USER MOD reduce.3.24.130724 H: found=0, std=0, add=139, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 140 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 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 58 N LYS A 5 -1.718 -1.786 -3.968 1.00 34.42 N ATOM 59 CA LYS A 5 -1.930 -1.868 -5.408 1.00 40.12 C ATOM 60 C LYS A 5 -2.479 -3.236 -5.801 1.00 2.21 C ATOM 61 O LYS A 5 -3.280 -3.351 -6.730 1.00 25.52 O ATOM 62 CB LYS A 5 -0.620 -1.599 -6.153 1.00 33.13 C ATOM 63 CG LYS A 5 0.498 -2.558 -5.783 1.00 32.25 C ATOM 64 CD LYS A 5 0.450 -3.822 -6.625 1.00 1.02 C ATOM 65 CE LYS A 5 1.798 -4.115 -7.266 1.00 73.43 C ATOM 66 NZ LYS A 5 2.072 -3.212 -8.418 1.00 3.13 N ATOM 0 HA LYS A 5 -2.662 -1.109 -5.686 1.00 40.12 H new ATOM 0 HB2 LYS A 5 -0.802 -1.663 -7.226 1.00 33.13 H new ATOM 0 HB3 LYS A 5 -0.296 -0.579 -5.945 1.00 33.13 H new ATOM 0 HG2 LYS A 5 1.461 -2.066 -5.919 1.00 32.25 H new ATOM 0 HG3 LYS A 5 0.420 -2.820 -4.728 1.00 32.25 H new ATOM 0 HD2 LYS A 5 0.151 -4.665 -6.002 1.00 1.02 H new ATOM 0 HD3 LYS A 5 -0.308 -3.715 -7.401 1.00 1.02 H new ATOM 0 HE2 LYS A 5 2.586 -4.003 -6.521 1.00 73.43 H new ATOM 0 HE3 LYS A 5 1.822 -5.151 -7.603 1.00 73.43 H new ATOM 0 HZ1 LYS A 5 3.000 -3.443 -8.827 1.00 3.13 H new ATOM 0 HZ2 LYS A 5 1.334 -3.337 -9.140 1.00 3.13 H new ATOM 0 HZ3 LYS A 5 2.074 -2.224 -8.092 1.00 3.13 H new ATOM 80 N LEU A 6 -2.045 -4.269 -5.088 1.00 22.22 N ATOM 81 CA LEU A 6 -2.494 -5.630 -5.361 1.00 11.10 C ATOM 82 C LEU A 6 -3.935 -5.830 -4.902 1.00 22.24 C ATOM 83 O LEU A 6 -4.612 -6.761 -5.336 1.00 64.44 O ATOM 84 CB LEU A 6 -1.580 -6.639 -4.665 1.00 22.43 C ATOM 85 CG LEU A 6 -2.162 -8.037 -4.451 1.00 54.03 C ATOM 86 CD1 LEU A 6 -2.473 -8.695 -5.787 1.00 21.45 C ATOM 87 CD2 LEU A 6 -1.203 -8.897 -3.641 1.00 12.40 C ATOM 0 H LEU A 6 -1.383 -4.190 -4.316 1.00 22.22 H new ATOM 0 HA LEU A 6 -2.449 -5.792 -6.438 1.00 11.10 H new ATOM 0 HB2 LEU A 6 -0.665 -6.734 -5.250 1.00 22.43 H new ATOM 0 HB3 LEU A 6 -1.297 -6.233 -3.694 1.00 22.43 H new ATOM 0 HG LEU A 6 -3.092 -7.941 -3.891 1.00 54.03 H new ATOM 0 HD11 LEU A 6 -2.886 -9.689 -5.616 1.00 21.45 H new ATOM 0 HD12 LEU A 6 -3.198 -8.089 -6.331 1.00 21.45 H new ATOM 0 HD13 LEU A 6 -1.558 -8.779 -6.373 1.00 21.45 H new ATOM 0 HD21 LEU A 6 -1.634 -9.888 -3.499 1.00 12.40 H new ATOM 0 HD22 LEU A 6 -0.256 -8.986 -4.173 1.00 12.40 H new ATOM 0 HD23 LEU A 6 -1.031 -8.434 -2.670 1.00 12.40 H new ATOM 99 N ALA