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+ -123:sc= -0.636 (180deg=-2.42!) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.066) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 2.636 -0.111 -3.460 1.00 0.00 N ATOM 2 CA LEU A 1 2.966 -0.228 -4.876 1.00 0.00 C ATOM 3 C LEU A 1 1.720 -0.529 -5.703 1.00 0.00 C ATOM 4 O LEU A 1 1.372 0.220 -6.615 1.00 0.00 O ATOM 5 CB LEU A 1 4.010 -1.325 -5.087 1.00 0.00 C ATOM 6 CG LEU A 1 5.470 -0.908 -4.905 1.00 0.00 C ATOM 7 CD1 LEU A 1 5.868 0.114 -5.959 1.00 0.00 C ATOM 8 CD2 LEU A 1 5.694 -0.350 -3.507 1.00 0.00 C ATOM 0 H1 LEU A 1 2.940 0.819 -3.108 1.00 0.00 H new ATOM 0 H2 LEU A 1 1.608 -0.210 -3.334 1.00 0.00 H new ATOM 0 H3 LEU A 1 3.124 -0.859 -2.927 1.00 0.00 H new ATOM 0 HA LEU A 1 3.377 0.725 -5.208 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.797 -2.139 -4.394 1.00 0.00 H new ATOM 0 HB3 LEU A 1 3.890 -1.724 -6.094 1.00 0.00 H new ATOM 0 HG LEU A 1 6.099 -1.790 -5.028 1.00 0.00 H new ATOM 0 HD11 LEU A 1 6.910 0.399 -5.814 1.00 0.00 H new ATOM 0 HD12 LEU A 1 5.745 -0.320 -6.951 1.00 0.00 H new ATOM 0 HD13 LEU A 1 5.234 0.996 -5.868 1.00 0.00 H new ATOM 0 HD21 LEU A 1 6.738 -0.058 -3.395 1.00 0.00 H new ATOM 0 HD22 LEU A 1 5.056 0.521 -3.356 1.00 0.00 H new ATOM 0 HD23 LEU A 1 5.449 -1.112 -2.767 1.00 0.00 H new ATOM 20 N GLY A 2 1.051 -1.630 -5.375 1.00 0.00 N ATOM 21 CA GLY A 2 -0.151 -2.010 -6.095 1.00 0.00 C ATOM 22 C GLY A 2 -1.397 -1.909 -5.238 1.00 0.00 C ATOM 23 O GLY A 2 -1.383 -1.275 -4.183 1.00 0.00 O ATOM 0 H GLY A 2 1.320 -2.266 -4.624 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -0.263 -1.371 -6.971 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -0.045 -3.032 -6.458 1.00 0.00 H new ATOM 27 N ARG A 3 -2.478 -2.535 -5.693 1.00 0.00 N ATOM 28 CA ARG A 3 -3.739 -2.511 -4.961 1.00 0.00 C ATOM 29 C ARG A 3 -4.143 -3.917 -4.529 1.00 0.00 C ATOM 30 O ARG A 3 -3.714 -4.908 -5.121 1.00 0.00 O ATOM 31 CB ARG A 3 -4.841 -1.894 -5.824 1.00 0.00 C ATOM 32 CG ARG A 3 -4.430 -0.597 -6.502 1.00 0.00 C ATOM 33 CD ARG A 3 -4.171 0.505 -5.486 1.00 0.00 C ATOM 34 NE ARG A 3 -3.743 1.747 -6.123 1.00 0.00 N ATOM 35 CZ ARG A 3 -3.658 2.909 -5.485 1.00 0.00 C ATOM 36 NH1 ARG A 3 -3.968 2.987 -4.198 1.00 0.00 N ATOM 37 NH2 ARG A 3 -3.260 3.996 -6.133 1.00 0.00 N ATOM 0 H ARG A 3 -2.506 -3.065 -6.564 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.602 -1.901 -4.068 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -5.140 -2.614 -6.586 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.716 -1.707 -5.202 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -3.531 -0.764 -7.096 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -5.213 -0.281 -7.191 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -5.078 0.687 -4.910 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -3.406 0.177 -4.782 1.00 0.00 H new ATOM 0 HE ARG A 3 -3.496 1.721 -7.112 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -4.273 2.153 -3.695 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -3.902 3.881 -3.711 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -3.019 3.940 -7.122 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -3.195 4.888 -5.642 1.00 0.00 H new ATOM 51 N VAL A 4 -4.973 -3.997 -3.493 1.00 0.00 N ATOM 52 CA VAL A 4 -5.436 -5.281 -2.982 1.00 0.00 C ATOM 53 C VAL A 4 -6.015 -6.141 -4.099 1.00 0.00 C ATOM 54 O VAL A 4 -5.584 -7.275 -4.310 1.00 0.00 O ATOM 55 CB VAL A 4 -6.503 -5.097 -1.886 1.00 0.00 C ATOM 56 CG1 VAL A 4 -6.988 -6.447 -1.381 1.00 0.00 C ATOM 57 CG2 VAL A 4 -5.953 -4.257 -0.743 1.00 