USER MOD reduce.3.24.130724 H: found=0, std=0, add=153, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 153 hydrogens (14 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 NoAdj-H: A 1 PRO H2 : A 1 PRO N : A 18 DPR C :(H bumps) USER MOD NoAdj-H: A 1 PRO H3 : A 1 PRO N : A 18 DPR C :(H bumps) USER MOD NoAdj-H: A 9 DPR H : A 9 DPR N : A 8 ILE C :(H bumps) USER MOD NoAdj-H: A 18 DPR H : A 18 DPR N : A 17 ARG C :(H bumps) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 1 1.126 12.617 -1.974 1.00 0.00 N ATOM 2 CA PRO A 1 1.763 12.347 -3.245 1.00 0.00 C ATOM 3 C PRO A 1 2.405 10.949 -3.331 1.00 0.00 C ATOM 4 O PRO A 1 2.966 10.586 -4.373 1.00 0.00 O ATOM 5 CB PRO A 1 2.841 13.422 -3.301 1.00 0.00 C ATOM 6 CG PRO A 1 3.251 13.620 -1.883 1.00 0.00 C ATOM 7 CD PRO A 1 2.035 13.324 -1.042 1.00 0.00 C ATOM 0 HA PRO A 1 1.047 12.363 -4.067 1.00 0.00 H new ATOM 0 HB2 PRO A 1 3.683 13.106 -3.916 1.00 0.00 H new ATOM 0 HB3 PRO A 1 2.457 14.345 -3.735 1.00 0.00 H new ATOM 0 HG2 PRO A 1 4.075 12.956 -1.621 1.00 0.00 H new ATOM 0 HG3 PRO A 1 3.598 14.640 -1.718 1.00 0.00 H new ATOM 0 HD2 PRO A 1 2.285 12.705 -0.180 1.00 0.00 H new ATOM 0 HD3 PRO A 1 1.582 14.238 -0.657 1.00 0.00 H new ATOM 15 N VAL A 2 2.335 10.165 -2.264 1.00 0.00 N ATOM 16 CA VAL A 2 3.006 8.877 -2.272 1.00 0.00 C ATOM 17 C VAL A 2 2.021 7.728 -2.173 1.00 0.00 C ATOM 18 O VAL A 2 1.165 7.701 -1.291 1.00 0.00 O ATOM 19 CB VAL A 2 4.055 8.752 -1.136 1.00 0.00 C ATOM 20 CG1 VAL A 2 4.832 7.446 -1.258 1.00 0.00 C ATOM 21 CG2 VAL A 2 5.005 9.930 -1.141 1.00 0.00 C ATOM 0 H VAL A 2 1.834 10.391 -1.405 1.00 0.00 H new ATOM 0 HA VAL A 2 3.525 8.819 -3.229 1.00 0.00 H new ATOM 0 HB VAL A 2 3.518 8.749 -0.187 1.00 0.00 H new ATOM 0 HG11 VAL A 2 5.562 7.380 -0.451 1.00 0.00 H new ATOM 0 HG12 VAL A 2 4.142 6.605 -1.193 1.00 0.00 H new ATOM 0 HG13 VAL A 2 5.349 7.418 -2.217 1.00 0.00 H new ATOM 0 HG21 VAL A 2 5.730 9.817 -0.335 1.00 0.00 H new ATOM 0 HG22 VAL A 2 5.529 9.971 -2.096 1.00 0.00 H new ATOM 0 HG23 VAL A 2 4.442 10.852 -0.996 1.00 0.00 H new ATOM 31 N THR A 3 2.137 6.807 -3.077 1.00 0.00 N ATOM 32 CA THR A 3 1.347 5.623 -3.079 1.00 0.00 C ATOM 33 C THR A 3 2.117 4.530 -2.335 1.00 0.00 C ATOM 34 O THR A 3 3.163 4.078 -2.799 1.00 0.00 O ATOM 35 CB THR A 3 1.088 5.184 -4.530 1.00 0.00 C ATOM 36 OG1 THR A 3 0.547 6.301 -5.265 1.00 0.00 O ATOM 37 CG2 THR A 3 0.103 4.027 -4.578 1.00 0.00 C ATOM 0 H THR A 3 2.800 6.862 -3.851 1.00 0.00 H new