USER MOD reduce.3.24.130724 H: found=0, std=0, add=271, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 272 hydrogens (2 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 1 SER N :NH3+ -130:sc= 0.437 (180deg=0) USER MOD Single : A 1 SER OG : rot 137:sc= 1.4 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 145:sc= 1.2 USER MOD Single : A 21 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -16.800 1.058 2.782 1.00 0.00 N ATOM 2 CA SER A 1 -16.385 2.176 3.640 1.00 0.00 C ATOM 3 C SER A 1 -17.369 3.337 3.457 1.00 0.00 C ATOM 4 O SER A 1 -18.290 3.197 2.650 1.00 0.00 O ATOM 5 CB SER A 1 -14.921 2.511 3.301 1.00 0.00 C ATOM 6 OG SER A 1 -14.684 2.402 1.915 1.00 0.00 O ATOM 0 H1 SER A 1 -16.833 0.183 3.343 1.00 0.00 H new ATOM 0 H2 SER A 1 -17.743 1.253 2.390 1.00 0.00 H new ATOM 0 H3 SER A 1 -16.118 0.945 2.005 1.00 0.00 H new ATOM 0 HA SER A 1 -16.415 1.930 4.701 1.00 0.00 H new ATOM 0 HB2 SER A 1 -14.689 3.523 3.634 1.00 0.00 H new ATOM 0 HB3 SER A 1 -14.256 1.837 3.841 1.00 0.00 H new ATOM 0 HG SER A 1 -14.144 3.163 1.615 1.00 0.00 H new ATOM 14 N PRO A 2 -17.233 4.462 4.186 1.00 0.00 N ATOM 15 CA PRO A 2 -17.661 5.761 3.658 1.00 0.00 C ATOM 16 C PRO A 2 -16.891 6.061 2.353 1.00 0.00 C ATOM 17 O PRO A 2 -16.022 5.268 1.988 1.00 0.00 O ATOM 18 CB PRO A 2 -17.330 6.760 4.779 1.00 0.00 C ATOM 19 CG PRO A 2 -16.130 6.127 5.478 1.00 0.00 C ATOM 20 CD PRO A 2 -16.453 4.637 5.407 1.00 0.00 C ATOM 0 HA PRO A 2 -18.719 5.805 3.401 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -17.088 7.745 4.380 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -18.170 6.890 5.462 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -15.194 6.364 4.972 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -16.032 6.472 6.507 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -15.542 4.039 5.379 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -17.018 4.316 6.282 1.00 0.00 H new ATOM 28 N PRO A 3 -17.170 7.162 1.630 1.00 0.00 N ATOM 29 CA PRO A 3 -16.381 7.557 0.463 1.00 0.00 C ATOM 30 C PRO A 3 -14.999 8.065 0.920 1.00 0.00 C ATOM 31 O PRO A 3 -14.719 9.265 0.913 1.00 0.00 O ATOM 32 CB PRO A 3 -17.233 8.607 -0.263 1.00 0.00 C ATOM 33 CG PRO A 3 -18.047 9.239 0.866 1.00 0.00 C ATOM 34 CD PRO A 3 -18.308 8.057 1.799 1.00 0.00 C ATOM 0 HA PRO A 3 -16.163 6.737 -0.222 1.00 0.00 H new ATOM 0 HB2 PRO A 3 -16.614 9.344 -0.774 1.00 0.00 H new ATOM 0 HB3 PRO A 3 -17.876 8.153 -1.017 1.00 0.00 H new ATOM 0 HG2 PRO A 3 -17.495 10.035 1.366 1.00 0.00 H new ATOM 0 HG3 PRO A 3 -18.975 9.677 0.499 1.00 0.00 H new ATOM 0 HD2 PRO A 3 -18.396 8.387 2.834 1.00 0.00 H new ATOM 0 HD3 PRO A 3 -19.242 7.556 1.544 1.00 0.00 H new ATOM 42 N ASP A 4 -14.148 7.150 1.381 1.00 0.00 N ATOM 43 CA ASP A 4 -12.810 7.418 1.867 1.00 0.00 C ATOM 44 C ASP A 4 -11.914 7.709 0.667 1.00 0.00 C ATOM 45 O ASP A 4 -11.539 6.835 -0.110 1.00 0.00 O ATOM 46 CB ASP A 4 -12.301 6.304 2.801 1.00 0.00 C ATOM 47 CG ASP A 4 -11.923 4.975 2.136 1.00 0.00 C ATOM 48 OD1 ASP A 4 -12.854 4.196 1.825 1.00 0.00 O ATOM 49 OD2 ASP A 4 -10.705 4.690 2.067 1.00 0.00 O ATOM 0 H ASP A 4 -14.390 6.160 1.425 1.00 0.00 H new ATOM 0 HA ASP A 4 -12.803 8.303 2.503 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -11.428 6.679 3.335 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -13.071 6.106 3.547 1.00 0.00 H new ATOM 54 N TYR A 5 -11.615 8.991 0.472 1.00 0.00 N ATOM 55 CA TYR A 5 -10.810 9.545 -0.613 1.00 0.00 C ATOM 56 C TYR A 5 -9.310 9.221 -0.452 1.00 0.00 C ATOM 57 O TYR A 5 -8.450 10.018 -0.827 1.00 0.00 O ATOM 58 CB TYR A 5 -11.110 11.053 -0.714 1.00 0.00 C ATOM 59 CG TYR A 5 -10.939 11.838 0.578 1.00 0.00 C ATOM 60 CD1 TYR A 5 -12.022 11.973 1.471 1.00 0.00 C ATOM 61 CD2 TYR A 5 -9.699 12.427 0.893 1.00 0.00 C ATOM 62 CE1 TYR A 5 -11.860 