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+ -119:sc= 0.0994 (180deg=0) 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 1.602 1.036 0.218 1.00 0.00 N ATOM 2 CA LEU A 1 0.580 0.003 0.095 1.00 0.00 C ATOM 3 C LEU A 1 0.159 -0.178 -1.360 1.00 0.00 C ATOM 4 O LEU A 1 0.638 0.527 -2.247 1.00 0.00 O ATOM 5 CB LEU A 1 -0.638 0.358 0.950 1.00 0.00 C ATOM 6 CG LEU A 1 -0.505 0.098 2.451 1.00 0.00 C ATOM 7 CD1 LEU A 1 -1.692 0.680 3.201 1.00 0.00 C ATOM 8 CD2 LEU A 1 -0.379 -1.394 2.724 1.00 0.00 C ATOM 0 H1 LEU A 1 2.469 0.621 0.614 1.00 0.00 H new ATOM 0 H2 LEU A 1 1.807 1.435 -0.720 1.00 0.00 H new ATOM 0 H3 LEU A 1 1.260 1.790 0.848 1.00 0.00 H new ATOM 0 HA LEU A 1 1.004 -0.936 0.450 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -0.864 1.414 0.803 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -1.494 -0.206 0.579 1.00 0.00 H new ATOM 0 HG LEU A 1 0.400 0.591 2.807 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -1.580 0.485 4.268 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -1.737 1.756 3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -2.611 0.217 2.843 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -0.285 -1.561 3.797 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -1.266 -1.908 2.353 1.00 0.00 H new ATOM 0 HD23 LEU A 1 0.504 -1.783 2.218 1.00 0.00 H new ATOM 20 N GLY A 2 -0.741 -1.127 -1.597 1.00 0.00 N ATOM 21 CA GLY A 2 -1.212 -1.382 -2.946 1.00 0.00 C ATOM 22 C GLY A 2 -2.164 -2.561 -3.014 1.00 0.00 C ATOM 23 O GLY A 2 -2.271 -3.336 -2.064 1.00 0.00 O ATOM 0 H GLY A 2 -1.152 -1.724 -0.879 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -1.713 -0.492 -3.327 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -0.358 -1.570 -3.596 1.00 0.00 H new ATOM 27 N ARG A 3 -2.856 -2.695 -4.140 1.00 0.00 N ATOM 28 CA ARG A 3 -3.806 -3.785 -4.328 1.00 0.00 C ATOM 29 C ARG A 3 -3.245 -4.837 -5.281 1.00 0.00 C ATOM 30 O ARG A 3 -2.518 -4.513 -6.220 1.00 0.00 O ATOM 31 CB ARG A 3 -5.132 -3.248 -4.868 1.00 0.00 C ATOM 32 CG ARG A 3 -5.620 -1.999 -4.152 1.00 0.00 C ATOM 33 CD ARG A 3 -7.034 -1.631 -4.574 1.00 0.00 C ATOM 34 NE ARG A 3 -7.743 -0.895 -3.531 1.00 0.00 N ATOM 35 CZ ARG A 3 -7.441 0.349 -3.175 1.00 0.00 C ATOM 36 NH1 ARG A 3 -6.449 0.992 -3.775 1.00 0.00 N ATOM 37 NH2 ARG A 3 -8.133 0.952 -2.216 1.00 0.00 N ATOM 0 H ARG A 3 -2.777 -2.062 -4.936 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.980 -4.253 -3.359 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -5.020 -3.028 -5.930 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.891 -4.026 -4.782 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -5.591 -2.161 -3.075 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.947 -1.169 -4.367 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -6.996 -1.028 -5.481 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -7.587 -2.538 -4.817 1.00 0.00 H new ATOM 0 HE ARG A 3 -8.512 -1.361 -3.050 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -5.915 0.532 -4.512 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -6.220 1.947 -3.499 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -8.897 0.460 -1.752 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -7.901 1.907 -1.943 1.00 0.00 H new ATOM 51 N VAL A 4 -3.588 -6.097 -5.032 1.00 0.00 N ATOM 52 CA VAL A 4 -3.119 -7.196 -5.868 1.00 0.00 C ATOM 53 C VAL A 4 -3.399 -6.923 -7.342 1.00 0.00 C ATOM 54 O VAL A 4 -2.511 -7.044 -8.186 1.00 0.00 O ATOM 55 CB VAL A 4 -3.783 -8.527 -5.469 1.00 0.00 C ATOM 56 CG1 VAL A 4 -3.222 -9.673 -6.297 1.00 0.00 C ATOM 57 CG2 VAL A 4 -3.594 -8.791 -3.982 1.00 0.00 C ATOM 0 H VAL A 4 -4.189 -6.382 -4.258 1.00 0.00 H new ATOM 0 HA VAL A 4 -2.043 -7.275 -5.714 1.00 0.00 H new ATOM 0 HB VAL A 4 -4.852 -8.455 -5.670 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -3.703 -10.605 -6.001 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -3.413 -9.486 -7.354 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -2.148 -9.750 -6.130 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -4.069 -9.735 -3.717 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.529 -8.844 -3.754 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -4.048 -7.983 -3.408 1.00 0.00 H new ATOM 67 N ASP A 5 -4.639 -6.554 -7.644 1.00 0.00 N ATOM 68 CA ASP A 5 -5.037 -6.263 -9.017 1.00 0.00 C ATOM 69 C ASP A 5 -5.870 -4.986 -9.081 1.00 0.00 C ATOM 70 O ASP A 5 -6.064 -4.309 -8.072 1.00 0.00 O ATOM 71 CB ASP A 5 -5.829 -7.434 -9.600 1.00 0.00 C ATOM 72 CG ASP A 5 -6.911 -7.926 -8.660 1.00 0.00 C ATOM 73 OD1 ASP A 5 -6.619 -8.816 -7.835 1.00 0.00 O ATOM 74 OD2 ASP A 5 -8.051 -7.423 -8.751 1.00 0.00 O ATOM 0 H ASP A 5 -5.386 -6.449 -6.957 1.00 0.00 H new ATOM 0 HA ASP A 5 -4.133 -6.116 -9.609 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -6.282 -7.129 -10.543 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -5.147 -8.254 -9.825 1.00 0.00 H new ATOM 79 N ILE A 6 -6.358 -4.664 -10.275 1.00 0.00 N ATOM 80 CA ILE A 6 -7.170 -3.470 -10.470 1.00 0.00 C ATOM 81 C ILE A 6 -8.596 -3.834 -10.870 1.00 0.00 C ATOM 82 O ILE A 6 -8.823 -4.819 -11.573 1.00 0.00 O ATOM 83 CB ILE A 6 -6.566 -2.549 -11.547 1.00 0.00 C ATOM 84 CG1 ILE A 6 -5.073 -2.338 -11.290 1.00 0.00 C ATOM 85 CG2 ILE A 6 -7.298 -1.216 -11.575 1.00 0.00 C ATOM 86 CD1 ILE A 6 -4.771 -1.759 -9.926 1.00 0.00 C ATOM 0 H ILE A 6 -6.205 -5.213 -11.121 1.00 0.00 H new ATOM 0 HA ILE A 6 -7.187 -2.940 -9.518 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.684 -3.026 -12.520 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.556 -3.292 -11.393 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.671 -1.674 -12.055 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -6.860 -0.576 -12.341 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.351 -1.384 -11.801 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.209 -0.731 -10.603 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.694 -1.636 -9.813 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -5.259 -0.789 -9.826 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.142 -2.433 -9.154 1.00 0.00 H new ATOM 98 N HIS A 7 -9.554 -3.031 -10.418 1.00 0.00 N ATOM 99 CA HIS A 7 -10.959 -3.267 -10.730 1.00 0.00 C ATOM 100 C HIS A 7 -11.194 -3.233 -12.237 1.00 0.00 C ATOM 101 O HIS A 7 -11.714 -4.187 -12.816 1.00 0.00 O ATOM 102 CB HIS A 7 -11.839 -2.222 -10.041 1.00 0.00 C ATOM 103 CG HIS A 7 -12.965 -2.814 -9.252 1.00 0.00 C ATOM 104 ND1 HIS A 7 -14.083 -3.371 -9.836 1.00 0.00 N ATOM 105 CD2 HIS A 7 -13.141 -2.936 -7.915 1.00 0.00 C ATOM 106 CE1 HIS A 7 -14.899 -3.808 -8.894 1.00 0.00 C ATOM 107 NE2 HIS A 7 -14.350 -3.557 -7.719 1.00 0.00 N ATOM 0 H HIS A 7 -9.383 -2.212 -9.835 1.00 0.00 H new ATOM 0 HA HIS A 7 -11.226 -4.257 -10.361 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -11.220 -1.618 -9.378 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -12.249 -1.550 -10.795 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -12.458 -2.606 -7.146 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -15.852 -4.289 -9.057 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -14.758 -3.787 -6.813 1.00 0.00 H new ATOM 115 N VAL A 8 -10.808 -2.128 -12.867 1.00 0.00 N ATOM 116 CA VAL A 8 -10.976 -1.970 -14.306 1.00 0.00 C ATOM 117 C VAL A 8 -10.097 -2.953 -15.073 1.00 0.00 C ATOM 118 O VAL A 8 -9.396 -3.769 -14.477 1.00 0.00 O ATOM 119 CB VAL A 8 -10.639 -0.537 -14.757 1.00 0.00 C ATOM 120 CG1 VAL A 8 -11.642 0.453 -14.186 1.00 0.00 C ATOM 121 CG2 VAL A 8 -9.221 -0.169 -14.345 1.00 0.00 C ATOM 0 H VAL A 8 -10.377 -1.329 -12.403 1.00 0.00 H new ATOM 0 HA VAL A 8 -12.024 -2.175 -14.527 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.701 -0.493 -15.844 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -11.387 1.460 -14.516 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.643 0.199 -14.535 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.616 0.410 -13.097 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.999 0.847 -14.672 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.130 -0.230 -13.261 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.517 -0.861 -14.807 1.00 0.00 H new ATOM 131 N TRP A 9 -10.141 -2.867 -16.397 1.00 0.00 N ATOM 132 CA TRP A 9 -9.348 -3.748 -17.247 1.00 0.00 C ATOM 133 C TRP A 9 -8.800 -2.994 -18.453 1.00 0.00 C ATOM 134 O TRP A 9 -9.557 -2.403 -19.223 1.00 0.00 O ATOM 135 CB TRP A 9 -10.191 -4.937 -17.712 1.00 0.00 C ATOM 136 CG TRP A 9 -9.422 -5.925 -18.536 1.00 0.00 C ATOM 137 CD1 TRP A 9 -9.722 -6.349 -19.798 1.00 0.00 C ATOM 138 CD2 TRP A 9 -8.227 -6.613 -18.153 1.00 0.00 C ATOM 139 NE1 TRP A 9 -8.786 -7.260 -20.224 1.00 0.00 N ATOM 140 CE2 TRP A 9 -7.857 -7.438 -19.233 1.00 0.00 C ATOM 141 CE3 TRP A 9 -7.431 -6.611 -17.004 1.00 0.00 C ATOM 142 CZ2 TRP A 9 -6.728 -8.253 -19.195 1.00 0.00 C ATOM 143 CZ3 TRP A 9 -6.311 -7.420 -16.967 1.00 0.00 C ATOM 144 CH2 TRP A 9 -5.968 -8.231 -18.057 1.00 0.00 C ATOM 0 H TRP A 9 -10.717 -2.196 -16.906 1.00 0.00 H new ATOM 0 HA TRP A 9 -8.506 -4.116 -16.660 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -10.602 -5.445 -16.840 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -11.036 -4.569 -18.294 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -10.571 -6.017 -20.377 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -8.783 -7.728 -21.130 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -7.687 -5.988 -16.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -6.462 -8.880 -20.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -5.690 -7.427 -16.083 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -5.086 -8.851 -17.998 1.00 0.00 H new ATOM 155 N ASP A 10 -7.482 -3.020 -18.613 1.00 0.00 N ATOM 156 CA ASP A 10 -6.833 -2.339 -19.728 1.00 0.00 C ATOM 157 C ASP A 10 -7.165 -0.850 -19.723 1.00 0.00 C ATOM 158 O ASP A 10 -7.405 -0.253 -20.772 1.00 0.00 O ATOM 159 CB ASP A 10 -7.263 -2.965 -21.055 1.00 0.00 C ATOM 160 CG ASP A 10 -6.273 -2.694 -22.171 1.00 0.00 C ATOM 161 OD1 ASP A 10 -5.586 -1.653 -22.114 1.00 0.00 O ATOM 162 OD2 ASP A 10 -6.186 -3.523 -23.102 1.00 0.00 O ATOM 0 H ASP A 10 -6.841 -3.505 -17.985 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.755 -2.453 -19.613 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.375 -4.042 -20.926 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.241 -2.574 -21.338 1.00 0.00 H new ATOM 167 N GLY A 11 -7.179 -0.256 -18.533 1.00 0.00 N ATOM 168 CA GLY A 11 -7.484 1.158 -18.414 1.00 0.00 C ATOM 169 C GLY A 11 -8.887 1.406 -17.897 1.00 0.00 C ATOM 170 O GLY A 11 -9.076 2.117 -16.909 1.00 0.00 O ATOM 0 H GLY A 11 -6.985 -0.729 -17.650 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.764 1.627 -17.743 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.369 1.635 -19.387 1.00 0.00 H new ATOM 174 N VAL A 12 -9.875 0.820 -18.566 1.00 0.00 N ATOM 175 CA VAL A 12 -11.269 0.982 -18.168 1.00 0.00 C ATOM 176 C VAL A 12 -12.029 -0.335 -18.280 1.00 0.00 C ATOM 177 O VAL A 12 -11.858 -1.082 -19.244 1.00 0.00 O ATOM 178 CB VAL A 12 -11.978 2.046 -19.027 1.00 0.00 C ATOM 179 CG1 VAL A 12 -11.377 3.421 -18.778 1.00 0.00 C ATOM 180 CG2 VAL A 12 -11.898 1.679 -20.502 1.00 0.00 C ATOM 0 H VAL A 12 -9.736 0.229 -19.386 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.265 1.309 -17.128 1.00 0.00 H new ATOM 0 HB VAL A 12 -13.029 2.078 -18.740 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.891 4.159 -19.394 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.491 3.683 -17.726 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.318 3.407 -19.036 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.404 2.441 -21.095 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.853 1.618 -20.806 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.380 0.715 -20.664 1.00 0.00 H new ATOM 190 N TYR A 13 -12.868 -0.613 -17.289 1.00 0.00 N ATOM 191 CA TYR A 13 -13.653 -1.841 -17.275 1.00 0.00 C ATOM 192 C TYR A 13 -14.538 -1.937 -18.514 1.00 0.00 C ATOM 193 O TYR A 13 -15.471 -1.151 -18.685 1.00 0.00 O ATOM 194 CB TYR A 13 -14.515 -1.906 -16.013 1.00 0.00 C ATOM 195 CG TYR A 13 -14.847 -3.315 -15.577 1.00 0.00 C ATOM 196 CD1 TYR A 13 -13.842 -4.218 -15.253 1.00 0.00 C ATOM 197 CD2 TYR A 13 -16.166 -3.745 -15.491 1.00 0.00 C ATOM 198 CE1 TYR A 13 -14.140 -5.507 -14.856 1.00 0.00 C ATOM 199 CE2 TYR A 13 -16.474 -5.031 -15.093 1.00 0.00 C ATOM 200 CZ TYR A 13 -15.458 -5.909 -14.777 1.00 0.00 C ATOM 201 OH TYR A 13 -15.760 -7.192 -14.382 1.00 0.00 O ATOM 0 H TYR A 13 -13.022 -0.005 -16.485 1.00 0.00 H new ATOM 0 HA TYR A 13 -12.961 -2.684 -17.279 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -13.995 -1.397 -15.202 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -15.443 -1.361 -16.189 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -12.810 -3.907 -15.313 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -16.964 -3.061 -15.740 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -13.346 -6.196 -14.609 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -17.505 -5.348 -15.029 1.00 0.00 H new ATOM 0 HH TYR A 13 -16.733 -7.313 -14.378 1.00 0.00 H new ATOM 211 N ILE A 14 -14.239 -2.904 -19.374 1.00 0.00 N ATOM 212 CA ILE A 14 -15.007 -3.104 -20.596 1.00 0.00 C ATOM 213 C ILE A 14 -16.350 -3.763 -20.300 1.00 0.00 C ATOM 214 O ILE A 14 -16.421 -4.746 -19.563 1.00 0.00 O ATOM 215 CB ILE A 14 -14.237 -3.969 -21.611 1.00 0.00 C ATOM 216 CG1 ILE A 14 -12.894 -3.319 -21.953 1.00 0.00 C ATOM 217 CG2 ILE A 14 -15.067 -4.177 -22.868 1.00 0.00 C ATOM 218 CD1 ILE A 14 -13.026 -1.921 -22.514 1.00 0.00 C ATOM 0 H ILE A 14 -13.470 -3.562 -19.247 1.00 0.00 H new ATOM 0 HA ILE A 14 -15.176 -2.117 -21.027 1.00 0.00 H new ATOM 0 HB ILE A 14 -14.044 -4.943 -21.163 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -12.277 -3.285 -21.055 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -12.370 -3.944 -22.676 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -14.509 -4.790 -23.575 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -15.999 -4.679 -22.609 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -15.289 -3.211 -23.322 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -12.036 -1.522 -22.733 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -13.616 -1.951 -23.430 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -13.521 -1.281 -21.784 1.00 0.00 H new