ATOM 0 HA THR A 3 0.390 5.804 -2.589 1.00 0.00 H new ATOM 0 HB THR A 3 2.028 4.855 -4.973 1.00 0.00 H new ATOM 0 HG1 THR A 3 0.380 6.032 -6.192 1.00 0.00 H new ATOM 0 HG21 THR A 3 -0.064 3.734 -5.615 1.00 0.00 H new ATOM 0 HG22 THR A 3 0.508 3.181 -4.023 1.00 0.00 H new ATOM 0 HG23 THR A 3 -0.842 4.335 -4.131 1.00 0.00 H new ATOM 45 N TRP A 4 1.644 4.157 -1.172 1.00 0.00 N ATOM 46 CA TRP A 4 2.302 3.147 -0.384 1.00 0.00 C ATOM 47 C TRP A 4 1.641 1.815 -0.622 1.00 0.00 C ATOM 48 O TRP A 4 0.570 1.533 -0.078 1.00 0.00 O ATOM 49 CB TRP A 4 2.251 3.485 1.111 1.00 0.00 C ATOM 50 CG TRP A 4 2.895 4.783 1.471 1.00 0.00 C ATOM 51 CD1 TRP A 4 2.291 6.000 1.542 1.00 0.00 C ATOM 52 CD2 TRP A 4 4.265 4.996 1.817 1.00 0.00 C ATOM 53 NE1 TRP A 4 3.203 6.957 1.905 1.00 0.00 N ATOM 54 CE2 TRP A 4 4.418 6.368 2.081 1.00 0.00 C ATOM 55 CE3 TRP A 4 5.379 4.160 1.928 1.00 0.00 C ATOM 56 CZ2 TRP A 4 5.634 6.921 2.449 1.00 0.00 C ATOM 57 CZ3 TRP A 4 6.588 4.714 2.294 1.00 0.00 C ATOM 58 CH2 TRP A 4 6.705 6.083 2.551 1.00 0.00 C ATOM 0 H TRP A 4 0.799 4.541 -0.748 1.00 0.00 H new ATOM 0 HA TRP A 4 3.348 3.105 -0.688 1.00 0.00 H new ATOM 0 HB2 TRP A 4 1.209 3.509 1.431 1.00 0.00 H new ATOM 0 HB3 TRP A 4 2.737 2.685 1.669 1.00 0.00 H new ATOM 0 HD1 TRP A 4 1.246 6.185 1.342 1.00 0.00 H new ATOM 0 HE1 TRP A 4 3.004 7.950 2.024 1.00 0.00 H new ATOM 0 HE3 TRP A 4 5.295 3.101 1.731 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 5.730 7.978 2.648 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 7.458 4.080 2.383 1.00 0.00 H new ATOM 0 HH2 TRP A 4 7.665 6.486 2.837 1.00 0.00 H new ATOM 69 N CYS A 5 2.235 1.027 -1.453 1.00 0.00 N ATOM 70 CA CYS A 5 1.724 -0.280 -1.741 1.00 0.00 C ATOM 71 C CYS A 5 2.341 -1.282 -0.804 1.00 0.00 C ATOM 72 O CYS A 5 3.547 -1.536 -0.848 1.00 0.00 O ATOM 73 CB CYS A 5 1.968 -0.662 -3.203 1.00 0.00 C ATOM 74 SG CYS A 5 1.167 0.451 -4.418 1.00 0.00 S ATOM 0 H CYS A 5 3.090 1.267 -1.955 1.00 0.00 H new ATOM 0 HA CYS A 5 0.645 -0.276 -1.588 1.00 0.00 H new ATOM 0 HB2 CYS A 5 3.042 -0.671 -3.389 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.608 -1.678 -3.366 1.00 0.00 H new ATOM 79 N VAL A 6 1.542 -1.788 0.093 1.00 0.00 N ATOM 80 CA VAL A 6 1.986 -2.784 1.025 1.00 0.00 C ATOM 81 C VAL A 6 1.502 -4.152 0.577 1.00 0.00 C ATOM 82 O VAL A 6 0.376 -4.297 0.073 1.00 0.00 O ATOM 83 CB VAL A 6 1.539 -2.488 2.492 1.00 0.00 C ATOM 84 CG1 VAL A 6 2.183 -1.204 2.995 1.00 0.00 C ATOM 85 CG2 VAL A 