1.00 1.00 C ATOM 66 CG TRP A 54 0.713 -3.270 0.506 1.00 1.00 C ATOM 67 CD1 TRP A 54 1.055 -1.954 0.658 1.00 1.00 C ATOM 68 CD2 TRP A 54 -0.339 -3.269 -0.370 1.00 1.00 C ATOM 69 NE1 TRP A 54 0.291 -1.169 -0.059 1.00 1.00 N ATOM 70 CE2 TRP A 54 -0.563 -1.933 -0.693 1.00 1.00 C ATOM 71 CE3 TRP A 54 -1.127 -4.271 -0.921 1.00 1.00 C ATOM 72 CZ2 TRP A 54 -1.589 -1.605 -1.578 1.00 1.00 C ATOM 73 CZ3 TRP A 54 -2.150 -3.943 -1.803 1.00 1.00 C ATOM 74 CH2 TRP A 54 -2.383 -2.610 -2.134 1.00 1.00 C ATOM 0 H TRP A 54 1.111 -3.001 3.085 1.00 1.00 H new ATOM 0 HA TRP A 54 -0.599 -4.992 1.976 1.00 1.00 H new ATOM 0 HB2 TRP A 54 2.350 -4.273 1.521 1.00 1.00 H new ATOM 0 HB3 TRP A 54 1.424 -5.322 0.466 1.00 1.00 H new ATOM 0 HD1 TRP A 54 1.857 -1.605 1.292 1.00 1.00 H new ATOM 0 HE1 TRP A 54 0.350 -0.152 -0.114 1.00 1.00 H new ATOM 0 HE3 TRP A 54 -0.945 -5.304 -0.664 1.00 1.00 H new ATOM 0 HZ2 TRP A 54 -1.770 -0.572 -1.834 1.00 1.00 H new ATOM 0 HZ3 TRP A 54 -2.764 -4.721 -2.232 1.00 1.00 H new ATOM 0 HH2 TRP A 54 -3.177 -2.354 -2.820 1.00 1.00 H new ATOM 85 N ALA A 55 1.542 -6.098 4.075 1.00 1.00 N ATOM 86 CA ALA A 55 1.963 -7.361 4.761 1.00 1.00 C ATOM 87 C ALA A 55 0.697 -8.106 5.220 1.00 1.00 C ATOM 88 O ALA A 55 0.664 -9.317 5.330 1.00 1.00 O ATOM 89 CB ALA A 55 2.839 -6.999 5.966 1.00 1.00 C ATOM 0 H ALA A 55 1.850 -5.231 4.514 1.00 1.00 H new ATOM 0 HA ALA A 55 2.535 -8.000 4.088 1.00 1.00 H new ATOM 0 HB1 ALA A 55 3.153 -7.911 6.475 1.00 1.00 H new ATOM 0 HB2 ALA A 55 3.719 -6.453 5.625 1.00 1.00 H new ATOM 0 HB3 ALA A 55 2.270 -6.376 6.656 1.00 1.00 H new ATOM 95 N GLY A 56 -0.328 -7.333 5.466 1.00 1.00 N ATOM 96 CA GLY A 56 -1.618 -7.918 5.918 1.00 1.00 C ATOM 97 C GLY A 56 -2.202 -8.562 4.681 1.00 1.00 C ATOM 98 O GLY A 56 -2.581 -9.714 4.699 1.00 1.00 O ATOM 0 H GLY A 56 -0.324 -6.317 5.372 1.00 1.00 H new ATOM 0 HA2 GLY A 56 -1.465 -8.650 6.711 1.00 1.00 H new ATOM 0 HA3 GLY A 56 -2.282 -7.151 6.317 1.00 1.00 H new ATOM 102 N VAL A 57 -2.246 -7.799 3.623 1.00 1.00 N ATOM 103 CA VAL A 57 -2.797 -8.309 2.338 1.00 1.00 C ATOM 104 C VAL A 57 -2.148 -9.662 1.989 1.00 1.00 C ATOM 105 O VAL A 57 -2.813 -10.623 