0.00 C ATOM 0 H VAL A 4 -5.338 -3.187 -2.992 1.00 0.00 H new ATOM 0 HA VAL A 4 -4.568 -5.783 -2.554 1.00 0.00 H new ATOM 0 HB VAL A 4 -7.354 -4.570 -2.317 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -7.741 -6.297 -0.607 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -7.423 -7.009 -2.207 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -6.148 -7.004 -0.966 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -6.720 -4.137 0.022 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -5.084 -4.754 -0.311 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -5.660 -3.277 -1.120 1.00 0.00 H new ATOM 67 N ASP A 5 -6.993 -5.595 -4.813 1.00 0.00 N ATOM 68 CA ASP A 5 -7.630 -6.311 -5.912 1.00 0.00 C ATOM 69 C ASP A 5 -8.173 -5.338 -6.953 1.00 0.00 C ATOM 70 O ASP A 5 -8.794 -4.331 -6.611 1.00 0.00 O ATOM 71 CB ASP A 5 -8.761 -7.196 -5.383 1.00 0.00 C ATOM 72 CG ASP A 5 -8.245 -8.423 -4.658 1.00 0.00 C ATOM 73 OD1 ASP A 5 -7.892 -9.410 -5.338 1.00 0.00 O ATOM 74 OD2 ASP A 5 -8.193 -8.397 -3.411 1.00 0.00 O ATOM 0 H ASP A 5 -7.362 -4.658 -4.650 1.00 0.00 H new ATOM 0 HA ASP A 5 -6.878 -6.940 -6.388 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -9.387 -6.614 -4.707 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -9.393 -7.508 -6.214 1.00 0.00 H new ATOM 79 N ILE A 6 -7.934 -5.645 -8.224 1.00 0.00 N ATOM 80 CA ILE A 6 -8.400 -4.797 -9.314 1.00 0.00 C ATOM 81 C ILE A 6 -9.688 -5.341 -9.922 1.00 0.00 C ATOM 82 O ILE A 6 -9.827 -6.546 -10.134 1.00 0.00 O ATOM 83 CB ILE A 6 -7.337 -4.670 -10.421 1.00 0.00 C ATOM 84 CG1 ILE A 6 -6.035 -4.109 -9.847 1.00 0.00 C ATOM 85 CG2 ILE A 6 -7.850 -3.786 -11.549 1.00 0.00 C ATOM 86 CD1 ILE A 6 -5.090 -5.174 -9.337 1.00 0.00 C ATOM 0 H ILE A 6 -7.421 -6.474 -8.524 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.590 -3.812 -8.888 1.00 0.00 H new ATOM 0 HB ILE A 6 -7.135 -5.662 -10.826 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.530 -3.525 -10.617 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.272 -3.425 -9.032 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.088 -3.706 -12.324 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.753 -4.225 -11.973 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -8.077 -2.794 -11.159 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.189 -4.703 -8.945 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -5.576 -5.743 -8.545 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.823 -5.845 -10.154 1.00 0.00 H new ATOM 98 N HIS A 7 -10.629 -4.445 -10.201 1.00 0.00 N ATOM 99 CA HIS A 7 -11.907 -4.834 -10.787 1.00 0.00 C ATOM 100 C HIS A 7 -11.926 -4.549 -12.286 1.00 0.00 C ATOM 101 O HIS A 7 -12.244 -5.424 -13.091 1.00 0.00 O ATOM 102 CB HIS A 7 -13.054 -4.093 -10.100 1.00 0.00 C ATOM 103 CG HIS A 7 -13.986 -4.995 -9.351 1.00 0.00 C ATOM 104 ND1 HIS A 7 -15.062 -5.625 -9.941 1.00 0.00 N ATOM 105 CD2 HIS A 7 -13.997 -5.374 -8.051 1.00 0.00 C ATOM 106 CE1 HIS A 7 -15.695 -6.350 -9.036 1.00 0.00 C ATOM 107 NE2 HIS A 7 -15.069 -6.215 -7.881 1.00 0.00 N ATOM 0 H HIS A 7 -10.531 -3.444 -10.031 1.00 0.00 H new ATOM 0 HA HIS A 7 -12.036 -5.906 -10.637 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -12.639 -3.358 -9.410 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -13.620 -3.541 -10.850 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -13.293 -5.071 -7.290 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -16.575 -6.951 -9.211 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -15.338 -6.663 -7.005 1.00 0.00 H new ATOM 115 N VAL A 8 -11.585 -3.318 -12.654 