6 0.018 -2.398 2.612 1.00 0.00 C ATOM 0 H VAL A 6 0.563 -1.521 0.198 1.00 0.00 H new ATOM 0 HA VAL A 6 3.076 -2.764 1.032 1.00 0.00 H new ATOM 0 HB VAL A 6 1.873 -3.321 3.111 1.00 0.00 H new ATOM 0 HG11 VAL A 6 1.861 -1.012 4.019 1.00 0.00 H new ATOM 0 HG12 VAL A 6 3.268 -1.307 2.969 1.00 0.00 H new ATOM 0 HG13 VAL A 6 1.882 -0.372 2.358 1.00 0.00 H new ATOM 0 HG21 VAL A 6 -0.254 -2.191 3.647 1.00 0.00 H new ATOM 0 HG22 VAL A 6 -0.351 -1.596 1.973 1.00 0.00 H new ATOM 0 HG23 VAL A 6 -0.428 -3.343 2.302 1.00 0.00 H new ATOM 95 N ARG A 7 2.352 -5.126 0.700 1.00 0.00 N ATOM 96 CA ARG A 7 2.037 -6.471 0.310 1.00 0.00 C ATOM 97 C ARG A 7 1.900 -7.338 1.527 1.00 0.00 C ATOM 98 O ARG A 7 2.717 -7.260 2.455 1.00 0.00 O ATOM 99 CB ARG A 7 3.118 -7.053 -0.596 1.00 0.00 C ATOM 100 CG ARG A 7 3.289 -6.341 -1.925 1.00 0.00 C ATOM 101 CD ARG A 7 4.287 -7.078 -2.798 1.00 0.00 C ATOM 102 NE ARG A 7 3.833 -8.445 -3.105 1.00 0.00 N ATOM 103 CZ ARG A 7 4.636 -9.478 -3.401 1.00 0.00 C ATOM 104 NH1 ARG A 7 5.954 -9.323 -3.391 1.00 0.00 N ATOM 105 NH2 ARG A 7 4.112 -10.666 -3.691 1.00 0.00 N ATOM 0 H ARG A 7 3.293 -5.011 1.077 1.00 0.00 H new ATOM 0 HA ARG A 7 1.096 -6.446 -0.240 1.00 0.00 H new ATOM 0 HB2 ARG A 7 4.069 -7.031 -0.063 1.00 0.00 H new ATOM 0 HB3 ARG A 7 2.885 -8.100 -0.789 1.00 0.00 H new ATOM 0 HG2 ARG A 7 2.328 -6.276 -2.436 1.00 0.00 H new ATOM 0 HG3 ARG A 7 3.630 -5.319 -1.756 1.00 0.00 H new ATOM 0 HD2 ARG A 7 4.436 -6.526 -3.726 1.00 0.00 H new ATOM 0 HD3 ARG A 7 5.252 -7.119 -2.293 1.00 0.00 H new ATOM 0 HE ARG A 7 2.828 -8.620 -3.091 1.00 0.00 H new ATOM 0 HH11 ARG A 7 6.359 -8.416 -3.158 1.00 0.00 H new ATOM 0 HH12 ARG A 7 6.562 -10.110 -3.617 1.00 0.00 H new ATOM 0 HH21 ARG A 7 3.100 -10.791 -3.688 1.00 0.00 H new ATOM 0 HH22 ARG A 7 4.723 -11.451 -3.916 1.00 0.00 H new ATOM 119 N ILE A 8 0.865 -8.127 1.544 1.00 0.00 N ATOM 120 CA ILE A 8 0.608 -9.076 2.601 1.00 0.00 C ATOM 121 C ILE A 8 0.113 -10.362 1.933 1.00 0.00 C ATOM 122 O ILE A 8 -1.060 -10.449 1.559 1.00 0.00 O ATOM 123 CB ILE A 8 -0.488 -8.570 3.601 1.00 0.00 C ATOM 124 CG1 ILE A 8 -0.144 -7.176 4.156 1.00 0.00 C ATOM 125 CG2 ILE A 8 -0.633 -9.561 4.750 1.00 0.00 C ATOM 126 CD1 ILE A 8 -1.203 -6.592 5.073 1.00 0.00 C ATOM 0 H ILE A 8 0.157 -8.133 0.809 1.00 0.00 H new ATOM 0 HA ILE A 8 1.522 -9.228 3.175 1.00 0.00 H new ATOM 0 HB ILE A 8 -1.430 -8.493 3.058 1.00 0.00 H new ATOM 0 HG12 ILE A 8 0.798 -7.237 4.700 1.00 0.00 H new ATOM 0 