USER MOD reduce.3.24.130724 H: found=0, std=0, add=145, rem=0, adj=2 USER MOD reduce.3.24.130724 removed 142 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 1 LEU N :NH3+ -149:sc= -1.12 (180deg=-1.76!) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -6.576 -0.982 0.728 1.00 0.00 N ATOM 2 CA LEU A 1 -5.155 -0.663 0.800 1.00 0.00 C ATOM 3 C LEU A 1 -4.438 -1.073 -0.482 1.00 0.00 C ATOM 4 O LEU A 1 -3.293 -1.520 -0.450 1.00 0.00 O ATOM 5 CB LEU A 1 -4.515 -1.362 2.001 1.00 0.00 C ATOM 6 CG LEU A 1 -4.833 -0.766 3.373 1.00 0.00 C ATOM 7 CD1 LEU A 1 -6.116 -1.364 3.931 1.00 0.00 C ATOM 8 CD2 LEU A 1 -3.675 -0.992 4.334 1.00 0.00 C ATOM 0 H1 LEU A 1 -7.116 -0.290 1.286 1.00 0.00 H new ATOM 0 H2 LEU A 1 -6.890 -0.948 -0.263 1.00 0.00 H new ATOM 0 H3 LEU A 1 -6.737 -1.936 1.110 1.00 0.00 H new ATOM 0 HA LEU A 1 -5.057 0.416 0.920 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -4.830 -2.406 1.999 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -3.433 -1.355 1.866 1.00 0.00 H new ATOM 0 HG LEU A 1 -4.978 0.308 3.256 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -6.326 -0.928 4.908 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -6.942 -1.150 3.253 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -6.000 -2.443 4.033 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -3.919 -0.561 5.305 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -3.498 -2.062 4.445 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -2.777 -0.515 3.941 1.00 0.00 H new ATOM 20 N GLY A 2 -5.121 -0.914 -1.612 1.00 0.00 N ATOM 21 CA GLY A 2 -4.533 -1.271 -2.890 1.00 0.00 C ATOM 22 C GLY A 2 -4.995 -2.628 -3.383 1.00 0.00 C ATOM 23 O GLY A 2 -5.545 -3.419 -2.617 1.00 0.00 O ATOM 0 H GLY A 2 -6.070 -0.545 -1.665 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -4.791 -0.513 -3.629 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -3.447 -1.272 -2.799 1.00 0.00 H new ATOM 27 N ARG A 3 -4.773 -2.897 -4.665 1.00 0.00 N ATOM 28 CA ARG A 3 -5.173 -4.167 -5.259 1.00 0.00 C ATOM 29 C ARG A 3 -3.978 -5.107 -5.390 1.00 0.00 C ATOM 30 O ARG A 3 -2.839 -4.719 -5.130 1.00 0.00 O ATOM 31 CB ARG A 3 -5.806 -3.935 -6.633 1.00 0.00 C ATOM 32 CG ARG A 3 -7.037 -3.045 -6.593 1.00 0.00 C ATOM 33 CD ARG A 3 -8.287 -3.837 -6.243 1.00 0.00 C ATOM 34 NE ARG A 3 -8.328 -4.198 -4.828 1.00 0.00 N ATOM 35 CZ ARG A 3 -9.221 -5.031 -4.308 1.00 0.00 C ATOM 36 NH1 ARG A 3 -10.142 -5.588 -5.082 1.00 0.00 N ATOM 37 NH2 ARG A 3 -9.194 -5.310 -3.011 1.00 0.00 N ATOM 0 H ARG A 3 -4.318 -2.253 -5.312 1.00 0.00 H new ATOM 0 HA ARG A 3 -5.908 -4.631 -4.601 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -5.065 -3.486 -7.294 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -6.078 -4.898 -7.066 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -6.890 -2.252 -5.859 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -7.170 -2.563 -7.561 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -9.170 -3.249 -6.493 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -8.324 -4.742 -6.849 1.00 0.00 H new ATOM 0 HE ARG A 3 -7.632 -3.787 -4.205 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -10.165 -5.377 -6.080 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -10.827 -6.228 -4.680 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -8.486 -4.884 -2.412 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -9.881 -5.950 -2.613 1.00 0.00 H new ATOM 51 N VAL A 4 -4.246 -6.344 -5.794 1.00 0.00 N ATOM 52 CA VAL A 4 -3.194 -7.340 -5.960 1.00 0.00 C ATOM 53 C VAL A 4 -2.984 -7.678 -7.432 1.00 0.00 C ATOM 54 O VAL A 4 -2.020 -8.352 -7.794 1.00 0.00 O