1.00 0.00 N ATOM 116 CA VAL A 8 -11.563 -2.917 -14.055 1.00 0.00 C ATOM 117 C VAL A 8 -10.496 -3.684 -14.829 1.00 0.00 C ATOM 118 O VAL A 8 -9.835 -4.568 -14.285 1.00 0.00 O ATOM 119 CB VAL A 8 -11.302 -1.406 -14.203 1.00 0.00 C ATOM 120 CG1 VAL A 8 -12.364 -0.606 -13.464 1.00 0.00 C ATOM 121 CG2 VAL A 8 -9.910 -1.055 -13.699 1.00 0.00 C ATOM 0 H VAL A 8 -11.320 -2.581 -12.000 1.00 0.00 H new ATOM 0 HA VAL A 8 -12.545 -3.150 -14.466 1.00 0.00 H new ATOM 0 HB VAL A 8 -11.357 -1.146 -15.260 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.163 0.459 -13.580 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -13.346 -0.837 -13.876 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.345 -0.866 -12.406 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -9.742 0.016 -13.811 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.824 -1.328 -12.647 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -9.165 -1.601 -14.277 1.00 0.00 H new ATOM 131 N TRP A 9 -10.335 -3.340 -16.102 1.00 0.00 N ATOM 132 CA TRP A 9 -9.347 -3.996 -16.951 1.00 0.00 C ATOM 133 C TRP A 9 -8.914 -3.079 -18.090 1.00 0.00 C ATOM 134 O TRP A 9 -9.729 -2.679 -18.921 1.00 0.00 O ATOM 135 CB TRP A 9 -9.916 -5.298 -17.517 1.00 0.00 C ATOM 136 CG TRP A 9 -8.978 -5.999 -18.453 1.00 0.00 C ATOM 137 CD1 TRP A 9 -8.807 -5.745 -19.784 1.00 0.00 C ATOM 138 CD2 TRP A 9 -8.085 -7.070 -18.128 1.00 0.00 C ATOM 139 NE1 TRP A 9 -7.861 -6.594 -20.306 1.00 0.00 N ATOM 140 CE2 TRP A 9 -7.402 -7.416 -19.311 1.00 0.00 C ATOM 141 CE3 TRP A 9 -7.795 -7.769 -16.954 1.00 0.00 C ATOM 142 CZ2 TRP A 9 -6.449 -8.430 -19.350 1.00 0.00 C ATOM 143 CZ3 TRP A 9 -6.849 -8.776 -16.995 1.00 0.00 C ATOM 144 CH2 TRP A 9 -6.185 -9.098 -18.186 1.00 0.00 C ATOM 0 H TRP A 9 -10.875 -2.611 -16.569 1.00 0.00 H new ATOM 0 HA TRP A 9 -8.473 -4.224 -16.341 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -10.163 -5.967 -16.693 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -10.847 -5.082 -18.041 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -9.337 -4.989 -20.344 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -7.551 -6.610 -21.278 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -8.301 -7.527 -16.031 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -5.936 -8.680 -20.267 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -6.618 -9.324 -16.094 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -5.450 -9.889 -18.185 1.00 0.00 H new ATOM 155 N ASP A 10 -7.627 -2.751 -18.123 1.00 0.00 N ATOM 156 CA ASP A 10 -7.086 -1.883 -19.161 1.00 0.00 C ATOM 157 C ASP A 10 -7.733 -0.502 -19.108 1.00 0.00 C ATOM 158 O ASP A 10 -7.827 0.190 -20.120 1.00 0.00 O ATOM 159 CB ASP A 10 -7.300 -2.507 -20.541 1.00 0.00 C ATOM 160 CG ASP A 10 -6.295 -2.011 -21.563 1.00 0.00 C ATOM 161 OD1 ASP A 10 -5.098 -1.912 -21.219 1.00 0.00 O ATOM 162 OD2 ASP A 10 -6.705 -1.724 -22.706 1.00 0.00 O ATOM 0 H ASP A 10 -6.939 -3.074 -17.442 1.00 0.00 H new ATOM 0 HA ASP A 10 -6.016 -1.770 -18.984 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.228 -3.592 -20.461 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.308 -2.279 -20.887 1.00 0.00 H new ATOM 167 N GLY A 11 -8.181 -0.110 -17.918 1.00 0.00 N ATOM 168 CA GLY A 11 -8.815 1.185 -17.755 1.00 0.00 C ATOM 169 C GLY A 11 -10.328 1.100 -17.810 1.00 0.00 C ATOM 170 O GLY A 11 -11.021 1.709 -16.995 1.00 0.00 O ATOM 0 H GLY A 11 -8.116 -0.666 -17.065 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -8.513 1.617 -16.801 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.463 1.859 -18.536 1.00 0.00 H new ATOM 