12.677 2.678 1.00 0.00 C ATOM 63 CE2 TYR A 5 -9.531 13.138 2.094 1.00 0.00 C ATOM 64 CZ TYR A 5 -10.614 13.261 2.995 1.00 0.00 C ATOM 65 OH TYR A 5 -10.471 13.941 4.166 1.00 0.00 O ATOM 0 H TYR A 5 -11.949 9.716 1.107 1.00 0.00 H new ATOM 0 HA TYR A 5 -11.083 9.075 -1.558 1.00 0.00 H new ATOM 0 HB2 TYR A 5 -10.458 11.486 -1.472 1.00 0.00 H new ATOM 0 HB3 TYR A 5 -12.134 11.180 -1.064 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -12.979 11.535 1.228 1.00 0.00 H new ATOM 0 HD2 TYR A 5 -8.871 12.332 0.206 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -12.690 12.771 3.363 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -8.578 13.589 2.328 1.00 0.00 H new ATOM 0 HH TYR A 5 -9.555 14.281 4.237 1.00 0.00 H new ATOM 75 N SER A 6 -8.981 8.041 0.075 1.00 0.00 N ATOM 76 CA SER A 6 -7.671 7.508 0.448 1.00 0.00 C ATOM 77 C SER A 6 -6.677 7.331 -0.717 1.00 0.00 C ATOM 78 O SER A 6 -5.706 6.578 -0.599 1.00 0.00 O ATOM 79 CB SER A 6 -7.921 6.181 1.179 1.00 0.00 C ATOM 80 OG SER A 6 -8.811 6.395 2.255 1.00 0.00 O ATOM 0 H SER A 6 -9.712 7.357 0.273 1.00 0.00 H new ATOM 0 HA SER A 6 -7.177 8.241 1.086 1.00 0.00 H new ATOM 0 HB2 SER A 6 -8.338 5.447 0.489 1.00 0.00 H new ATOM 0 HB3 SER A 6 -6.979 5.774 1.548 1.00 0.00 H new ATOM 0 HG SER A 6 -9.395 5.615 2.357 1.00 0.00 H new ATOM 86 N ALA A 7 -6.887 7.996 -1.858 1.00 0.00 N ATOM 87 CA ALA A 7 -5.980 8.034 -2.994 1.00 0.00 C ATOM 88 C ALA A 7 -4.768 8.906 -2.630 1.00 0.00 C ATOM 89 O ALA A 7 -4.612 10.021 -3.132 1.00 0.00 O ATOM 90 CB ALA A 7 -6.731 8.548 -4.231 1.00 0.00 C ATOM 0 H ALA A 7 -7.733 8.544 -2.015 1.00 0.00 H new ATOM 0 HA ALA A 7 -5.611 7.037 -3.236 1.00 0.00 H new ATOM 0 HB1 ALA A 7 -6.052 8.577 -5.083 1.00 0.00 H new ATOM 0 HB2 ALA A 7 -7.564 7.882 -4.454 1.00 0.00 H new ATOM 0 HB3 ALA A 7 -7.111 9.551 -4.036 1.00 0.00 H new ATOM 96 N ALA A 8 -3.915 8.383 -1.749 1.00 0.00 N ATOM 97 CA ALA A 8 -2.752 9.032 -1.157 1.00 0.00 C ATOM 98 C ALA A 8 -1.721 9.470 -2.222 1.00 0.00 C ATOM 99 O ALA A 8 -1.742 8.952 -3.348 1.00 0.00 O ATOM 100 CB ALA A 8 -2.178 8.048 -0.131 1.00 0.00 C ATOM 0 H ALA A 8 -4.029 7.428 -1.409 1.00 0.00 H new ATOM 0 HA ALA A 8 -3.034 9.962 -0.664 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -1.301 8.488 0.344 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -2.931 7.832 0.627 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -1.894 7.123 -0.633 1.00 0.00 H new ATOM 106 N PRO A 9 -0.816 10.423 -1.910 1.00 0.00 N ATOM 107 CA PRO A 9 0.110 10.994 -2.887 1.00 0.00 C ATOM 108 C PRO A 9 1.103 9.976 -3.457 1.00 0.00 C ATOM 109 O PRO A 9 1.428 8.963 -2.839 1.00 0.00 O ATOM 110 CB PRO A 9 0.815 12.158 -2.177 1.00 0.00 C ATOM 111 CG PRO A 9 0.667 11.827 -0.695 1.00 0.00 C ATOM 112 CD PRO A 9 -0.686 11.125 -0.638 1.00 0.00 C ATOM 0 HA PRO A 9 -0.438 11.337 -3.764 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.863 12.228 -2.468 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.352 13.114 -2.421 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.472 11.182 -0.342 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.683 12.725 -0.077 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -0.732 10.430 0.200 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.495 11.843 -0.502 1.00 0.00 H new ATOM 120 N ARG A 10 1.596 10.265 -4.665 1.00 0.00 N ATOM 121 CA ARG A 10 2.503 9.431 -5.446 1.00 0.00 C ATOM 122 C ARG A 10 3.285 10.342 -6.390 1.00 0.00 C ATOM 123 O ARG A 10 2.836 11.448 -6.676 1.00 0.00 O ATOM 124 CB ARG A 10 1.724 8.349 -6.234 1.00 0.00 C ATOM 125 CG ARG A 10 0.589 8.844 -7.161 1.00 0.00 C ATOM 126 CD ARG A 10 -0.758 8.966 -6.433 1.00 0.00 C ATOM 127 NE ARG A 10 -1.813 9.581 -7.264 1.00 0.00 N ATOM 128 CZ ARG A 10 -2.961 10.080 -6.778 1.00 0.00 C ATOM 129 NH1 ARG A 10 -3.216 10.002 -5.478 1.00 0.00 N ATOM 130 NH2 ARG A 10 -3.847 10.658 -7.587 1.00 0.00 N ATOM 0 H ARG A 10 1.359 11.133 -5.146 1.00 0.00 H new ATOM 0 HA ARG A 10 3.190 8.905 -4.783 1.00 0.00 H new ATOM 0 HB2 ARG A 10 2.437 7.790 -6.839 1.00 0.00 H new ATOM 0 HB3 ARG A 10 1.296 7.648 -5.517 1.00 0.00 H new ATOM 0 HG2 ARG A 10 0.862 9.814 -7.577 1.00 0.00 H new ATOM 0 HG3 ARG A 10 0.484 8.156 -7.999 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.084 7.975 -6.117 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.623 9.560 -5.529 1.00 0.00 H new ATOM 0 HE ARG A 10 -1.660 9.630 -8.271 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -2.541 9.564 -4.851 1.00 0.00 H new ATOM 0 HH12 ARG A 10 -4.087 10.380 -5.106 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.657 10.725 -8.587 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -4.716 11.034 -7.207 1.00 0.00 H new ATOM 144 N GLY A 11 4.429 9.880 -6.899 1.00 0.00 N ATOM 145 CA GLY A 11 5.235 10.585 -7.903 1.00 0.00 C ATOM 146 C GLY A 11 5.924 11.865 -7.417 1.00 0.00 C ATOM 147 O GLY A 11 6.687 12.482 -8.161 1.00 0.00 O ATOM 0 H GLY A 11 4.831 8.985 -6.620 1.00 0.00 H new ATOM 0 HA2 GLY A 11 5.998 9.902 -8.276 1.00 0.00 H new ATOM 0 HA3 GLY A 11 4.593 10.837 -8.747 1.00 0.00 H new ATOM 151 N ARG A 12 5.688 12.252 -6.170 1.00 0.00 N ATOM 152 CA ARG A 12 6.280 13.338 -5.416 1.00 0.00 C ATOM 153 C ARG A 12 6.088 12.872 -3.980 1.00 0.00 C ATOM 154 O ARG A 12 4.948 12.820 -3.533 1.00 0.00 O ATOM 155 CB ARG A 12 5.555 14.683 -5.648 1.00 0.00 C ATOM 156 CG ARG A 12 5.735 15.324 -7.035 1.00 0.00 C ATOM 157 CD ARG A 12 7.204 15.637 -7.359 1.00 0.00 C ATOM 158 NE ARG A 12 7.352 16.354 -8.640 1.00 0.00 N ATOM 159 CZ ARG A 12 7.498 15.804 -9.855 1.00 0.00 C ATOM 160 NH1 ARG A 12 7.431 14.484 -10.026 1.00 0.00 N ATOM 161 NH2 ARG A 12 7.715 16.591 -10.907 1.00 0.00 N ATOM 0 H ARG A 12 5.000 11.754 -5.605 1.00 0.00 H new ATOM 0 HA ARG A 12 7.315 13.529 -5.698 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.489 14.531 -5.477 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.901 15.392 -4.896 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.335 14.653 -7.795 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.153 16.244 -7.084 1.00 0.00 H new ATOM 0 HD2 ARG A 12 7.631 16.239 -6.557 1.00 0.00 H new ATOM 0 HD3 ARG A 12 7.772 14.707 -7.397 1.00 0.00 H new ATOM 0 HE ARG A 12 7.342 17.373 -8.597 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.266 13.874 -9.225 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.544 14.084 -10.957 1.00 0.00 H new ATOM 0 HH21 ARG A 12 7.769 17.602 -10.785 1.00 0.00 H new ATOM 0 HH22 ARG A 12 7.827 16.183 -11.835 1.00 0.00 H new ATOM 175 N PHE A 13 7.170 12.374 -3.382 1.00 0.00 N ATOM 176 CA PHE A 13 7.344 11.963 -1.987 1.00 0.00 C ATOM 177 C PHE A 13 6.027 11.594 -1.293 1.00 0.00 C ATOM 178 O PHE A 13 5.489 12.376 -0.514 1.00 0.00 O ATOM 179 CB PHE A 13 8.124 13.060 -1.244 1.00 0.00 C ATOM 180 CG PHE A 13 9.448 13.419 -1.895 1.00 0.00 C ATOM 181 CD1 PHE A 13 10.529 12.517 -1.846 1.00 0.00 C ATOM 182 CD2 PHE A 13 9.595 14.646 -2.572 1.00 0.00 C ATOM 183 CE1 PHE A 13 11.746 12.839 -2.473 1.00 0.00 C ATOM 184 CE2 PHE A 13 10.813 14.968 -3.196 1.00 0.00 C ATOM 185 CZ PHE A 13 11.889 14.064 -3.148 1.00 0.00 C ATOM 0 H PHE A 13 8.030 12.234 -3.912 1.00 0.00 H new ATOM 0 HA PHE A 13 7.921 11.038 -1.967 1.00 0.00 H new ATOM 0 HB2 PHE A 13 7.505 13.955 -1.184 1.00 0.00 H new ATOM 0 HB3 PHE A 13 8.310 12.731 -0.221 1.00 0.00 H new ATOM 0 HD1 PHE A 13 10.423 11.576 -1.326 1.00 0.00 H new ATOM 0 HD2 PHE A 13 8.769 15.341 -2.612 1.00 0.00 H new ATOM 0 HE1 PHE A 13 12.572 12.144 -2.436 1.00 0.00 H new ATOM 0 HE2 PHE A 13 10.922 15.910 -3.712 1.00 0.00 H new ATOM 0 HZ PHE A 13 12.824 14.310 -3.629 1.00 0.00 H new ATOM 195 