ATOM 55 CB VAL A 4 -3.517 -8.633 -5.189 1.00 0.00 C ATOM 56 CG1 VAL A 4 -2.317 -9.567 -5.186 1.00 0.00 C ATOM 57 CG2 VAL A 4 -3.955 -8.310 -3.768 1.00 0.00 C ATOM 0 H VAL A 4 -5.184 -6.681 -6.013 1.00 0.00 H new ATOM 0 HA VAL A 4 -2.280 -6.904 -5.556 1.00 0.00 H new ATOM 0 HB VAL A 4 -4.340 -9.140 -5.693 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -2.564 -10.475 -4.636 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.053 -9.824 -6.212 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.472 -9.072 -4.707 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.179 -9.235 -3.237 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -3.154 -7.781 -3.252 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.846 -7.682 -3.796 1.00 0.00 H new ATOM 67 N ASP A 5 -3.893 -7.204 -8.277 1.00 0.00 N ATOM 68 CA ASP A 5 -3.808 -7.455 -9.711 1.00 0.00 C ATOM 69 C ASP A 5 -4.513 -6.354 -10.498 1.00 0.00 C ATOM 70 O ASP A 5 -5.546 -5.837 -10.071 1.00 0.00 O ATOM 71 CB ASP A 5 -4.422 -8.814 -10.050 1.00 0.00 C ATOM 72 CG ASP A 5 -5.688 -9.091 -9.264 1.00 0.00 C ATOM 73 OD1 ASP A 5 -6.749 -8.549 -9.638 1.00 0.00 O ATOM 74 OD2 ASP A 5 -5.617 -9.849 -8.274 1.00 0.00 O ATOM 0 H ASP A 5 -4.697 -6.644 -7.994 1.00 0.00 H new ATOM 0 HA ASP A 5 -2.755 -7.461 -9.992 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -4.644 -8.853 -11.116 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -3.693 -9.599 -9.848 1.00 0.00 H new ATOM 79 N ILE A 6 -3.947 -6.001 -11.647 1.00 0.00 N ATOM 80 CA ILE A 6 -4.522 -4.962 -12.493 1.00 0.00 C ATOM 81 C ILE A 6 -5.975 -5.273 -12.836 1.00 0.00 C ATOM 82 O ILE A 6 -6.330 -6.424 -13.093 1.00 0.00 O ATOM 83 CB ILE A 6 -3.723 -4.793 -13.799 1.00 0.00 C ATOM 84 CG1 ILE A 6 -2.265 -4.447 -13.489 1.00 0.00 C ATOM 85 CG2 ILE A 6 -4.354 -3.718 -14.671 1.00 0.00 C ATOM 86 CD1 ILE A 6 -1.333 -5.636 -13.563 1.00 0.00 C ATOM 0 H ILE A 6 -3.092 -6.419 -12.013 1.00 0.00 H new ATOM 0 HA ILE A 6 -4.476 -4.032 -11.926 1.00 0.00 H new ATOM 0 HB ILE A 6 -3.745 -5.736 -14.346 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -1.924 -3.684 -14.189 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -2.207 -4.012 -12.491 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -3.778 -3.610 -15.590 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -5.378 -4.002 -14.915 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -4.359 -2.770 -14.133 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -0.317 -5.317 -13.332 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -1.649 -6.391 -12.843 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -1.361 -6.058 -14.567 1.00 0.00 H new ATOM 98 N HIS A 7 -6.811 -4.240 -12.841 1.00 0.00 N ATOM 99 CA HIS A 7 -8.226 -4.403 -13.155 1.00 0.00 C ATOM 100 C HIS A 7 -8.572 -3.717 -14.473 1.00 0.00 C ATOM 101 O HIS A 7 -9.194 -4.314 -15.351 1.00 0.00 O ATOM 102 CB HIS A 7 -9.089 -3.833 -12.029 1.00 0.00 C ATOM 103 CG HIS A 7 -10.487 -4.370 -12.016 1.00 0.00 C ATOM 104 ND1 HIS A 7 -10.853 -5.499 -11.314 1.00 0.00 N ATOM 105 CD2 HIS A 7 -11.612 -3.925 -12.623 1.00 0.00 C ATOM 106 CE1 HIS A 7 -12.142 -5.726 -11.492 1.00 0.00 C ATOM 107 NE2 HIS A 7 -12.627 -4.785 -12.281 1.00 0.00 N ATOM 0 H HIS A 7 -6.533 -3.281 -12.631 1.00 0.00 H new ATOM 0 HA HIS A 7 -8.430 -5.469 -13.255 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -8.615 -4.053 -11.072 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -9.126 -2.748 -12.124 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -11.696 -3.056 -13.258 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -12.704 -6.543 -11.064 