A 7 -4.398 -4.948 -4.022 1.00 22.54 N ATOM 100 CA ALA A 7 -5.759 -5.026 -3.507 1.00 12.13 C ATOM 101 C ALA A 7 -6.775 -5.066 -4.644 1.00 23.14 C ATOM 102 O ALA A 7 -7.831 -5.685 -4.524 1.00 13.34 O ATOM 103 CB ALA A 7 -6.043 -3.849 -2.585 1.00 25.12 C ATOM 0 H ALA A 7 -3.850 -4.171 -3.651 1.00 22.54 H new ATOM 0 HA ALA A 7 -5.853 -5.951 -2.938 1.00 12.13 H new ATOM 0 HB1 ALA A 7 -7.063 -3.920 -2.208 1.00 25.12 H new ATOM 0 HB2 ALA A 7 -5.345 -3.866 -1.748 1.00 25.12 H new ATOM 0 HB3 ALA A 7 -5.925 -2.917 -3.138 1.00 25.12 H new ATOM 109 N GLY A 8 -6.447 -4.401 -5.748 1.00 31.34 N ATOM 110 CA GLY A 8 -7.342 -4.373 -6.890 1.00 21.42 C ATOM 111 C GLY A 8 -7.552 -5.747 -7.496 1.00 5.03 C ATOM 112 O GLY A 8 -8.532 -5.979 -8.203 1.00 33.22 O ATOM 0 H GLY A 8 -5.578 -3.882 -5.872 1.00 31.34 H new ATOM 0 HA2 GLY A 8 -8.305 -3.964 -6.583 1.00 21.42 H new ATOM 0 HA3 GLY A 8 -6.937 -3.703 -7.648 1.00 21.42 H new ATOM 116 N LYS A 9 -6.627 -6.661 -7.220 1.00 50.33 N ATOM 117 CA LYS A 9 -6.714 -8.019 -7.743 1.00 65.11 C ATOM 118 C LYS A 9 -7.635 -8.876 -6.881 1.00 71.11 C ATOM 119 O LYS A 9 -8.652 -9.383 -7.355 1.00 62.43 O ATOM 120 CB LYS A 9 -5.322 -8.653 -7.807 1.00 0.34 C ATOM 121 CG LYS A 9 -5.344 -10.138 -8.123 1.00 61.10 C ATOM 122 CD LYS A 9 -6.268 -10.446 -9.289 1.00 62.23 C ATOM 123 CE LYS A 9 -6.198 -11.914 -9.683 1.00 12.20 C ATOM 124 NZ LYS A 9 -7.532 -12.446 -10.077 1.00 61.11 N ATOM 0 H LYS A 9 -5.809 -6.485 -6.637 1.00 50.33 H new ATOM 0 HA LYS A 9 -7.130 -7.968 -8.749 1.00 65.11 H new ATOM 0 HB2 LYS A 9 -4.732 -8.138 -8.565 1.00 0.34 H new ATOM 0 HB3 LYS A 9 -4.818 -8.501 -6.852 1.00 0.34 H new ATOM 0 HG2 LYS A 9 -4.335 -10.476 -8.358 1.00 61.10 H new ATOM 0 HG3 LYS A 9 -5.669 -10.693 -7.243 1.00 61.10 H new ATOM 0 HD2 LYS A 9 -7.293 -10.189 -9.020 1.00 62.23 H new ATOM 0 HD3 LYS A 9 -5.997 -9.826 -10.143 1.00 62.23 H new ATOM 0 HE2 LYS A 9 -5.500 -12.035 -10.511 1.00 12.20 H new ATOM 0 HE3 LYS A 9 -5.807 -12.496 -8.848 1.00 12.20 H new ATOM 0 HZ1 LYS A 9 -7.442 -13.449 -10.338 1.00 61.11 H new ATOM 0 HZ2 LYS A 9 -8.192 -12.354 -9.279 1.00 61.11 H new ATOM 0 HZ3 LYS A 9 -7.894 -11.907 -10.890 1.00 61.11 H new ATOM 138 N LYS A 10 -7.274 -9.033 -5.612 1.00 50.20 N ATOM 139 CA LYS A 10 -8.069 -9.826 -4.682 1.00 53.12 C ATOM 140 C LYS A 10 -9.543 -9.438 -4.758 1.00 65.01 C ATOM 141 O LYS A 10 -10.416 -10.299 -4.868 1.00 64.32 O ATOM 142 CB LYS A 10 -7.555 -9.641 -3.253 1.00 