N GLY A 14 5.486 10.413 -1.598 1.00 0.00 N ATOM 196 CA GLY A 14 4.202 9.986 -1.071 1.00 0.00 C ATOM 197 C GLY A 14 4.139 8.471 -0.986 1.00 0.00 C ATOM 198 O GLY A 14 4.941 7.768 -1.602 1.00 0.00 O ATOM 0 H GLY A 14 5.929 9.733 -2.216 1.00 0.00 H new ATOM 0 HA2 GLY A 14 4.046 10.418 -0.083 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.399 10.354 -1.710 1.00 0.00 H new ATOM 202 N ILE A 15 3.168 7.989 -0.220 1.00 0.00 N ATOM 203 CA ILE A 15 2.937 6.596 0.121 1.00 0.00 C ATOM 204 C ILE A 15 1.550 6.283 -0.431 1.00 0.00 C ATOM 205 O ILE A 15 0.557 6.589 0.228 1.00 0.00 O ATOM 206 CB ILE A 15 3.043 6.413 1.656 1.00 0.00 C ATOM 207 CG1 ILE A 15 4.473 6.743 2.153 1.00 0.00 C ATOM 208 CG2 ILE A 15 2.598 5.005 2.099 1.00 0.00 C ATOM 209 CD1 ILE A 15 4.664 6.624 3.670 1.00 0.00 C ATOM 0 H ILE A 15 2.476 8.605 0.207 1.00 0.00 H new ATOM 0 HA ILE A 15 3.671 5.911 -0.303 1.00 0.00 H new ATOM 0 HB ILE A 15 2.356 7.120 2.121 1.00 0.00 H new ATOM 0 HG12 ILE A 15 5.179 6.076 1.658 1.00 0.00 H new ATOM 0 HG13 ILE A 15 4.725 7.758 1.847 1.00 0.00 H new ATOM 0 HG21 ILE A 15 2.688 4.919 3.182 1.00 0.00 H new ATOM 0 HG22 ILE A 15 1.560 4.843 1.807 1.00 0.00 H new ATOM 0 HG23 ILE A 15 3.231 4.257 1.622 1.00 0.00 H new ATOM 0 HD11 ILE A 15 5.693 6.873 3.928 1.00 0.00 H new ATOM 0 HD12 ILE A 15 3.987 7.311 4.177 1.00 0.00 H new ATOM 0 HD13 ILE A 15 4.448 5.603 3.985 1.00 0.00 H new ATOM 221 N PRO A 16 1.449 5.767 -1.666 1.00 0.00 N ATOM 222 CA PRO A 16 0.177 5.311 -2.196 1.00 0.00 C ATOM 223 C PRO A 16 -0.170 4.001 -1.463 1.00 0.00 C ATOM 224 O PRO A 16 0.494 3.605 -0.503 1.00 0.00 O ATOM 225 CB PRO A 16 0.403 5.158 -3.706 1.00 0.00 C ATOM 226 CG PRO A 16 1.899 4.869 -3.822 1.00 0.00 C ATOM 227 CD PRO A 16 2.502 5.660 -2.662 1.00 0.00 C ATOM 0 HA PRO A 16 -0.667 5.983 -2.045 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -0.195 4.346 -4.120 1.00 0.00 H new ATOM 0 HB3 PRO A 16 0.127 6.064 -4.246 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.111 3.803 -3.735 1.00 0.00 H new ATOM 0 HG3 PRO A 16 2.298 5.196 -4.782 1.00 0.00 H new ATOM 0 HD2 PRO A 16 3.376 5.151 -2.254 1.00 0.00 H new ATOM 0 HD3 PRO A 16 2.831 6.646 -2.990 1.00 0.00 H new ATOM 235 N PHE A 17 -1.167 3.264 -1.945 1.00 0.00 N ATOM 236 CA PHE A 17 -1.574 1.955 -1.433 1.00 0.00 C ATOM 237 C PHE A 17 -0.488 0.858 -1.520 1.00 0.00 C ATOM 238 O PHE A 17 -0.814 -0.319 -1.385 1.00 0.00 O ATOM 239 CB PHE A 17 -2.866 1.543 -2.166 1.00 0.00 C ATOM 240 CG PHE A 17 -2.755 1.547 -3.683 1.00 0.00 C ATOM 241 CD1 PHE A 17 -2.138 0.475 -4.358 1.00 0.00 C ATOM 242 CD2 PHE A 17 -3.252 2.639 -4.423 1.00 0.00 C ATOM 243 CE1 PHE A 17 -2.002 0.503 -5.757 1.00 0.00 C ATOM 244 CE2 PHE A 17 -3.118 2.665 -5.822 1.00 0.00 C ATOM 245 CZ PHE A 17 -2.489 1.599 -6.489 1.00 0.00 C ATOM 0 H PHE A 17 -1.736 3.572 -2.733 1.00 0.00 H new ATOM 0 HA PHE A 17 -1.747 2.055 -0.361 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.153 0.544 -1.837 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.668 2.219 -1.871 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -1.768 -0.371 -3.798 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -3.737 3.458 -3.913 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.523 -0.318 -6.269 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -3.498 3.504 -6.385 1.00 0.00 H new ATOM 0 HZ PHE A 17 -2.380 1.623 -7.563 1.00 0.00 H new ATOM 255 N PHE A 18 0.794 1.188 -1.718 1.00 0.00 N ATOM 256 CA PHE A 18 1.867 0.225 -1.939 1.00 0.00 C ATOM 257 C PHE A 18 1.898 -0.865 -0.843 1.00 0.00 C ATOM 258 O PHE A 18 2.051 -2.034 -1.211 1.00 0.00 O ATOM 259 CB PHE A 18 3.250 0.896 -2.118 1.00 0.00 C ATOM 260 CG PHE A 18 4.056 1.315 -0.901 1.00 0.00 C ATOM 261 CD1 PHE A 18 4.799 0.337 -0.206 1.00 0.00 C ATOM 262 CD2 PHE A 18 4.223 2.669 -0.566 