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -13.597 -4.709 -12.587 1.00 0.00 H new ATOM 115 N VAL A 8 -8.164 -2.458 -14.605 1.00 0.00 N ATOM 116 CA VAL A 8 -8.431 -1.691 -15.816 1.00 0.00 C ATOM 117 C VAL A 8 -7.960 -2.442 -17.057 1.00 0.00 C ATOM 118 O VAL A 8 -7.126 -3.343 -16.970 1.00 0.00 O ATOM 119 CB VAL A 8 -7.742 -0.314 -15.771 1.00 0.00 C ATOM 120 CG1 VAL A 8 -8.222 0.484 -14.569 1.00 0.00 C ATOM 121 CG2 VAL A 8 -6.230 -0.476 -15.744 1.00 0.00 C ATOM 0 H VAL A 8 -7.648 -1.948 -13.888 1.00 0.00 H new ATOM 0 HA VAL A 8 -9.510 -1.548 -15.869 1.00 0.00 H new ATOM 0 HB VAL A 8 -8.010 0.237 -16.673 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -7.724 1.454 -14.554 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -9.300 0.630 -14.636 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -7.986 -0.059 -13.654 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.759 0.507 -15.712 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -5.941 -1.046 -14.861 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.905 -1.005 -16.640 1.00 0.00 H new ATOM 131 N TRP A 9 -8.500 -2.065 -18.210 1.00 0.00 N ATOM 132 CA TRP A 9 -8.135 -2.703 -19.470 1.00 0.00 C ATOM 133 C TRP A 9 -8.306 -1.738 -20.638 1.00 0.00 C ATOM 134 O TRP A 9 -9.402 -1.233 -20.883 1.00 0.00 O ATOM 135 CB TRP A 9 -8.985 -3.954 -19.697 1.00 0.00 C ATOM 136 CG TRP A 9 -8.523 -4.783 -20.856 1.00 0.00 C ATOM 137 CD1 TRP A 9 -7.234 -4.981 -21.260 1.00 0.00 C ATOM 138 CD2 TRP A 9 -9.348 -5.525 -21.761 1.00 0.00 C ATOM 139 NE1 TRP A 9 -7.207 -5.801 -22.362 1.00 0.00 N ATOM 140 CE2 TRP A 9 -8.491 -6.149 -22.689 1.00 0.00 C ATOM 141 CE3 TRP A 9 -10.726 -5.724 -21.878 1.00 0.00 C ATOM 142 CZ2 TRP A 9 -8.970 -6.956 -23.718 1.00 0.00 C ATOM 143 CZ3 TRP A 9 -11.200 -6.525 -22.899 1.00 0.00 C ATOM 144 CH2 TRP A 9 -10.324 -7.134 -23.808 1.00 0.00 C ATOM 0 H TRP A 9 -9.192 -1.321 -18.299 1.00 0.00 H new ATOM 0 HA TRP A 9 -7.085 -2.991 -19.412 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -8.969 -4.564 -18.794 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -10.020 -3.656 -19.862 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -6.363 -4.555 -20.783 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -6.367 -6.102 -22.856 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -11.409 -5.260 -21.182 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -8.297 -7.425 -24.420 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -12.264 -6.685 -22.998 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -10.725 -7.756 -24.595 1.00 0.00 H new ATOM 155 N ASP A 10 -7.217 -1.486 -21.356 1.00 0.00 N ATOM 156 CA ASP A 10 -7.248 -0.582 -22.500 1.00 0.00 C ATOM 157 C ASP A 10 -7.761 0.795 -22.091 1.00 0.00 C ATOM 158 O ASP A 10 -8.315 1.529 -22.907 1.00 0.00 O ATOM 159 CB ASP A 10 -8.127 -1.160 -23.610 1.00 0.00 C ATOM 160 CG ASP A 10 -7.426 -2.248 -24.397 1.00 0.00 C ATOM 161 OD1 ASP A 10 -7.435 -3.410 -23.940 1.00 0.00 O ATOM 162 OD2 ASP A 10 -6.866 -1.938 -25.470 1.00 0.00 O ATOM 0 H ASP A 10 -6.302 -1.895 -21.166 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.230 -0.473 -22.874 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -9.040 -1.563 -23.173 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.424 -0.360 -24.288 1.00 0.00 H new ATOM 167 N GLY A 11 -7.574 1.137 -20.820 1.00 0.00 N ATOM 168 CA GLY A 11 -8.025 2.425 -20.324 1.00 0.00 C ATOM 169 C GLY A 11 -9.343 2.330 -19.580 1.00 0.00 C ATOM 170 O GLY A 11 -9.494 2.894 -18.497 1.00 0.00 O ATOM 0 H GLY A 11 -7.118 0.546 -20.125 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -7.266 2.842 -19.661 