12.33 C ATOM 143 CG LYS A 10 -8.249 -10.532 -2.237 1.00 4.33 C ATOM 144 CD LYS A 10 -9.650 -10.034 -1.923 1.00 24.11 C ATOM 145 CE LYS A 10 -10.076 -10.420 -0.515 1.00 22.13 C ATOM 146 NZ LYS A 10 -10.042 -9.256 0.414 1.00 70.33 N ATOM 0 H LYS A 10 -6.435 -8.621 -5.204 1.00 50.20 H new ATOM 0 HA LYS A 10 -7.972 -10.875 -4.963 1.00 53.12 H new ATOM 0 HB2 LYS A 10 -6.484 -9.845 -3.232 1.00 12.33 H new ATOM 0 HB3 LYS A 10 -7.687 -8.599 -2.960 1.00 12.33 H new ATOM 0 HG2 LYS A 10 -8.302 -11.551 -2.621 1.00 4.33 H new ATOM 0 HG3 LYS A 10 -7.660 -10.567 -1.320 1.00 4.33 H new ATOM 0 HD2 LYS A 10 -9.685 -8.950 -2.030 1.00 24.11 H new ATOM 0 HD3 LYS A 10 -10.355 -10.448 -2.644 1.00 24.11 H new ATOM 0 HE2 LYS A 10 -11.084 -10.834 -0.541 1.00 22.13 H new ATOM 0 HE3 LYS A 10 -9.419 -11.204 -0.139 1.00 22.13 H new ATOM 0 HZ1 LYS A 10 -10.339 -9.560 1.363 1.00 70.33 H new ATOM 0 HZ2 LYS A 10 -9.075 -8.876 0.459 1.00 70.33 H new ATOM 0 HZ3 LYS A 10 -10.688 -8.518 0.069 1.00 70.33 H new ATOM 160 N ILE A 11 -9.811 -8.138 -4.700 1.00 31.00 N ATOM 161 CA ILE A 11 -11.178 -7.637 -4.765 1.00 34.31 C ATOM 162 C ILE A 11 -11.887 -8.135 -6.020 1.00 71.10 C ATOM 163 O ILE A 11 -13.085 -8.419 -5.999 1.00 61.41 O ATOM 164 CB ILE A 11 -11.216 -6.098 -4.744 1.00 42.23 C ATOM 165 CG1 ILE A 11 -10.516 -5.532 -5.982 1.00 24.34 C ATOM 166 CG2 ILE A 11 -10.567 -5.569 -3.474 1.00 21.32 C ATOM 167 CD1 ILE A 11 -11.461 -5.218 -7.120 1.00 62.21 C ATOM 0 H ILE A 11 -9.100 -7.413 -4.608 1.00 31.00 H new ATOM 0 HA ILE A 11 -11.695 -8.017 -3.884 1.00 34.31 H new ATOM 0 HB ILE A 11 -12.257 -5.775 -4.758 1.00 42.23 H new ATOM 0 HG12 ILE A 11 -9.981 -4.624 -5.704 1.00 24.34 H new ATOM 0 HG13 ILE A 11 -9.770 -6.248 -6.327 1.00 24.34 H new ATOM 0 HG21 ILE A 11 -10.602 -4.480 -3.474 1.00 21.32 H new ATOM 0 HG22 ILE A 11 -11.104 -5.949 -2.605 1.00 21.32 H new ATOM 0 HG23 ILE A 11 -9.529 -5.899 -3.431 1.00 21.32 H new ATOM 0 HD11 ILE A 11 -10.896 -4.821 -7.963 1.00 62.21 H new ATOM 0 HD12 ILE A 11 -11.978 -6.128 -7.426 1.00 62.21 H new ATOM 0 HD13 ILE A 11 -12.192 -4.478 -6.793 1.00 62.21 H new ATOM 179 N LYS A 12 -11.139 -8.240 -7.113 1.00 22.10 N ATOM 180 CA LYS A 12 -11.693 -8.707 -8.378 1.00 50.23 C ATOM 181 C LYS A 12 -11.936 -10.212 -8.344 1.00 31.34 C ATOM 182 O LYS A 12 -12.825 -10.723 -9.024 1.00 44.42 O ATOM 183 CB LYS A 12 -10.749 -8.358 -9.532 1.00 33.35 C ATOM 184 CG LYS A 12 -11.470 -8.000 -10.820 1.00 25.31 C