1.00 0.00 C ATOM 263 CE1 PHE A 18 5.672 0.703 0.832 1.00 0.00 C ATOM 264 CE2 PHE A 18 5.139 3.039 0.435 1.00 0.00 C ATOM 265 CZ PHE A 18 5.848 2.059 1.149 1.00 0.00 C ATOM 0 H PHE A 18 1.116 2.156 -1.728 1.00 0.00 H new ATOM 0 HA PHE A 18 1.641 -0.268 -2.884 1.00 0.00 H new ATOM 0 HB2 PHE A 18 3.870 0.211 -2.697 1.00 0.00 H new ATOM 0 HB3 PHE A 18 3.101 1.786 -2.730 1.00 0.00 H new ATOM 0 HD1 PHE A 18 4.695 -0.704 -0.475 1.00 0.00 H new ATOM 0 HD2 PHE A 18 3.648 3.426 -1.078 1.00 0.00 H new ATOM 0 HE1 PHE A 18 6.206 -0.056 1.384 1.00 0.00 H new ATOM 0 HE2 PHE A 18 5.298 4.084 0.656 1.00 0.00 H new ATOM 0 HZ PHE A 18 6.526 2.348 1.939 1.00 0.00 H new ATOM 275 N PRO A 19 1.718 -0.583 0.474 1.00 0.00 N ATOM 276 CA PRO A 19 1.839 -1.628 1.487 1.00 0.00 C ATOM 277 C PRO A 19 0.725 -2.681 1.429 1.00 0.00 C ATOM 278 O PRO A 19 0.839 -3.676 2.139 1.00 0.00 O ATOM 279 CB PRO A 19 1.909 -0.919 2.843 1.00 0.00 C ATOM 280 CG PRO A 19 1.162 0.383 2.594 1.00 0.00 C ATOM 281 CD PRO A 19 1.528 0.705 1.149 1.00 0.00 C ATOM 0 HA PRO A 19 2.742 -2.210 1.305 1.00 0.00 H new ATOM 0 HB2 PRO A 19 1.439 -1.509 3.630 1.00 0.00 H new ATOM 0 HB3 PRO A 19 2.939 -0.740 3.151 1.00 0.00 H new ATOM 0 HG2 PRO A 19 0.086 0.264 2.723 1.00 0.00 H new ATOM 0 HG3 PRO A 19 1.480 1.170 3.278 1.00 0.00 H new ATOM 0 HD2 PRO A 19 0.739 1.283 0.668 1.00 0.00 H new ATOM 0 HD3 PRO A 19 2.436 1.306 1.103 1.00 0.00 H new ATOM 289 N VAL A 20 -0.320 -2.523 0.608 1.00 0.00 N ATOM 290 CA VAL A 20 -1.350 -3.540 0.399 1.00 0.00 C ATOM 291 C VAL A 20 -0.692 -4.841 -0.045 1.00 0.00 C ATOM 292 O VAL A 20 -0.825 -5.875 0.604 1.00 0.00 O ATOM 293 CB VAL A 20 -2.361 -3.026 -0.656 1.00 0.00 C ATOM 294 CG1 VAL A 20 -3.167 -4.142 -1.333 1.00 0.00 C ATOM 295 CG2 VAL A 20 -3.309 -1.999 -0.021 1.00 0.00 C ATOM 0 H VAL A 20 -0.473 -1.674 0.065 1.00 0.00 H new ATOM 0 HA VAL A 20 -1.890 -3.734 1.326 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.771 -2.556 -1.443 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.854 -3.706 -2.059 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.487 -4.825 -1.842 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.734 -4.689 -0.580 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -4.016 -1.644 -0.771 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.854 -2.466 0.799 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.731 -1.157 0.360 1.00 0.00 H new ATOM 305 N HIS A 21 0.022 -4.790 -1.163 1.00 0.00 N ATOM 306 CA HIS A 21 0.617 -5.943 -1.815 1.00 0.00 C ATOM 307 C HIS A 21 1.613 -6.668 -0.909 1.00 0.00 C ATOM 308 O HIS A 21 1.725 -7.898 -0.970 1.00 0.00 O ATOM 309 CB HIS A 21 1.311 -5.406 -3.063 1.00 0.00 C ATOM 310 CG HIS A 21 0.431 -5.102 -4.250 1.00 0.00 C ATOM 311 ND1 HIS A 21 -0.919 -5.357 -4.403 1.00 0.00 N ATOM 312 CD2 HIS A 21 0.859 -4.444 -5.371 1.00 0.00 C ATOM 313 CE1 HIS A 21 -1.288 -4.860 -5.598 1.00 0.00 C ATOM 314 NE2 HIS A 21 -0.241 -4.292 -6.214 1.00 0.00 N ATOM 0 H HIS A 21 0.207 -3.915 -1.654 1.00 0.00 H new ATOM 0 HA HIS A 21 -0.147 -6.680 -2.060 1.00 0.00 H new ATOM 0 HB2 HIS A 21 1.842 -4.494 -2.791 1.00 0.00 H new ATOM 0 HB3 HIS A 21 2.062 -6.132 -3.374 1.00 0.00 H new ATOM 0 HD2 HIS A 21 1.865 -4.104 -5.567 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -2.287 -4.911 -6.004 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -0.248 -3.835 -7.126 1.00 0.00 H new ATOM 322 N LEU A 22 2.326 -5.913 -0.074 1.00 0.00 N ATOM 323 CA LEU A 22 3.279 -6.427 0.894 1.00 0.00 C ATOM 324 C LEU A 22 2.562 -7.006 2.110 1.00 0.00 C ATOM 325 O LEU A 22 2.837 -8.145 2.475 1.00 0.00 O ATOM 326 CB LEU A 22 4.267 -5.323 1.304 1.00 0.00 C ATOM 327 CG LEU A 22 5.281 -4.868 0.226 1.00 0.00 C ATOM 328 CD1 LEU A 22 5.804 -6.017 -0.646 1.00 0.00 C ATOM 329 CD2 LEU A 22 4.717 -3.778 -0.690 1.00 0.00 