HG13 ILE A 8 0.014 -6.494 3.321 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -1.396 -9.206 5.443 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -0.926 -10.534 4.356 1.00 0.00 H new ATOM 0 HG23 ILE A 8 0.319 -9.653 5.274 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -0.882 -5.610 5.420 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -2.143 -6.496 4.529 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -1.346 -7.250 5.930 1.00 0.00 H new HETATM 138 N DPR A 9 1.004 -11.342 1.707 1.00 0.00 N HETATM 139 CA DPR A 9 0.644 -12.588 1.019 1.00 0.00 C HETATM 140 CB DPR A 9 1.959 -13.387 0.985 1.00 0.00 C HETATM 141 CG DPR A 9 3.033 -12.385 1.235 1.00 0.00 C HETATM 142 CD DPR A 9 2.424 -11.321 2.098 1.00 0.00 C HETATM 143 C DPR A 9 0.163 -12.295 -0.411 1.00 0.00 C HETATM 144 O DPR A 9 0.891 -11.680 -1.203 1.00 0.00 O HETATM 0 HG3 DPR A 9 3.887 -12.846 1.731 1.00 0.00 H new HETATM 0 HG2 DPR A 9 3.398 -11.964 0.298 1.00 0.00 H new HETATM 0 HD3 DPR A 9 2.877 -10.347 1.916 1.00 0.00 H new HETATM 0 HD2 DPR A 9 2.553 -11.540 3.158 1.00 0.00 H new HETATM 0 HB3 DPR A 9 1.965 -14.168 1.745 1.00 0.00 H new HETATM 0 HB2 DPR A 9 2.096 -13.879 0.022 1.00 0.00 H new HETATM 0 HA DPR A 9 -0.165 -13.123 1.517 1.00 0.00 H new ATOM 152 N PRO A 10 -1.071 -12.669 -0.758 1.00 0.00 N ATOM 153 CA PRO A 10 -1.613 -12.417 -2.081 1.00 0.00 C ATOM 154 C PRO A 10 -2.266 -11.034 -2.173 1.00 0.00 C ATOM 155 O PRO A 10 -2.698 -10.605 -3.239 1.00 0.00 O ATOM 156 CB PRO A 10 -2.661 -13.518 -2.234 1.00 0.00 C ATOM 157 CG PRO A 10 -3.159 -13.768 -0.847 1.00 0.00 C ATOM 158 CD PRO A 10 -2.039 -13.389 0.098 1.00 0.00 C ATOM 0 HA PRO A 10 -0.849 -12.426 -2.858 1.00 0.00 H new ATOM 0 HB2 PRO A 10 -3.470 -13.205 -2.894 1.00 0.00 H new ATOM 0 HB3 PRO A 10 -2.227 -14.419 -2.667 1.00 0.00 H new ATOM 0 HG2 PRO A 10 -4.052 -13.176 -0.645 1.00 0.00 H new ATOM 0 HG3 PRO A 10 -3.435 -14.815 -0.719 1.00 0.00 H new ATOM 0 HD2 PRO A 10 -2.399 -12.757 0.910 1.00 0.00 H new ATOM 0 HD3 PRO A 10 -1.588 -14.270 0.555 1.00 0.00 H new ATOM 166 N THR A 11 -2.313 -10.347 -1.063 1.00 0.00 N ATOM 167 CA THR A 11 -2.951 -9.077 -0.990 1.00 0.00 C ATOM 168 C THR A 11 -1.932 -7.958 -1.200 1.00 0.00 C ATOM 169 O THR A 11 -0.821 -7.999 -0.651 1.00 0.00 O ATOM 170 CB THR A 11 -3.596 -8.905 0.400 1.00 0.00 C ATOM 171 OG1 THR A 11 -4.350 -10.092 0.735 1.00 0.00 O ATOM 172 CG2 THR A 11 -4.523 -7.701 0.411 1.00 0.00 C ATOM 0 H THR A 11 -1.905 -10.662 -0.183 