1.638 1.00 1.00 O ATOM 106 CB VAL A 57 -2.507 -7.217 1.289 1.00 1.00 C ATOM 107 CG1 VAL A 57 -2.935 -7.698 -0.103 1.00 1.00 C ATOM 108 CG2 VAL A 57 -3.306 -5.935 1.641 1.00 1.00 C ATOM 0 H VAL A 57 -1.920 -6.833 3.595 1.00 1.00 H new ATOM 0 HA VAL A 57 -3.869 -8.498 2.386 1.00 1.00 H new ATOM 0 HB VAL A 57 -1.438 -7.004 1.289 1.00 1.00 H new ATOM 0 HG11 VAL A 57 -2.726 -6.920 -0.837 1.00 1.00 H new ATOM 0 HG12 VAL A 57 -2.381 -8.600 -0.363 1.00 1.00 H new ATOM 0 HG13 VAL A 57 -4.003 -7.917 -0.100 1.00 1.00 H new ATOM 0 HG21 VAL A 57 -3.101 -5.163 0.899 1.00 1.00 H new ATOM 0 HG22 VAL A 57 -4.372 -6.160 1.645 1.00 1.00 H new ATOM 0 HG23 VAL A 57 -3.007 -5.579 2.627 1.00 1.00 H new ATOM 118 N GLU A 58 -0.850 -9.693 2.103 1.00 1.00 N ATOM 119 CA GLU A 58 -0.095 -10.947 1.798 1.00 1.00 C ATOM 120 C GLU A 58 -0.588 -12.121 2.635 1.00 1.00 C ATOM 121 O GLU A 58 -0.506 -13.257 2.215 1.00 1.00 O ATOM 122 CB GLU A 58 1.402 -10.708 2.085 1.00 1.00 C ATOM 123 CG GLU A 58 2.120 -10.000 0.905 1.00 1.00 C ATOM 124 CD GLU A 58 2.425 -10.959 -0.278 1.00 1.00 C ATOM 125 OE1 GLU A 58 2.169 -12.148 -0.161 1.00 1.00 O ATOM 126 OE2 GLU A 58 2.914 -10.428 -1.263 1.00 1.00 O ATOM 0 H GLU A 58 -0.275 -8.903 2.395 1.00 1.00 H new ATOM 0 HA GLU A 58 -0.253 -11.196 0.749 1.00 1.00 H new ATOM 0 HB2 GLU A 58 1.505 -10.104 2.986 1.00 1.00 H new ATOM 0 HB3 GLU A 58 1.889 -11.663 2.284 1.00 1.00 H new ATOM 0 HG2 GLU A 58 1.499 -9.178 0.549 1.00 1.00 H new ATOM 0 HG3 GLU A 58 3.053 -9.564 1.263 1.00 1.00 H new ATOM 133 N ALA A 59 -1.108 -11.837 3.792 1.00 1.00 N ATOM 134 CA ALA A 59 -1.596 -12.959 4.653 1.00 1.00 C ATOM 135 C ALA A 59 -2.909 -13.513 4.109 1.00 1.00 C ATOM 136 O ALA A 59 -3.317 -14.613 4.421 1.00 1.00 O ATOM 137 CB ALA A 59 -1.789 -12.428 6.078 1.00 1.00 C ATOM 0 H ALA A 59 -1.218 -10.899 4.178 1.00 1.00 H new ATOM 0 HA ALA A 59 -0.866 -13.769 4.656 1.00 1.00 H new ATOM 0 HB1 ALA A 59 -2.145 -13.233 6.721 1.00 1.00 H new ATOM 0 HB2 ALA A 59 -0.839 -12.053 6.458 1.00 1.00 H new ATOM 0 HB3 ALA A 59 -2.521 -11.620 6.069 1.00 1.00 H new ATOM 143 N ILE A 60 -3.529 -12.715 3.294 1.00 1.00 N ATOM 144 CA ILE A 60 -4.826 -13.109 2.682 1.00 1.00 C ATOM 145 C ILE A 60 -4.515 -13.863 1.395 1.00 1.00 C ATOM 146 O ILE A 60 -4.962 -14.980 1.196 1.00 1.00 O ATOM 147 CB ILE A 60 -5.641 -11.806 2.409 1.00 1.00 C ATOM 148 CG1 ILE A 60 -5.479 -10.843 3.628 1.00 1.00 C ATOM 149 CG2 ILE A 60 -7.136 -12.161 2.231 1.00 1.00 C ATOM 150 CD1 ILE A 60 -6.148 -9.499 3.378 1.00 1.00 C ATOM 0 H ILE A 60 -3.189 -11.793 3.021 1.00 1.00 H new ATOM 0 HA ILE A 60 -5.417 -13.755 3.331 1.00 1.00 H new ATOM 0 HB ILE A 60 -5.274 -11.323 1.503 1.00 1.00 H new ATOM 0 HG12 ILE A 60 -5.911 -11.305 4.516 1.00 1.00 H new ATOM 0 HG13 ILE A 60 -4.419 -10.689 3.832 1.00 1.00 H new ATOM 0 HG21 ILE A 60 -7.706 -11.252 2.040 1.00 1.00 H new ATOM 0 HG22 ILE A 60 -7.250 -12.844 1.389 1.00 1.00 H new ATOM 0 HG23 ILE A 60 -7.507 -12.638 3.138 1.00 1.00 H new ATOM 0 HD11 ILE A 60 -6.013 -8.858 4.249 1.00 1.00 H new ATOM 0 HD12 ILE A 60 -5.698 -9.025 2.505 1.00 1.00 H new ATOM 0 HD13 ILE A 60 -7.213 -9.650 3.200 1.00 1.00 H new ATOM 162 N ILE A 61 -3.734 -13.230 0.557 1.00 1.00 N ATOM 163 CA ILE A 61 -3.371 -13.863 -0.732 1.00 1.00 C ATOM 164 C ILE A 61 -2.714 -15.211 -0.423 1.00 1.00 C ATOM 165 O ILE A 61 -2.954 -16.179 -1.122 1.00 1.00 O ATOM 166 CB ILE A 61 -2.456 -12.843 -1.502 1.00 1.00 C ATOM 167 CG1 ILE A 61 -1.070 -12.767 -0.946 1.00 1.00 C ATOM 168 CG2 ILE A 61 -3.117 -11.440 -1.563 1.00 1.00 C ATOM 169 CD1 ILE A 61 -0.254 -13.888 -1.585 1.00 1.00 C ATOM 0 H ILE A 61 -3.336 -12.304 0.715 1.00 1.00 H new ATOM 0 HA ILE A 61 -4.221 -14.080 -1.378 1.00 1.00 H new ATOM 0 HB ILE A 61 -2.356 -13.221 -2.519 1.00 1.00 H new ATOM 0 HG12 ILE A 61 -0.623 -11.797 -1.163 1.00 1.00 H new ATOM 0 HG13 ILE A 61 -1.086 -12.875 0.138 1.00 1.00 H new ATOM 0 HG21 ILE A 61 -2.464 -10.753 -2.101 1.00 1.00 H new ATOM 0 HG22 ILE A 61 -4.074 -11.511 -2.080 1.00 1.00 H new ATOM 0 HG23 ILE A 61 -3.278 -11.070 -0.551 1.00 1.00 H new ATOM 0 HD11 ILE A 61 0.765 -13.861 -1.200 1.00 1.00 H new ATOM 0 HD12 ILE A 61 -0.707 -14.850 -1.345 1.00 1.00 H new ATOM 0 HD13 ILE A 61 -0.237 -13.755 -2.667 1.00 1.00 H new ATOM 181 N ARG A 62 -1.907 -15.245 0.615 1.00 1.00 N ATOM 182 CA ARG A 62 -1.234 -16.528 0.982 1.00 1.00 C ATOM 183 C ARG A 62 -2.213 -17.707 1.030 1.00 1.00 C ATOM 184 O ARG A 62 -1.794 -18.823 0.794 1.00 1.00 O ATOM 185 CB ARG A 62 -0.539 -16.349 2.362 1.00 1.00 C ATOM 186 CG ARG A 62 0.909 -15.815 2.180 1.00 1.00 C ATOM 187 CD ARG A 62 1.927 -16.979 2.012 1.00 1.00 C ATOM 188 NE ARG A 62 1.557 -17.841 0.844 1.00 1.00 N ATOM 189 CZ ARG A 62 1.471 -19.139 0.980 1.00 1.00 C ATOM 190 NH1 ARG A 62 0.716 -19.628 1.918 1.00 1.00 N ATOM 191 NH2 ARG A 62 2.142 -19.910 0.173 1.00 1.00 N ATOM 0 H ARG A 62 -1.690 -14.449 1.215 1.00 1.00 H new ATOM 0 HA ARG A 62 -0.499 -16.762 0.212 1.00 1.00 H new ATOM 0 HB2 ARG A 62 -1.113 -15.656 2.977 1.00 1.00 H new ATOM 0 HB3 ARG A 62 -0.517 -17.302 2.891 1.00 1.00 H new ATOM 0 HG2 ARG A 62 0.951 -15.164 1.307 1.00 1.00 H new ATOM 0 HG3 ARG A 62 1.186 -15.209 3.043 1.00 1.00 H new ATOM 0 HD2 ARG A 62 2.929 -16.575 1.869 1.00 1.00 H new ATOM 0 HD3 ARG A 62 1.953 -17.580 2.921 1.00 1.00 H new ATOM 0 HE ARG A 62 1.371 -17.413 -0.063 1.00 1.00 H new ATOM 0 HH11 ARG A 62 0.200 -19.002 2.536 1.00 1.00 H new ATOM 0 HH12 ARG A 62 0.639 -20.638 2.036 1.00 1.00 H new ATOM 0 HH21 ARG A 62 2.727 -19.500 -0.555 1.00 1.00 H new ATOM 0 HH22 ARG A 62 2.083 -20.924 0.269 1.00 1.00 H new ATOM 205 N ILE A 63 -3.466 -17.455 1.330 1.00 1.00 N ATOM 206 CA ILE A 63 -4.455 -18.566 1.387 1.00 1.00 C ATOM 207 C ILE A 63 -5.556 -18.466 0.294 1.00 1.00 C ATOM 208 O ILE A 63 -6.015 -19.462 -0.231 1.00 1.00 O ATOM 209 CB ILE A 63 -5.032 -18.526 2.817 1.00 1.00 C ATOM 210 CG1 ILE A 63 -3.910 -18.864 3.850 1.00 1.00 C ATOM 211 CG2 ILE A 63 -6.161 -19.524 2.960 1.00 1.00 C ATOM 212 CD1 ILE A 63 -3.230 -17.581 4.370 1.00 1.00 C ATOM 0 H ILE A 63 -3.840 -16.529 1.536 1.00 1.00 H new ATOM 0 HA ILE A 63 -3.977 -19.522 1.175 1.00 1.00 H new ATOM 0 HB ILE A 63 -5.417 -17.524 3.007 1.00 1.00 H new ATOM 0 HG12 ILE A 63 -4.336 -19.418 4.686 1.00 1.00 H new ATOM 0 HG13 ILE A 63 -3.166 -19.511 3.385 1.00 1.00 H new ATOM 0 HG21 ILE A 63 -6.557 -19.483 3.975 1.00 1.00 H new ATOM 0 HG22 ILE A 63 -6.953 -19.281 2.252 1.00 1.00 H new ATOM 0 HG23 ILE A 63 -5.787 -20.528 2.757 1.00 1.00 H