174 N VAL A 12 -10.842 0.344 -18.775 1.00 0.00 N ATOM 175 CA VAL A 12 -12.282 0.183 -18.934 1.00 0.00 C ATOM 176 C VAL A 12 -12.810 -0.941 -18.049 1.00 0.00 C ATOM 177 O VAL A 12 -12.192 -2.001 -17.939 1.00 0.00 O ATOM 178 CB VAL A 12 -12.656 -0.113 -20.398 1.00 0.00 C ATOM 179 CG1 VAL A 12 -12.193 1.016 -21.306 1.00 0.00 C ATOM 180 CG2 VAL A 12 -12.063 -1.442 -20.841 1.00 0.00 C ATOM 0 H VAL A 12 -10.282 -0.166 -19.458 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.741 1.125 -18.633 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.741 -0.184 -20.471 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -12.466 0.789 -22.337 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.670 1.947 -21.001 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -11.111 1.122 -21.232 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.337 -1.635 -21.878 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.977 -1.403 -20.754 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.449 -2.241 -20.209 1.00 0.00 H new ATOM 190 N TYR A 13 -13.956 -0.704 -17.421 1.00 0.00 N ATOM 191 CA TYR A 13 -14.567 -1.696 -16.544 1.00 0.00 C ATOM 192 C TYR A 13 -15.080 -2.889 -17.345 1.00 0.00 C ATOM 193 O TYR A 13 -15.908 -2.737 -18.244 1.00 0.00 O ATOM 194 CB TYR A 13 -15.714 -1.069 -15.751 1.00 0.00 C ATOM 195 CG TYR A 13 -16.328 -2.003 -14.733 1.00 0.00 C ATOM 196 CD1 TYR A 13 -15.534 -2.689 -13.822 1.00 0.00 C ATOM 197 CD2 TYR A 13 -17.703 -2.201 -14.683 1.00 0.00 C ATOM 198 CE1 TYR A 13 -16.091 -3.544 -12.891 1.00 0.00 C ATOM 199 CE2 TYR A 13 -18.268 -3.053 -13.754 1.00 0.00 C ATOM 200 CZ TYR A 13 -17.458 -3.722 -12.860 1.00 0.00 C ATOM 201 OH TYR A 13 -18.017 -4.573 -11.935 1.00 0.00 O ATOM 0 H TYR A 13 -14.481 0.167 -17.503 1.00 0.00 H new ATOM 0 HA TYR A 13 -13.804 -2.048 -15.850 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -15.347 -0.179 -15.240 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -16.488 -0.742 -16.445 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -14.463 -2.551 -13.842 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -18.340 -1.680 -15.382 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -15.459 -4.070 -12.191 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -19.338 -3.195 -13.728 1.00 0.00 H new ATOM 0 HH TYR A 13 -18.991 -4.584 -12.047 1.00 0.00 H new ATOM 211 N ILE A 14 -14.583 -4.075 -17.011 1.00 0.00 N ATOM 212 CA ILE A 14 -14.991 -5.295 -17.697 1.00 0.00 C ATOM 213 C ILE A 14 -14.638 -5.237 -19.179 1.00 0.00 C ATOM 214 O ILE A 14 -15.341 -4.611 -19.972 1.00 0.00 O ATOM 215 CB ILE A 14 -16.505 -5.542 -17.551 1.00 0.00 C ATOM 216 CG1 ILE A 14 -16.906 -5.528 -16.075 1.00 0.00 C ATOM 217 CG2 ILE A 14 -16.890 -6.864 -18.198 1.00 0.00 C ATOM 218 CD1 ILE A 14 -16.181 -6.561 -15.241 1.00 0.00 C ATOM 0 H ILE A 14 -13.897 -4.217 -16.270 1.00 0.00 H new ATOM 0 HA ILE A 14 -14.449 -6.117 -17.229 1.00 0.00 H new ATOM 0 HB ILE A 14 -17.040 -4.741 -18.061 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -16.710 -4.538 -15.663 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -17.980 -5.699 -15.997 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -17.962 -7.025 -18.087 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -16.635 -6.839 -19.257 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -16.349 -7.677 -17.714 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -16.516 -6.493 -14.206 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -16.397 -7.557 -15.627 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -15.107 -6.378 -15.288 1.00 