1.00 0.00 H new ATOM 0 HA THR A 11 -3.712 -9.024 -1.768 1.00 0.00 H new ATOM 0 HB THR A 11 -2.805 -8.749 1.134 1.00 0.00 H new ATOM 0 HG1 THR A 11 -4.758 -9.982 1.619 1.00 0.00 H new ATOM 0 HG21 THR A 11 -4.970 -7.595 1.400 1.00 0.00 H new ATOM 0 HG22 THR A 11 -3.955 -6.802 0.171 1.00 0.00 H new ATOM 0 HG23 THR A 11 -5.310 -7.841 -0.330 1.00 0.00 H new ATOM 180 N VAL A 12 -2.278 -7.015 -2.025 1.00 0.00 N ATOM 181 CA VAL A 12 -1.491 -5.833 -2.197 1.00 0.00 C ATOM 182 C VAL A 12 -2.408 -4.623 -2.052 1.00 0.00 C ATOM 183 O VAL A 12 -3.448 -4.518 -2.726 1.00 0.00 O ATOM 184 CB VAL A 12 -0.689 -5.820 -3.546 1.00 0.00 C ATOM 185 CG1 VAL A 12 -1.597 -5.950 -4.766 1.00 0.00 C ATOM 186 CG2 VAL A 12 0.190 -4.576 -3.647 1.00 0.00 C ATOM 0 H VAL A 12 -3.120 -7.046 -2.601 1.00 0.00 H new ATOM 0 HA VAL A 12 -0.723 -5.803 -1.424 1.00 0.00 H new ATOM 0 HB VAL A 12 -0.044 -6.698 -3.539 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -0.992 -5.936 -5.673 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -2.147 -6.889 -4.712 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -2.301 -5.118 -4.786 1.00 0.00 H new ATOM 0 HG21 VAL A 12 0.735 -4.591 -4.591 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -0.435 -3.684 -3.603 1.00 0.00 H new ATOM 0 HG23 VAL A 12 0.899 -4.563 -2.819 1.00 0.00 H new ATOM 196 N ARG A 13 -2.089 -3.768 -1.132 1.00 0.00 N ATOM 197 CA ARG A 13 -2.912 -2.630 -0.866 1.00 0.00 C ATOM 198 C ARG A 13 -2.127 -1.360 -1.087 1.00 0.00 C ATOM 199 O ARG A 13 -1.143 -1.100 -0.395 1.00 0.00 O ATOM 200 CB ARG A 13 -3.464 -2.689 0.567 1.00 0.00 C ATOM 201 CG ARG A 13 -4.438 -1.567 0.918 1.00 0.00 C ATOM 202 CD ARG A 13 -5.682 -1.601 0.029 1.00 0.00 C ATOM 203 NE ARG A 13 -6.432 -2.850 0.181 1.00 0.00 N ATOM 204 CZ ARG A 13 -7.311 -3.350 -0.697 1.00 0.00 C ATOM 205 NH1 ARG A 13 -7.587 -2.698 -1.835 1.00 0.00 N ATOM 206 NH2 ARG A 13 -7.919 -4.505 -0.429 1.00 0.00 N ATOM 0 H ARG A 13 -1.256 -3.838 -0.547 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.757 -2.638 -1.554 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -3.965 -3.646 0.710 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -2.628 -2.659 1.266 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -4.735 -1.656 1.963 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.939 -0.604 0.809 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.327 -0.758 0.277 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.386 -1.480 -1.013 1.00 0.00 H new ATOM 0 HE ARG A 13 -6.270 -3.388 1.033 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -7.126 -1.812 -2.040 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -8.258 -3.088 -2.496 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -7.713 -5.000 0.439 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.590 -4.894 -1.092 1.00 0.00 H new ATOM 220 N CYS A 14 -2.522 -0.616 -2.070 1.00 0.00 N ATOM 221 CA CYS A 14 -1.912 0.641 -2.353 1.00 0.00 C ATOM 222 C CYS A 14 -2.651 1.748 -1.655 1.00 0.00 C ATOM 223 O CYS A 14 -3.751 2.148 -2.048 1.00 0.00 O ATOM 224 CB CYS A 14 -1.796 0.871 -3.849 1.00 0.00 C ATOM 225 SG CYS A 14 -0.695 -0.331 -4.675 1.00 0.00 S ATOM 0 H CYS A 14 -3.282 -0.866 -2.703 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.894 0.633 -1.964 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.788 0.814 -4.297 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.423 1.879 -4.028 1.00 0.00 H new ATOM 230 N THR A 15 -2.078 2.175 -0.580 1.00 0.00 N ATOM 231 CA THR A 15 -2.618 3.211 0.216 1.00 0.00 C ATOM 232 C THR A 15 -1.880 4.503 -0.120 1.00 0.00 C ATOM 233 O THR A 15 -0.694 4.651 0.171 1.00 0.00 O ATOM 234 CB THR A 15 -2.416 2.860 1.690 1.00 0.00 C ATOM 235 OG1 THR A 15 -2.829 1.493 1.901 1.00 0.00 O ATOM 236 CG2 THR A 15 -3.251 3.763 2.567 1.00 0.00 C ATOM 0 H THR A 15 -1.198 1.799 -0.227 1.00 0.00 H new ATOM 0 HA THR A 15 -3.684 3.334 0.023 1.00 0.00 H new ATOM 0 HB THR A 15 -1.365 2.989 1.947 1.00 0.00 H new ATOM 0 HG1 THR A 15 -2.703 1.255 2.843 1.00 0.00 H new ATOM 0 HG21 THR A 15 -3.095 3.500 3.613 1.00 0.00 H new ATOM 0 HG22 THR A 15 -2.956 4.800 2.406 1.00 0.00 H new ATOM 0 HG23 THR A 15 -4.305 3.642 2.315 1.00 0.00 H new ATOM 244 N VAL A 16 -2.555 5.401 -0.754 1.00 0.00 N ATOM 245 CA VAL A 16 -1.951 6.627 -1.180 1.00 0.00 C ATOM 246 C VAL A 16 -2.065 7.695 -0.101 1.00 0.00 C ATOM 247 O VAL A 16 -3.153 8.026 0.374 1.00 0.00 O ATOM 248 CB VAL A 16 -2.501 7.119 -2.566 1.00 0.00 C ATOM 249 CG1 VAL A 16 -4.009 7.336 -2.545 1.00 0.00 C ATOM 250 CG2 VAL A 16 -1.777 8.376 -3.042 1.00 0.00 C ATOM 0 H VAL A 16 -3.542 5.310 -0.994 1.00 0.00 H new ATOM 0 HA VAL A 16 -0.890 6.429 -1.335 1.00 0.00 H new ATOM 0 HB VAL A 16 -2.299 6.321 -3.281 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.341 7.676 -3.526 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -4.508 6.399 -2.297 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -4.258 8.089 -1.797 