C ATOM 0 H LEU A 22 2.250 -4.896 -0.056 1.00 0.00 H new ATOM 0 HA LEU A 22 3.844 -7.236 0.430 1.00 0.00 H new ATOM 0 HB2 LEU A 22 3.693 -4.452 1.622 1.00 0.00 H new ATOM 0 HB3 LEU A 22 4.826 -5.671 2.173 1.00 0.00 H new ATOM 0 HG LEU A 22 6.114 -4.464 0.800 1.00 0.00 H new ATOM 0 HD11 LEU A 22 6.509 -5.626 -1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 22 6.305 -6.752 -0.017 1.00 0.00 H new ATOM 0 HD13 LEU A 22 4.969 -6.491 -1.163 1.00 0.00 H new ATOM 0 HD21 LEU A 22 5.469 -3.496 -1.427 1.00 0.00 H new ATOM 0 HD22 LEU A 22 3.832 -4.155 -1.202 1.00 0.00 H new ATOM 0 HD23 LEU A 22 4.448 -2.906 -0.095 1.00 0.00 H new ATOM 341 N LYS A 23 1.606 -6.298 2.721 1.00 0.00 N ATOM 342 CA LYS A 23 0.828 -6.865 3.825 1.00 0.00 C ATOM 343 C LYS A 23 0.061 -8.101 3.352 1.00 0.00 C ATOM 344 O LYS A 23 -0.142 -9.014 4.138 1.00 0.00 O ATOM 345 CB LYS A 23 -0.083 -5.797 4.461 1.00 0.00 C ATOM 346 CG LYS A 23 -0.821 -6.352 5.695 1.00 0.00 C ATOM 347 CD LYS A 23 -1.585 -5.301 6.516 1.00 0.00 C ATOM 348 CE LYS A 23 -0.638 -4.446 7.373 1.00 0.00 C ATOM 349 NZ LYS A 23 -1.368 -3.597 8.347 1.00 0.00 N ATOM 0 H LYS A 23 1.355 -5.341 2.472 1.00 0.00 H new ATOM 0 HA LYS A 23 1.507 -7.194 4.612 1.00 0.00 H new ATOM 0 HB2 LYS A 23 0.514 -4.932 4.750 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.809 -5.451 3.726 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -1.524 -7.117 5.366 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.096 -6.843 6.344 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -2.150 -4.655 5.844 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -2.308 -5.800 7.161 1.00 0.00 H new ATOM 0 HE2 LYS A 23 0.051 -5.098 7.909 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -0.036 -3.812 6.722 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -0.687 -3.040 8.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -2.007 -2.955 7.837 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -1.922 -4.201 8.987 1.00 0.00 H new ATOM 363 N ARG A 24 -0.311 -8.190 2.073 1.00 0.00 N ATOM 364 CA ARG A 24 -0.934 -9.379 1.500 1.00 0.00 C ATOM 365 C ARG A 24 0.020 -10.566 1.573 1.00 0.00 C ATOM 366 O ARG A 24 -0.447 -11.678 1.790 1.00 0.00 O ATOM 367 CB ARG A 24 -1.439 -9.053 0.080 1.00 0.00 C ATOM 368 CG ARG A 24 -1.914 -10.222 -0.811 1.00 0.00 C ATOM 369 CD ARG A 24 -0.839 -11.179 -1.368 1.00 0.00 C ATOM 370 NE ARG A 24 0.432 -10.503 -1.696 1.00 0.00 N ATOM 371 CZ ARG A 24 1.525 -11.062 -2.227 1.00 0.00 C ATOM 372 NH1 ARG A 24 1.528 -12.339 -2.607 1.00 0.00 N ATOM 373 NH2 ARG A 24 2.614 -10.312 -2.362 1.00 0.00 N ATOM 0 H ARG A 24 -0.186 -7.431 1.403 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.808 -9.677 2.079 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.265 -8.349 0.174 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -0.638 -8.536 -0.448 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -2.626 -10.815 -0.236 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.459 -9.801 -1.656 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -0.647 -11.964 -0.636 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -1.225 -11.666 -2.263 1.00 0.00 H new ATOM 0 HE ARG A 24 0.482 -9.504 -1.497 1.00 0.00 H new ATOM 0 HH11 ARG A 24 0.688 -12.906 -2.495 1.00 0.00 H new ATOM 0 HH12 ARG A 24 2.370 -12.749 -3.010 1.00 0.00 H new ATOM 0 HH21 ARG A 24 2.602 -9.337 -2.064 1.00 0.00 H new ATOM 0 HH22 ARG A 24 3.462 -10.712 -2.764 1.00 0.00 H new ATOM 387 N LEU A 25 1.329 -10.355 1.399 1.00 0.00 N ATOM 388 CA LEU A 25 2.310 -11.424 1.554 1.00 0.00 C ATOM 389 C LEU A 25 2.279 -11.930 2.988 1.00 0.00 C ATOM 390 O LEU A 25 2.241 -13.133 3.201 1.00 0.00 O ATOM 391 CB LEU A 25 3.721 -10.929 1.197 1.00 0.00 C ATOM 392 CG LEU A 25 4.767 -12.059 1.100 1.00 0.00 C ATOM 393 CD1 LEU A 25 4.477 -13.023 -0.059 1.00 0.00 C ATOM 394 CD2 LEU A 25 6.152 -11.438 0.892 1.00 0.00 C ATOM 0 H LEU A 25 1.730 -9.451 1.150 1.00 0.00 H new ATOM 0 HA LEU A 25 2.057 -12.237 0.873 1.00 0.00 H new ATOM 0 HB2 LEU A 25 3.681 -10.400 0.245 1.00 0.00 H new ATOM 0 HB3 LEU A 25 4.045 -10.209 1.948 1.00 0.00 H new ATOM 0 HG LEU A 25 4.725 -12.630 2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.241 -13.800 -0.086 1.00 0.00 H new ATOM 0 HD12 LEU A 25 3.498 -13.481 0.085 1.00 0.00 H new ATOM 0 HD13 LEU A 25 4.486 -12.473 -1.000 1.00 0.00 H new ATOM 0 HD21 LEU A 25 6.899 -12.229 0.822 1.00 0.00 H new ATOM 0 HD22 LEU A 25 6.155 -10.854 -0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 25 6.390 -10.788 1.734 1.00 0.00 H new ATOM 406 N LEU A 26 2.274 -11.005 3.951 1.00 0.00 N ATOM 407 CA LEU A 26 2.217 -11.342 5.375 1.00 0.00 C ATOM 408 C LEU A 26 0.921 -12.083 5.724 1.00 0.00 C ATOM 409 O LEU A 26 0.963 -13.066 6.454 1.00 0.00 O ATOM 410 CB LEU A 26 2.390 -10.073 6.229 1.00 0.00 C ATOM 411 CG LEU A 26 2.315 -10.324 7.751 1.00 0.00 C ATOM 412 CD1 LEU A 26 3.420 -11.265 8.247 1.00 0.00 C ATOM 413 CD2 LEU A 26 2.431 -8.979 8.480 1.00 0.00 C ATOM 0 H LEU A 26 2.309 -10.003 3.766 1.00 0.00 H new ATOM 0 HA LEU A 26 3.040 -12.020 5.600 1.00 0.00 H new ATOM 0 HB2 LEU A 26 3.352 -9.617 5.993 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.620 -9.353 5.952 1.00 0.00 H new ATOM 0 HG LEU A 26 1.360 -10.805 7.962 1.00 0.00 H new ATOM 0 HD11 LEU A 26 3.321 -11.407 9.323 1.00 0.00 H new ATOM 0 HD12 LEU A 26 3.331 -12.228 7.744 1.00 0.00 H new ATOM 0 HD13 LEU A 26 4.395 -10.829 8.027 1.00 0.00 H new ATOM 0 HD21 LEU A 26 2.379 -9.143 9.556 1.00 0.00 H new ATOM 0 HD22 LEU A 26 3.383 -8.510 8.230 1.00 0.00 H new ATOM 0 HD23 LEU A 26 1.613 -8.327 8.173 1.00 0.00 H new ATOM 425 N ILE A 27 -0.225 -11.621 5.214 1.00 0.00 N ATOM 426 CA ILE A 27 -1.519 -12.262 5.428 1.00 0.00 C ATOM 427 C ILE A 27 -1.463 -13.692 4.886 1.00 0.00 C ATOM 428 O ILE A 27 -1.893 -14.600 5.583 1.00 0.00 O ATOM 429 CB ILE A 27 -2.661 -11.415 4.813 1.00 0.00 C ATOM 430 CG1 ILE A 27 -2.860 -10.119 5.638 1.00 0.00 C ATOM 431 CG2 ILE A 27 -3.994 -12.188 4.757 1.00 0.00 C ATOM 432 CD1 ILE A 27 -3.652 -9.033 4.898 1.00 0.00 C ATOM 0 H ILE A 27 -0.277 -10.783 4.635 1.00 0.00 H new ATOM 0 HA ILE A 27 -1.740 -12.323 6.494 1.00 0.00 H new ATOM 0 HB ILE A 27 -2.368 -11.173 3.791 1.00 0.00 H new ATOM 0 HG12 ILE A 27 -3.377 -10.365 6.566 1.00 0.00 H new ATOM 0 HG13 ILE A 27 -1.884 -9.720 5.913 1.00 0.00 H new ATOM 0 HG21 ILE A 27 -4.764 -11.554 4.319 1.00 0.00 H new ATOM 0 HG22 ILE A 27 -3.870 -13.083 4.147 1.00 0.00 H new ATOM 0 HG23 ILE A 27 -4.291 -12.475 5.766 1.00 0.00 H new ATOM 0 HD11 ILE A 27 -3.751 -8.156 5.537 1.00 0.00 H new ATOM 0 HD12 ILE A 27 -3.126 -8.758 3.984 1.00 0.00 H new ATOM 0 HD13 ILE A 27 -4.642 -9.413 4.646 1.00 0.00 H new ATOM 444 N LEU A 28 -0.933 -13.904 3.678 1.00 0.00 N ATOM 445 CA LEU A 28 -0.757 -15.242 3.119 1.00 0.00 C ATOM 446 C LEU A 28 0.171 -16.088 3.984 1.00 0.00 C ATOM 447 O LEU A 28 -0.170 -17.215 4.310 1.00 0.00 O ATOM 448 CB LEU A 28 -0.305 -15.120 1.664 1.00 0.00 C ATOM 449 CG LEU A 28 -0.458 -16.415 0.853 1.00 0.00 C ATOM 450 CD1 LEU A 28 0.538 -17.499 1.243 1.00 0.00 C ATOM 451 CD2 LEU A 28 -1.874 -17.013 0.885 1.00 0.00 C ATOM 0 H LEU A 28 -0.616 -13.154 3.064 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.707 -15.776 3.121 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -0.880 -14.330 1.180 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.740 -14.812 1.643 1.00 0.00 H new ATOM 0 HG LEU A 28 -0.246 -16.089 -0.165 1.00 0.00 H new ATOM 0 HD11 LEU A 28 0.371 -18.384 0.629 1.00 0.00 H new ATOM 0 HD12 LEU A 28 1.553 -17.134 1.085 1.00 0.00 H new ATOM 0 HD13 LEU A 28 0.404 -17.755 2.294 