0.00 H new ATOM 230 N ARG A 15 -13.543 -5.895 -19.547 1.00 0.00 N ATOM 231 CA ARG A 15 -13.096 -5.920 -20.934 1.00 0.00 C ATOM 232 C ARG A 15 -14.229 -6.347 -21.863 1.00 0.00 C ATOM 233 O ARG A 15 -15.026 -7.221 -21.525 1.00 0.00 O ATOM 234 CB ARG A 15 -11.907 -6.869 -21.092 1.00 0.00 C ATOM 235 CG ARG A 15 -12.294 -8.338 -21.074 1.00 0.00 C ATOM 236 CD ARG A 15 -11.071 -9.237 -21.164 1.00 0.00 C ATOM 237 NE ARG A 15 -11.434 -10.650 -21.242 1.00 0.00 N ATOM 238 CZ ARG A 15 -11.797 -11.374 -20.189 1.00 0.00 C ATOM 239 NH1 ARG A 15 -11.846 -10.822 -18.985 1.00 0.00 N ATOM 240 NH2 ARG A 15 -12.114 -12.654 -20.341 1.00 0.00 N ATOM 0 H ARG A 15 -12.949 -6.418 -18.903 1.00 0.00 H new ATOM 0 HA ARG A 15 -12.786 -4.912 -21.208 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -11.398 -6.647 -22.030 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -11.193 -6.680 -20.290 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -12.843 -8.560 -20.159 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -12.964 -8.549 -21.907 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.485 -8.964 -22.042 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.436 -9.073 -20.293 1.00 0.00 H new ATOM 0 HE ARG A 15 -11.407 -11.105 -22.154 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.605 -9.838 -18.865 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.125 -11.381 -18.179 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -12.079 -13.082 -21.266 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -12.393 -13.210 -19.532 1.00 0.00 H new ATOM 254 N GLY A 16 -14.293 -5.723 -23.035 1.00 0.00 N ATOM 255 CA GLY A 16 -15.332 -6.052 -23.994 1.00 0.00 C ATOM 256 C GLY A 16 -16.725 -5.894 -23.418 1.00 0.00 C ATOM 257 O GLY A 16 -17.598 -6.729 -23.649 1.00 0.00 O ATOM 0 H GLY A 16 -13.645 -4.996 -23.338 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -15.230 -5.411 -24.870 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -15.197 -7.079 -24.333 1.00 0.00 H new ATOM 261 N ARG A 17 -16.932 -4.819 -22.664 1.00 0.00 N ATOM 262 CA ARG A 17 -18.228 -4.556 -22.050 1.00 0.00 C ATOM 263 C ARG A 17 -19.328 -4.496 -23.106 1.00 0.00 C ATOM 264 O ARG A 17 -19.697 -3.418 -23.571 1.00 0.00 O ATOM 265 CB ARG A 17 -18.187 -3.243 -21.266 1.00 0.00 C ATOM 266 CG ARG A 17 -19.380 -3.046 -20.345 1.00 0.00 C ATOM 267 CD ARG A 17 -19.226 -1.796 -19.493 1.00 0.00 C ATOM 268 NE ARG A 17 -20.170 -1.773 -18.378 1.00 0.00 N ATOM 269 CZ ARG A 17 -20.298 -0.746 -17.545 1.00 0.00 C ATOM 270 NH1 ARG A 17 -19.548 0.336 -17.700 1.00 0.00 N ATOM 271 NH2 ARG A 17 -21.180 -0.801 -16.555 1.00 0.00 N ATOM 0 H ARG A 17 -16.220 -4.117 -22.464 1.00 0.00 H new ATOM 0 HA ARG A 17 -18.450 -5.374 -21.365 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -17.272 -3.212 -20.674 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -18.140 -2.411 -21.969 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -20.291 -2.973 -20.939 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -19.490 -3.917 -19.699 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -18.208 -1.744 -19.107 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -19.377 -0.913 -20.114 1.00 0.00 H new ATOM 0 HE ARG A 17 -20.763 -2.590 -18.231 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -18.870 0.382 -18.461 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -19.649 1.123 -17.059 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -21.759 -1.632 -16.434 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -21.278 -0.013 -15.915 1.00 0.00 H new TER 285 ARG A 17