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.132 3.116 -21.160 1.00 0.00 H new ATOM 174 N VAL A 12 -10.300 1.615 -20.164 1.00 0.00 N ATOM 175 CA VAL A 12 -11.612 1.449 -19.549 1.00 0.00 C ATOM 176 C VAL A 12 -11.616 0.280 -18.571 1.00 0.00 C ATOM 177 O VAL A 12 -11.025 -0.767 -18.836 1.00 0.00 O ATOM 178 CB VAL A 12 -12.704 1.221 -20.611 1.00 0.00 C ATOM 179 CG1 VAL A 12 -12.749 2.384 -21.590 1.00 0.00 C ATOM 180 CG2 VAL A 12 -12.469 -0.093 -21.342 1.00 0.00 C ATOM 0 H VAL A 12 -10.191 1.142 -21.061 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.828 2.371 -19.009 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.669 1.164 -20.108 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -13.526 2.205 -22.333 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.968 3.305 -21.051 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.785 2.477 -22.090 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -13.250 -0.239 -22.089 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -11.497 -0.067 -21.834 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.492 -0.916 -20.628 1.00 0.00 H new ATOM 190 N TYR A 13 -12.288 0.464 -17.440 1.00 0.00 N ATOM 191 CA TYR A 13 -12.368 -0.575 -16.421 1.00 0.00 C ATOM 192 C TYR A 13 -13.303 -1.698 -16.860 1.00 0.00 C ATOM 193 O TYR A 13 -14.309 -1.458 -17.527 1.00 0.00 O ATOM 194 CB TYR A 13 -12.852 0.017 -15.096 1.00 0.00 C ATOM 195 CG TYR A 13 -14.167 0.754 -15.207 1.00 0.00 C ATOM 196 CD1 TYR A 13 -15.375 0.068 -15.185 1.00 0.00 C ATOM 197 CD2 TYR A 13 -14.202 2.138 -15.333 1.00 0.00 C ATOM 198 CE1 TYR A 13 -16.579 0.738 -15.287 1.00 0.00 C ATOM 199 CE2 TYR A 13 -15.402 2.816 -15.434 1.00 0.00 C ATOM 200 CZ TYR A 13 -16.587 2.112 -15.411 1.00 0.00 C ATOM 201 OH TYR A 13 -17.784 2.783 -15.511 1.00 0.00 O ATOM 0 H TYR A 13 -12.785 1.323 -17.206 1.00 0.00 H new ATOM 0 HA TYR A 13 -11.370 -0.990 -16.283 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -12.955 -0.785 -14.365 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -12.093 0.700 -14.714 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -15.373 -1.007 -15.086 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -13.276 2.693 -15.352 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -17.509 0.189 -15.270 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -15.411 3.892 -15.530 1.00 0.00 H new ATOM 0 HH TYR A 13 -17.614 3.745 -15.591 1.00 0.00 H new ATOM 211 N ILE A 14 -12.961 -2.925 -16.481 1.00 0.00 N ATOM 212 CA ILE A 14 -13.770 -4.086 -16.834 1.00 0.00 C ATOM 213 C ILE A 14 -15.191 -3.948 -16.299 1.00 0.00 C ATOM 214 O ILE A 14 -15.403 -3.464 -15.188 1.00 0.00 O ATOM 215 CB ILE A 14 -13.153 -5.388 -16.290 1.00 0.00 C ATOM 216 CG1 ILE A 14 -11.728 -5.564 -16.821 1.00 0.00 C ATOM 217 CG2 ILE A 14 -14.016 -6.582 -16.668 1.00 0.00 C ATOM 218 CD1 ILE A 14 -11.658 -5.707 -18.326 1.00 0.00 C ATOM 0 H ILE A 14 -12.130 -3.141 -15.930 1.00 0.00 H new ATOM 0 HA ILE A 14 -13.797 -4.133 -17.923 1.00 0.00 H new ATOM 0 HB ILE A 14 -13.110 -5.325 -15.203 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -11.127 -4.707 -16.517 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -11.283 -6.445 -16.359 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -13.566 -7.494 -16.276 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -15.013 -6.458 -16.246 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -14.088 -6.650 -17.754 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -10.619 -5.828 -18.632 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -12.231 -6.581 -18.636 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -12.073 -4.815 -18.796 1.00 0.00 H new ATOM 230 N ARG A 15 -16.162 -4.380 -17.098 1.00 0.00 N ATOM 231 CA ARG A 15 -17.564 -4.306 -16.705 1.00 0.00 C ATOM 232 C ARG A 15 -18.363 -5.448 -17.325 1.00 0.00 C ATOM 233 O ARG A 15 -18.219 -5.749 -18.509 1.00 0.00 O ATOM 234 CB ARG A 15 -18.163 -2.963 -17.126 1.00 0.00 C ATOM 235 CG ARG A 15 -19.386 -2.561 -16.317 1.00 0.00 C ATOM 236 CD ARG A 15 -19.954 -1.231 -16.789 1.00 0.00 C ATOM 237 NE ARG A 15 -21.141 -0.844 -16.032 1.00 0.00 N ATOM 238 CZ ARG A 15 -22.332 -1.409 -16.194 1.00 0.00 C ATOM 239 NH1 ARG A 15 -22.494 -2.382 -17.080 1.00 0.00 N ATOM 240 NH2 ARG A 15 -23.365 -1.001 -15.467 1.00 0.00 N ATOM 0 H ARG A 15 -16.003 -4.785 -18.021 1.00 0.00 H new ATOM 0 HA ARG A 15 -17.617 -4.396 -15.620 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -17.402 -2.189 -17.028 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -18.435 -3.011 -18.180 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -20.150 -3.334 -16.401 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -19.119 -2.490 -15.263 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -19.193 -0.457 -16.691 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -20.205 -1.299 -17.847 1.00 0.00 H new ATOM 0 HE ARG A 15 -21.051 -0.099 -15.341 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -21.702 -2.699 -17.640 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -23.410 -2.814 -17.202 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -23.244 -0.253 -14.784 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -24.280 -1.435 -15.592 1.00 0.00 H new ATOM 254 N GLY A 16 -19.207 -6.081 -16.515 1.00 0.00 N ATOM 255 CA GLY A 16 -20.016 -7.183 -17.002 1.00 0.00 C ATOM 256 C GLY A 16 -19.184 -8.271 -17.652 1.00 0.00 C ATOM 257 O GLY A 16 -18.507 -9.038 -16.967 1.00 0.00 O ATOM 0 H GLY A 16 -19.345 -5.850 -15.531 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -20.581 -7.609 -16.173 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -20.742 -6.806 -17.722 1.00 0.00 H new ATOM 261 N ARG A 17 -19.234 -8.338 -18.979 1.00 0.00 N ATOM 262 CA ARG A 17 -18.481 -9.341 -19.722 1.00 0.00 C ATOM 263 C ARG A 17 -16.986 -9.039 -19.682 1.00 0.00 C ATOM 264 O ARG A 17 -16.404 -8.602 -20.675 1.00 0.00 O ATOM 265 CB ARG A 17 -18.962 -9.399 -21.173 1.00 0.00 C ATOM 266 CG ARG A 17 -18.469 -10.622 -21.929 1.00 0.00 C ATOM 267 CD ARG A 17 -18.446 -10.377 -23.430 1.00 0.00 C ATOM 268 NE ARG A 17 -17.402 -9.430 -23.813 1.00 0.00 N ATOM 269 CZ ARG A 17 -17.120 -9.118 -25.073 1.00 0.00 C ATOM 270 NH1 ARG A 17 -17.801 -9.674 -26.066 1.00 0.00 N ATOM 271 NH2 ARG A 17 -16.156 -8.247 -25.343 1.00 0.00 N ATOM 0 H ARG A 17 -19.788 -7.710 -19.561 1.00 0.00 H new ATOM 0 HA ARG A 17 -18.651 -10.309 -19.251 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -20.052 -9.389 -21.186 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -18.628 -8.501 -21.694 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -17.468 -10.884 -21.587 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -19.114 -11.472 -21.708 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -18.287 -11.322 -23.949 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -19.416 -9.997 -23.750 1.00 0.00 H new ATOM 0 HE ARG A 17 -16.860 -8.984 -23.073 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -18.544 -10.343 -25.863 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -17.582 -9.432 -27.033 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -15.630 -7.816 -24.582 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -15.941 -8.008 -26.311 1.00 0.00 H new TER 285 ARG A 17