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.897 -17.925 0.288 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -2.148 -17.246 1.914 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -2.582 -16.293 0.475 1.00 0.00 H new ATOM 463 N LEU A 29 1.326 -15.562 4.378 1.00 0.00 N ATOM 464 CA LEU A 29 2.253 -16.269 5.263 1.00 0.00 C ATOM 465 C LEU A 29 1.568 -16.734 6.555 1.00 0.00 C ATOM 466 O LEU A 29 1.879 -17.818 7.037 1.00 0.00 O ATOM 467 CB LEU A 29 3.484 -15.380 5.514 1.00 0.00 C ATOM 468 CG LEU A 29 4.574 -16.034 6.391 1.00 0.00 C ATOM 469 CD1 LEU A 29 5.959 -15.551 5.935 1.00 0.00 C ATOM 470 CD2 LEU A 29 4.422 -15.679 7.879 1.00 0.00 C ATOM 0 H LEU A 29 1.648 -14.636 4.095 1.00 0.00 H new ATOM 0 HA LEU A 29 2.591 -17.185 4.779 1.00 0.00 H new ATOM 0 HB2 LEU A 29 3.922 -15.107 4.554 1.00 0.00 H new ATOM 0 HB3 LEU A 29 3.158 -14.455 5.990 1.00 0.00 H new ATOM 0 HG LEU A 29 4.466 -17.113 6.276 1.00 0.00 H new ATOM 0 HD11 LEU A 29 6.728 -16.013 6.555 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.117 -15.830 4.893 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.017 -14.467 6.033 1.00 0.00 H new ATOM 0 HD21 LEU A 29 5.213 -16.164 8.451 1.00 0.00 H new ATOM 0 HD22 LEU A 29 4.494 -14.599 8.004 1.00 0.00 H new ATOM 0 HD23 LEU A 29 3.452 -16.022 8.238 1.00 0.00 H new ATOM 482 N LEU A 30 0.639 -15.944 7.100 1.00 0.00 N ATOM 483 CA LEU A 30 -0.166 -16.324 8.259 1.00 0.00 C ATOM 484 C LEU A 30 -1.232 -17.357 7.879 1.00 0.00 C ATOM 485 O LEU A 30 -1.406 -18.352 8.577 1.00 0.00 O ATOM 486 CB LEU A 30 -0.776 -15.056 8.873 1.00 0.00 C ATOM 487 CG LEU A 30 -1.476 -15.279 10.232 1.00 0.00 C ATOM 488 CD1 LEU A 30 -1.401 -13.986 11.058 1.00 0.00 C ATOM 489 CD2 LEU A 30 -2.958 -15.661 10.100 1.00 0.00 C ATOM 0 H LEU A 30 0.424 -15.013 6.743 1.00 0.00 H new ATOM 0 HA LEU A 30 0.466 -16.804 9.006 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.012 -14.314 9.001 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -1.497 -14.637 8.171 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.956 -16.108 10.713 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.894 -14.139 12.018 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.357 -13.720 11.224 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.899 -13.180 10.519 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -3.387 -15.802 11.092 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.494 -14.865 9.583 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -3.046 -16.587 9.531 1.00 0.00 H new ATOM 501 N LEU A 31 -1.969 -17.115 6.794 1.00 0.00 N ATOM 502 CA LEU A 31 -3.103 -17.892 6.327 1.00 0.00 C ATOM 503 C LEU A 31 -2.928 -18.225 4.851 1.00 0.00 C ATOM 504 O LEU A 31 -3.525 -17.608 3.971 1.00 0.00 O ATOM 505 CB LEU A 31 -4.408 -17.138 6.649 1.00 0.00 C ATOM 506 CG LEU A 31 -5.691 -17.915 6.298 1.00 0.00 C ATOM 507 CD1 LEU A 31 -5.848 -19.189 7.140 1.00 0.00 C ATOM 508 CD2 LEU A 31 -6.911 -17.014 6.527 1.00 0.00 C ATOM 0 H LEU A 31 -1.772 -16.321 6.185 1.00 0.00 H new ATOM 0 HA LEU A 31 -3.161 -18.848 6.847 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -4.422 -16.897 7.712 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -4.410 -16.192 6.108 1.00 0.00 H new ATOM 0 HG LEU A 31 -5.618 -18.211 5.252 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -6.767 -19.702 6.856 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.997 -19.847 6.966 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -5.892 -18.924 8.196 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -7.820 -17.562 6.279 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -6.946 -16.708 7.572 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -6.835 -16.131 5.892 1.00 0.00 H new HETATM 520 N NH2 A 32 -2.091 -19.218 4.571 1.00 0.00 N TER 523 NH2 A 32