ATOM 230 N ARG A 15 -17.413 -3.215 -20.880 1.00 0.00 N ATOM 231 CA ARG A 15 -18.754 -3.750 -20.679 1.00 0.00 C ATOM 232 C ARG A 15 -18.947 -5.044 -21.464 1.00 0.00 C ATOM 233 O ARG A 15 -18.578 -5.133 -22.634 1.00 0.00 O ATOM 234 CB ARG A 15 -19.805 -2.722 -21.102 1.00 0.00 C ATOM 235 CG ARG A 15 -21.138 -2.884 -20.390 1.00 0.00 C ATOM 236 CD ARG A 15 -22.056 -3.839 -21.136 1.00 0.00 C ATOM 237 NE ARG A 15 -22.713 -3.194 -22.269 1.00 0.00 N ATOM 238 CZ ARG A 15 -23.453 -3.847 -23.158 1.00 0.00 C ATOM 239 NH1 ARG A 15 -23.631 -5.156 -23.045 1.00 0.00 N ATOM 240 NH2 ARG A 15 -24.019 -3.189 -24.163 1.00 0.00 N ATOM 0 H ARG A 15 -17.371 -2.401 -21.493 1.00 0.00 H new ATOM 0 HA ARG A 15 -18.876 -3.968 -19.618 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -19.419 -1.721 -20.910 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -19.965 -2.801 -22.177 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -20.969 -3.255 -19.379 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -21.622 -1.912 -20.296 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -21.479 -4.694 -21.490 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -22.811 -4.225 -20.451 1.00 0.00 H new ATOM 0 HE ARG A 15 -22.597 -2.187 -22.384 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -23.199 -5.665 -22.274 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -24.200 -5.654 -23.729 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -23.886 -2.182 -24.253 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -24.587 -3.691 -24.845 1.00 0.00 H new ATOM 254 N GLY A 16 -19.527 -6.046 -20.810 1.00 0.00 N ATOM 255 CA GLY A 16 -19.758 -7.322 -21.462 1.00 0.00 C ATOM 256 C GLY A 16 -18.474 -7.969 -21.940 1.00 0.00 C ATOM 257 O GLY A 16 -17.974 -7.650 -23.018 1.00 0.00 O ATOM 0 H GLY A 16 -19.841 -5.997 -19.841 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -20.264 -7.994 -20.769 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -20.426 -7.177 -22.311 1.00 0.00 H new ATOM 261 N ARG A 17 -17.938 -8.881 -21.135 1.00 0.00 N ATOM 262 CA ARG A 17 -16.702 -9.573 -21.481 1.00 0.00 C ATOM 263 C ARG A 17 -16.996 -10.863 -22.241 1.00 0.00 C ATOM 264 O ARG A 17 -16.625 -11.006 -23.406 1.00 0.00 O ATOM 265 CB ARG A 17 -15.897 -9.885 -20.218 1.00 0.00 C ATOM 266 CG ARG A 17 -14.556 -10.543 -20.498 1.00 0.00 C ATOM 267 CD ARG A 17 -13.935 -11.104 -19.228 1.00 0.00 C ATOM 268 NE ARG A 17 -13.095 -10.121 -18.549 1.00 0.00 N ATOM 269 CZ ARG A 17 -12.394 -10.386 -17.452 1.00 0.00 C ATOM 270 NH1 ARG A 17 -12.432 -11.597 -16.913 1.00 0.00 N ATOM 271 NH2 ARG A 17 -11.653 -9.439 -16.892 1.00 0.00 N ATOM 0 H ARG A 17 -18.340 -9.158 -20.239 1.00 0.00 H new ATOM 0 HA ARG A 17 -16.116 -8.918 -22.125 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -15.730 -8.960 -19.666 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -16.486 -10.539 -19.574 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -14.687 -11.345 -21.225 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -13.879 -9.815 -20.945 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -14.725 -11.434 -18.553 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.339 -11.983 -19.474 1.00 0.00 H new ATOM 0 HE ARG A 17 -13.044 -9.180 -18.938 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -13.000 -12.328 -17.341 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -11.893 -11.798 -16.071 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -11.621 -8.506 -17.304 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -11.115 -9.644 -16.050 1.00 0.00 H new TER 285 ARG A 17