new ATOM 0 HD11 ILE A 63 -2.453 -17.846 5.087 1.00 1.00 H new ATOM 0 HD12 ILE A 63 -2.784 -17.042 3.535 1.00 1.00 H new ATOM 0 HD13 ILE A 63 -3.972 -16.947 4.856 1.00 1.00 H new ATOM 224 N LEU A 64 -5.907 -17.245 -0.005 1.00 1.00 N ATOM 225 CA LEU A 64 -6.948 -16.838 -1.003 1.00 1.00 C ATOM 226 C LEU A 64 -6.920 -17.734 -2.228 1.00 1.00 C ATOM 227 O LEU A 64 -7.594 -18.742 -2.274 1.00 1.00 O ATOM 228 CB LEU A 64 -6.669 -15.353 -1.359 1.00 1.00 C ATOM 229 CG LEU A 64 -7.686 -14.773 -2.369 1.00 1.00 C ATOM 230 CD1 LEU A 64 -9.078 -14.619 -1.713 1.00 1.00 C ATOM 231 CD2 LEU A 64 -7.193 -13.405 -2.854 1.00 1.00 C ATOM 0 H LEU A 64 -5.472 -16.440 0.446 1.00 1.00 H new ATOM 0 HA LEU A 64 -7.950 -16.944 -0.587 1.00 1.00 H new ATOM 0 HB2 LEU A 64 -6.690 -14.756 -0.447 1.00 1.00 H new ATOM 0 HB3 LEU A 64 -5.664 -15.267 -1.773 1.00 1.00 H new ATOM 0 HG LEU A 64 -7.774 -15.457 -3.213 1.00 1.00 H new ATOM 0 HD11 LEU A 64 -9.779 -14.209 -2.440 1.00 1.00 H new ATOM 0 HD12 LEU A 64 -9.432 -15.594 -1.377 1.00 1.00 H new ATOM 0 HD13 LEU A 64 -9.005 -13.945 -0.859 1.00 1.00 H new ATOM 0 HD21 LEU A 64 -7.907 -12.992 -3.566 1.00 1.00 H new ATOM 0 HD22 LEU A 64 -7.098 -12.730 -2.003 1.00 1.00 H new ATOM 0 HD23 LEU A 64 -6.223 -13.518 -3.337 1.00 1.00 H new ATOM 243 N GLN A 65 -6.142 -17.375 -3.213 1.00 1.00 N ATOM 244 CA GLN A 65 -6.121 -18.259 -4.397 1.00 1.00 C ATOM 245 C GLN A 65 -5.245 -19.454 -4.081 1.00 1.00 C ATOM 246 O GLN A 65 -4.979 -20.255 -4.954 1.00 1.00 O ATOM 247 CB GLN A 65 -5.569 -17.492 -5.633 1.00 1.00 C ATOM 248 CG GLN A 65 -4.138 -16.920 -5.437 1.00 1.00 C ATOM 249 CD GLN A 65 -4.198 -15.626 -4.630 1.00 1.00 C ATOM 250 OE1 GLN A 65 -3.652 -15.555 -3.460 1.00 1.00 O flip ATOM 251 NE2 GLN A 65 -4.753 -14.637 -5.054 1.00 1.00 N flip ATOM 0 H GLN A 65 -5.548 -16.546 -3.247 1.00 1.00 H new ATOM 0 HA GLN A 65 -7.132 -18.592 -4.634 1.00 1.00 H new ATOM 0 HB2 GLN A 65 -5.566 -18.163 -6.492 1.00 1.00 H new ATOM 0 HB3 GLN A 65 -6.247 -16.672 -5.871 1.00 1.00 H new ATOM 0 HG2 GLN A 65 -3.513 -17.650 -4.923 1.00 1.00 H new ATOM 0 HG3 GLN A 65 -3.677 -16.732 -6.407 1.00 1.00 H new ATOM 0 HE21 GLN A 65 -5.195 -14.655 -5.973 1.00 1.00 H new ATOM 0 HE22 GLN A 65 -4.778 -13.786 -4.492 1.00 1.00 H new ATOM 260 N GLN A 66 -4.824 -19.571 -2.846 1.00 1.00 N ATOM 261 CA GLN A 66 -3.960 -20.738 -2.525 1.00 1.00 C ATOM 262 C GLN A 66 -4.867 -21.970 -2.462 1.00 1.00 C ATOM 263 O GLN A 66 -4.492 -23.046 -2.888 1.00 1.00 O ATOM 264 CB GLN A 66 -3.282 -20.502 -1.168 1.00 1.00 C ATOM 265 CG GLN A 66 -1.968 -21.302 -1.067 1.00 1.00 C ATOM 266 CD GLN A 66 -0.897 -20.613 -1.918 1.00 1.00 C ATOM 267 OE1 GLN A 66 -0.228 -19.629 -1.395 1.00 1.00 O flip ATOM 268 NE2 GLN A 66 -0.661 -20.960 -3.056 1.00 1.00 N flip ATOM 0 H GLN A 66 -5.032 -18.935 -2.076 1.00 1.00 H new ATOM 0 HA GLN A 66 -3.184 -20.880 -3.277 1.00 1.00 H new ATOM 0 HB2 GLN A 66 -3.077 -19.439 -1.039 1.00 1.00 H new ATOM 0 HB3 GLN A 66 -3.956 -20.797 -0.363 1.00 1.00 H new ATOM 0 HG2 GLN A 66 -1.643 -21.362 -0.028 1.00 1.00 H new ATOM 0 HG3 GLN A 66 -2.122 -22.324 -1.412 1.00 1.00 H new ATOM 0 HE21 GLN A 66 -1.182 -21.731 -3.472 1.00 1.00 H new ATOM 0 HE22 GLN A 66 0.059 -20.480 -3.597 1.00 1.00 H new ATOM 277 N LEU A 67 -6.056 -21.772 -1.946 1.00 1.00 N ATOM 278 CA LEU A 67 -6.998 -22.925 -1.838 1.00 1.00 C ATOM 279 C LEU A 67 -7.705 -23.116 -3.176 1.00 1.00 C ATOM 280 O LEU A 67 -8.174 -24.180 -3.541 1.00 1.00 O ATOM 281 CB LEU A 67 -7.979 -22.619 -0.660 1.00 1.00 C ATOM 282 CG LEU A 67 -8.948 -21.418 -0.871 1.00 1.00 C ATOM 283 CD1 LEU A 67 -10.156 -21.826 -1.752 1.00 1.00 C ATOM 284 CD2 LEU A 67 -9.508 -20.982 0.504 1.00 1.00 C ATOM 0 H LEU A 67 -6.408 -20.879 -1.601 1.00 1.00 H new ATOM 0 HA LEU A 67 -6.486 -23.862 -1.620 1.00 1.00 H new ATOM 0 HB2 LEU A 67 -8.575 -23.511 -0.469 1.00 1.00 H new ATOM 0 HB3 LEU A 67 -7.390 -22.431 0.237 1.00 1.00 H new ATOM 0 HG LEU A 67 -8.394 -20.615 -1.357 1.00 1.00 H new ATOM 0 HD11 LEU A 67 -10.816 -20.969 -1.883 1.00 1.00 H new ATOM 0 HD12 LEU A 67 -9.799 -22.162 -2.726 1.00 1.00 H new ATOM 0 HD13 LEU A 67 -10.703 -22.635 -1.267 1.00 1.00 H new ATOM 0 HD21 LEU A 67 -10.188 -20.141 0.370 1.00 1.00 H new ATOM 0 HD22 LEU A 67 -10.045 -21.814 0.959 1.00 1.00 H new ATOM 0 HD23 LEU A 67 -8.685 -20.683 1.154 1.00 1.00 H new