ATOM 185 CD LYS A 12 -12.252 -9.182 -11.368 1.00 53.30 C ATOM 186 CE LYS A 12 -12.216 -9.217 -12.888 1.00 61.42 C ATOM 187 NZ LYS A 12 -13.304 -8.397 -13.489 1.00 32.35 N ATOM 0 H LYS A 12 -10.146 -8.008 -7.148 1.00 22.10 H new ATOM 0 HA LYS A 12 -12.649 -8.206 -8.534 1.00 50.23 H new ATOM 0 HB2 LYS A 12 -10.118 -7.521 -9.234 1.00 33.35 H new ATOM 0 HB3 LYS A 12 -10.088 -9.204 -9.719 1.00 33.35 H new ATOM 0 HG2 LYS A 12 -12.148 -7.166 -10.639 1.00 25.31 H new ATOM 0 HG3 LYS A 12 -10.746 -7.666 -11.563 1.00 25.31 H new ATOM 0 HD2 LYS A 12 -11.838 -10.109 -10.972 1.00 53.30 H new ATOM 0 HD3 LYS A 12 -13.286 -9.124 -11.029 1.00 53.30 H new ATOM 0 HE2 LYS A 12 -11.251 -8.850 -13.237 1.00 61.42 H new ATOM 0 HE3 LYS A 12 -12.308 -10.248 -13.230 1.00 61.42 H new ATOM 0 HZ1 LYS A 12 -13.244 -8.447 -14.526 1.00 32.35 H new ATOM 0 HZ2 LYS A 12 -14.227 -8.762 -13.177 1.00 32.35 H new ATOM 0 HZ3 LYS A 12 -13.202 -7.408 -13.184 1.00 32.35 H new ATOM 201 N ASN A 13 -11.141 -10.917 -7.545 1.00 32.20 N ATOM 202 CA ASN A 13 -11.271 -12.364 -7.421 1.00 72.51 C ATOM 203 C ASN A 13 -12.511 -12.732 -6.612 1.00 54.00 C ATOM 204 O ASN A 13 -13.163 -13.742 -6.879 1.00 34.42 O ATOM 205 CB ASN A 13 -10.024 -12.955 -6.760 1.00 41.21 C ATOM 206 CG ASN A 13 -10.131 -14.454 -6.559 1.00 63.12 C ATOM 207 OD1 ASN A 13 -10.387 -14.926 -5.452 1.00 33.53 O ATOM 208 ND2 ASN A 13 -9.933 -15.210 -7.633 1.00 34.21 N ATOM 0 H ASN A 13 -10.400 -10.510 -6.974 1.00 32.20 H new ATOM 0 HA ASN A 13 -11.375 -12.781 -8.423 1.00 72.51 H new ATOM 0 HB2 ASN A 13 -9.151 -12.735 -7.375 1.00 41.21 H new ATOM 0 HB3 ASN A 13 -9.864 -12.472 -5.796 1.00 41.21 H new ATOM 0 HD21 ASN A 13 -9.991 -16.226 -7.559 1.00 34.21 H new ATOM 0 HD22 ASN A 13 -9.723 -14.775 -8.531 1.00 34.21 H new ATOM 215 N LEU A 14 -12.832 -11.905 -5.623 1.00 30.20 N ATOM 216 CA LEU A 14 -13.995 -12.142 -4.774 1.00 42.14 C ATOM 217 C LEU A 14 -15.279 -11.716 -5.479 1.00 2.42 C ATOM 218 O LEU A 14 -16.330 -12.334 -5.305 1.00 63.43 O ATOM 219 CB LEU A 14 -13.849 -11.385 -3.453 1.00 71.11 C ATOM 220 CG LEU A 14 -15.026 -11.496 -2.483 1.00 2.31 C ATOM 221 CD1 LEU A 14 -15.470 -12.944 -2.346 1.00 10.35 C ATOM 222 CD2 LEU A 14 -14.653 -10.919 -1.125 1.00 33.12 C ATOM 0 H LEU A 14 -12.304 -11.065 -5.389 1.00 30.20 H new ATOM 0 HA LEU A 14 -14.053 -13.211 -4.568 1.00 42.14 H new ATOM 0 HB2 LEU A 14 -12.953 -11.745 -2.948 1.00 71.11 H new ATOM 0 HB3 LEU A 14 -13.687 -10.331 -3.677 1.00 71.11 H new ATOM 0 HG LEU A 14 -15.859 -10.919 -2.884 1.00 2.31 H new ATOM 0 HD11 LEU A 14 -16.308 -13.003 -1.652 1.00 10.35 H new ATOM 0 HD12 LEU A 14 -15.778 -13.324 -3.320 1.00 10.35 H new ATOM 0 HD13 LEU A 14 -14.642 -13.544 -1.968 1.00 10.35 H new ATOM 0 HD21 LEU A 14 -15.502 -11.006 -0.447 1.00 33.12 H new ATOM 0 HD22 LEU A 14 -13.805 -11.468 -0.717 1.00 33.12 H new ATOM 0 HD23 LEU A 14 -14.385 -9.869 -1.237 1.00 33.12 H new ATOM 234 N LEU A 15 -15.187 -10.657 -6.276 1.00 3.34 N ATOM 235 CA LEU A 15 -16.341 -10.148 -7.009 1.00 63.41 C ATOM 236 C LEU A 15 -16.832 -11.172 -8.028 1.00 40.41 C ATOM 237 O LEU A 15 -18.033 -11.420 -8.144 1.00 4.42 O ATOM 238 CB LEU A 15 -15.985 -8.839 -7.715 1.00 44.02 C ATOM 239 CG LEU A 15 -16.906 -8.423 -8.862 1.00 52.22 C ATOM 240 CD1 LEU A 15 -16.969 -6.907 -8.974 1.00 22.44 C ATOM 241 CD2 LEU A 15 -16.437 -9.037 -10.173 1.00 42.21 C ATOM 0 H LEU A 15 -14.325 -10.134 -6.431 1.00 3.34 H new ATOM 0 HA LEU A 15 -17.142 -9.961 -6.294 1.00 63.41 H new ATOM 0 HB2 LEU A 15 -15.978 -8.040 -6.974 1.00 44.02 H new ATOM 0 HB3 LEU A 15 -14.970 -8.923 -8.103 1.00 44.02 H new ATOM 0 HG LEU A 15 -17.909 -8.793 -8.649 1.00 52.22 H new ATOM 0 HD11 LEU A 15 -17.629 -6.630 -9.796 1.00 22.44 H new ATOM 0 HD12 LEU A 15 -17.353 -6.489 -8.043 1.00 22.44 H new ATOM 0 HD13 LEU A 15 -15.970 -6.514 -9.163 1.00 22.44 H new ATOM 0 HD21 LEU A 15 -17.105 -8.730 -10.978 1.00 42.21 H new ATOM 0 HD22 LEU A 15 -15.425 -8.698 -10.392 1.00 42.21 H new ATOM 0 HD23 LEU A 15 -16.445 -10.124 -10.089 1.00 42.21 H new ATOM 253 N ILE A 16 -15.896 -11.764 -8.763 1.00 13.53 N ATOM 254 CA ILE A 16 -16.234 -12.762 -9.769 1.00 73.22 C ATOM 255 C ILE A 16 -16.777 -14.032 -9.123 1.00 32.22 C ATOM 256 O ILE A 16 -17.657 -14.694 -9.674 1.00 23.23 O ATOM 257 CB ILE A 16 -15.014 -13.122 -10.637 1.00 21.52 C ATOM 258 CG1 ILE A 16 -13.870 -13.635 -9.759 1.00 11.30 C ATOM 259 CG2 ILE A 16 -14.566 -11.916 -11.449 1.00 35.14 C ATOM 260 CD1 ILE A 16 -12.616 -13.971 -10.536 1.00 34.13 C ATOM 0 H ILE A 16 -14.898 -11.569 -8.680 1.00 13.53 H new ATOM 0 HA ILE A 16 -17.004 -12.322 -10.403 1.00 73.22 H new ATOM 0 HB ILE A 16 -15.300 -13.914 -11.329 1.00 21.52 H new ATOM 0 HG12 ILE A 16 -13.632 -12.881 -9.009 1.00 11.30 H new ATOM 0 HG13 ILE A 16 -14.204 -14.523 -9.223 1.00 11.30 H new ATOM 0 HG21 ILE A 16 -13.703 -12.187 -12.057 1.00 35.14 H new ATOM 0 HG22 ILE A 16 -15.380 -11.592 -12.098 