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -2.184 8.688 -4.004 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -1.917 9.174 -2.313 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -0.713 8.165 -3.149 1.00 0.00 H new ATOM 260 N ARG A 17 -0.939 8.180 0.318 1.00 0.00 N ATOM 261 CA ARG A 17 -0.863 9.209 1.303 1.00 0.00 C ATOM 262 C ARG A 17 -0.272 10.433 0.653 1.00 0.00 C ATOM 263 O ARG A 17 0.951 10.483 0.383 1.00 0.00 O ATOM 264 CB ARG A 17 -0.024 8.772 2.503 1.00 0.00 C ATOM 265 CG ARG A 17 -0.585 7.580 3.258 1.00 0.00 C ATOM 266 CD ARG A 17 -1.980 7.857 3.784 1.00 0.00 C ATOM 267 NE ARG A 17 -2.481 6.744 4.580 1.00 0.00 N ATOM 268 CZ ARG A 17 -3.760 6.395 4.717 1.00 0.00 C ATOM 269 NH1 ARG A 17 -4.717 7.033 4.040 1.00 0.00 N ATOM 270 NH2 ARG A 17 -4.076 5.390 5.512 1.00 0.00 N ATOM 0 H ARG A 17 -0.030 7.865 -0.022 1.00 0.00 H new ATOM 0 HA ARG A 17 -1.861 9.428 1.681 1.00 0.00 H new ATOM 0 HB2 ARG A 17 0.981 8.529 2.159 1.00 0.00 H new ATOM 0 HB3 ARG A 17 0.069 9.612 3.191 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -0.610 6.711 2.600 1.00 0.00 H new ATOM 0 HG3 ARG A 17 0.075 7.332 4.089 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -1.968 8.763 4.390 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -2.655 8.041 2.948 1.00 0.00 H new ATOM 0 HE ARG A 17 -1.791 6.181 5.077 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -4.473 7.797 3.409 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -5.692 6.757 4.153 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -3.344 4.888 6.015 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -5.052 5.115 5.623 1.00 0.00 H new HETATM 284 N DPR A 18 -1.127 11.411 0.324 1.00 0.00 N HETATM 285 CA DPR A 18 -0.706 12.622 -0.351 1.00 0.00 C HETATM 286 CB DPR A 18 -2.000 13.445 -0.487 1.00 0.00 C HETATM 287 CG DPR A 18 -3.107 12.465 -0.327 1.00 0.00 C HETATM 288 CD DPR A 18 -2.583 11.403 0.586 1.00 0.00 C HETATM 289 C DPR A 18 -0.135 12.289 -1.729 1.00 0.00 C HETATM 290 O DPR A 18 -0.817 11.692 -2.566 1.00 0.00 O HETATM 0 HG3 DPR A 18 -3.992 12.941 0.094 1.00 0.00 H new HETATM 0 HG2 DPR A 18 -3.399 12.044 -1.289 1.00 0.00 H new HETATM 0 HD3 DPR A 18 -3.025 10.431 0.367 1.00 0.00 H new HETATM 0 HD2 DPR A 18 -2.804 11.626 1.630 1.00 0.00 H new HETATM 0 HB3 DPR A 18 -2.052 14.225 0.273 1.00 0.00 H new HETATM 0 HB2 DPR A 18 -2.051 13.941 -1.456 1.00 0.00 H new HETATM 0 HA DPR A 18 0.075 13.157 0.189 1.00 0.00 H new TER 298 DPR A 18