1.00 35.14 H new ATOM 0 HG23 ILE A 16 -14.294 -11.104 -10.775 1.00 35.14 H new ATOM 0 HD11 ILE A 16 -11.848 -14.328 -9.850 1.00 34.13 H new ATOM 0 HD12 ILE A 16 -12.839 -14.748 -11.268 1.00 34.13 H new ATOM 0 HD13 ILE A 16 -12.257 -13.080 -11.051 1.00 34.13 H new ATOM 272 N SER A 17 -16.248 -14.366 -7.950 1.00 0.50 N ATOM 273 CA SER A 17 -16.678 -15.558 -7.229 1.00 1.45 C ATOM 274 C SER A 17 -18.024 -15.325 -6.549 1.00 70.41 C ATOM 275 O SER A 17 -18.820 -16.250 -6.390 1.00 65.30 O ATOM 276 CB SER A 17 -15.630 -15.955 -6.187 1.00 41.11 C ATOM 277 OG SER A 17 -14.959 -17.144 -6.566 1.00 74.33 O ATOM 0 H SER A 17 -15.521 -13.828 -7.479 1.00 0.50 H new ATOM 0 HA SER A 17 -16.789 -16.368 -7.949 1.00 1.45 H new ATOM 0 HB2 SER A 17 -14.907 -15.148 -6.068 1.00 41.11 H new ATOM 0 HB3 SER A 17 -16.111 -16.098 -5.219 1.00 41.11 H new ATOM 0 HG SER A 17 -14.294 -17.375 -5.885 1.00 74.33 H new ATOM 283 N GLY A 18 -18.272 -14.082 -6.150 1.00 3.43 N ATOM 284 CA GLY A 18 -19.522 -13.749 -5.492 1.00 3.32 C ATOM 285 C GLY A 18 -20.640 -13.473 -6.477 1.00 40.11 C ATOM 286 O GLY A 18 -21.817 -13.505 -6.117 1.00 34.34 O ATOM 0 H GLY A 18 -17.630 -13.299 -6.271 1.00 3.43 H new ATOM 0 HA2 GLY A 18 -19.814 -14.570 -4.837 1.00 3.32 H new ATOM 0 HA3 GLY A 18 -19.374 -12.873 -4.860 1.00 3.32 H new ATOM 290 N LEU A 19 -20.273 -13.199 -7.724 1.00 72.02 N ATOM 291 CA LEU A 19 -21.255 -12.914 -8.765 1.00 63.33 C ATOM 292 C LEU A 19 -21.474 -14.134 -9.655 1.00 41.31 C ATOM 293 O LEU A 19 -22.486 -14.236 -10.349 1.00 31.15 O ATOM 294 CB LEU A 19 -20.798 -11.726 -9.613 1.00 41.30 C ATOM 295 CG LEU A 19 -21.490 -11.561 -10.967 1.00 22.44 C ATOM 296 CD1 LEU A 19 -22.990 -11.390 -10.782 1.00 64.01 C ATOM 297 CD2 LEU A 19 -20.905 -10.378 -11.724 1.00 72.23 C ATOM 0 H LEU A 19 -19.303 -13.168 -8.039 1.00 72.02 H new ATOM 0 HA LEU A 19 -22.200 -12.665 -8.281 1.00 63.33 H new ATOM 0 HB2 LEU A 19 -20.950 -10.814 -9.036 1.00 41.30 H new ATOM 0 HB3 LEU A 19 -19.726 -11.819 -9.785 1.00 41.30 H new ATOM 0 HG LEU A 19 -21.318 -12.463 -11.554 1.00 22.44 H new ATOM 0 HD11 LEU A 19 -23.466 -11.274 -11.756 1.00 64.01 H new ATOM 0 HD12 LEU A 19 -23.397 -12.268 -10.281 1.00 64.01 H new ATOM 0 HD13 LEU A 19 -23.183 -10.505 -10.176 1.00 64.01 H new ATOM 0 HD21 LEU A 19 -21.409 -10.276 -12.685 1.00 72.23 H new ATOM 0 HD22 LEU A 19 -21.046 -9.468 -11.141 1.00 72.23 H new ATOM 0 HD23 LEU A 19 -19.840 -10.542 -11.889 1.00 72.23 H new