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+ -142:sc= -0.162 (180deg=-1.67!) 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 1.879 0.254 1.391 1.00 0.00 N ATOM 2 CA LEU A 1 0.450 0.175 1.110 1.00 0.00 C ATOM 3 C LEU A 1 0.193 0.100 -0.391 1.00 0.00 C ATOM 4 O LEU A 1 0.802 0.830 -1.173 1.00 0.00 O ATOM 5 CB LEU A 1 -0.274 1.384 1.704 1.00 0.00 C ATOM 6 CG LEU A 1 -0.618 1.298 3.191 1.00 0.00 C ATOM 7 CD1 LEU A 1 0.585 1.680 4.040 1.00 0.00 C ATOM 8 CD2 LEU A 1 -1.808 2.190 3.516 1.00 0.00 C ATOM 0 H1 LEU A 1 2.097 -0.305 2.240 1.00 0.00 H new ATOM 0 H2 LEU A 1 2.413 -0.123 0.582 1.00 0.00 H new ATOM 0 H3 LEU A 1 2.147 1.246 1.551 1.00 0.00 H new ATOM 0 HA LEU A 1 0.064 -0.734 1.571 1.00 0.00 H new ATOM 0 HB2 LEU A 1 0.346 2.267 1.546 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -1.198 1.539 1.147 1.00 0.00 H new ATOM 0 HG LEU A 1 -0.888 0.268 3.423 1.00 0.00 H new ATOM 0 HD11 LEU A 1 0.321 1.613 5.096 1.00 0.00 H new ATOM 0 HD12 LEU A 1 1.410 1.000 3.828 1.00 0.00 H new ATOM 0 HD13 LEU A 1 0.886 2.701 3.805 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -2.039 2.116 4.579 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -1.566 3.224 3.268 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -2.672 1.870 2.934 1.00 0.00 H new ATOM 20 N GLY A 2 -0.714 -0.787 -0.788 1.00 0.00 N ATOM 21 CA GLY A 2 -1.037 -0.939 -2.195 1.00 0.00 C ATOM 22 C GLY A 2 -1.830 -2.200 -2.475 1.00 0.00 C ATOM 23 O GLY A 2 -1.897 -3.098 -1.635 1.00 0.00 O ATOM 0 H GLY A 2 -1.231 -1.403 -0.161 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -1.608 -0.073 -2.529 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -0.115 -0.957 -2.776 1.00 0.00 H new ATOM 27 N ARG A 3 -2.434 -2.268 -3.657 1.00 0.00 N ATOM 28 CA ARG A 3 -3.229 -3.427 -4.044 1.00 0.00 C ATOM 29 C ARG A 3 -2.532 -4.221 -5.145 1.00 0.00 C ATOM 30 O ARG A 3 -1.865 -3.651 -6.008 1.00 0.00 O ATOM 31 CB ARG A 3 -4.615 -2.986 -4.517 1.00 0.00 C ATOM 32 CG ARG A 3 -5.266 -1.950 -3.616 1.00 0.00 C ATOM 33 CD ARG A 3 -6.768 -1.878 -3.842 1.00 0.00 C ATOM 34 NE ARG A 3 -7.478 -2.951 -3.150 1.00 0.00 N ATOM 35 CZ ARG A 3 -8.781 -3.174 -3.281 1.00 0.00 C ATOM 36 NH1 ARG A 3 -9.512 -2.404 -4.075 1.00 0.00 N ATOM 37 NH2 ARG A 3 -9.354 -4.170 -2.618 1.00 0.00 N ATOM 0 H ARG A 3 -2.388 -1.534 -4.363 1.00 0.00 H new ATOM 0 HA ARG A 3 -3.338 -4.070 -3.170 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -4.533 -2.578 -5.525 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.263 -3.860 -4.579 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -5.066 -2.196 -2.573 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.822 -0.973 -3.804 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -7.141 -0.914 -3.495 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -6.977 -1.935 -4.910 1.00 0.00 H new ATOM 0 HE ARG A 3 -6.944 -3.562 -2.532 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -9.074 -1.638 -4.587 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -10.512 -2.577 -4.174 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -8.794 -4.765 -2.007 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -10.355 -4.341 -2.719 1.00 0.00 H new ATOM 51 N VAL A 4 -2.691 -5.540 -5.107 1.00 0.00 N ATOM 52 CA VAL A 4 -2.079 -6.413 -6.101 1.00 0.00 C ATOM 53 C VAL A 4 -2.404 -5.948 -7.516 1.00 0.00 C ATOM 54 O VAL A 4 -1.514 -5.806 -8.354 1.00 0.00 O ATOM 55 CB VAL A 4 -2.545 -7.871 -5.932 1.00 0.00 C ATOM 56 CG1 VAL A 4 -1.897 -8.764 -6.979 1.00 0.00 C ATOM 57 CG2 VAL A 4 -2.235 -8.370 -4.529 1.00 0.00 C ATOM 0 H VAL A 4 -3.239 -6.027 -4.398 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.002 -6.364 -5.944 1.00 0.00 H new ATOM 0 HB VAL A 4 -3.625 -7.908 -6.076 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -2.238 -9.790 -6.844 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.174 -8.418 -7.975 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -0.813 -8.725 -6.870 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -2.571 -9.402 -4.427 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -1.160 -8.319 -4.354 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -2.751 -7.747 -3.799 1.00 0.00 H new ATOM 67 N ASP A 5 -3.686 -5.711 -7.775 1.00 0.00 N ATOM 68 CA ASP A 5 -4.130 -5.260 -9.089 1.00 0.00 C ATOM 69 C ASP A 5 -5.256 -4.239 -8.961 1.00 0.00 C ATOM 70 O ASP A 5 -5.657 -3.878 -7.854 1.00 0.00 O ATOM 71 CB ASP A 5 -4.596 -6.450 -9.929 1.00 0.00 C ATOM 72 CG ASP A 5 -3.441 -7.190 -10.574 1.00 0.00 C ATOM 73 OD1 ASP A 5 -2.876 -6.668 -11.558 1.00 0.00 O ATOM 74 OD2 ASP A 5 -3.102 -8.292 -10.095 1.00 0.00 O ATOM 0 H ASP A 5 -4.435 -5.824 -7.092 1.00 0.00 H new ATOM 0 HA ASP A 5 -3.286 -4.782 -9.587 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -5.158 -7.139 -9.298 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -5.277 -6.099 -10.704 1.00 0.00 H new ATOM 79 N ILE A 6 -5.761 -3.777 -10.099 1.00 0.00 N ATOM 80 CA ILE A 6 -6.841 -2.799 -10.114 1.00 0.00 C ATOM 81 C ILE A 6 -8.153 -3.434 -10.563 1.00 0.00 C ATOM 82 O ILE A 6 -8.160 -4.368 -11.366 1.00 0.00 O ATOM 83 CB ILE A 6 -6.514 -1.613 -11.041 1.00 0.00 C ATOM 84 CG1 ILE A 6 -5.104 -1.091 -10.758 1.00 0.00 C ATOM 85 CG2 ILE A 6 -7.541 -0.504 -10.865 1.00 0.00 C ATOM 86 CD1 ILE A 6 -4.894 -0.665 -9.322 1.00 0.00 C ATOM 0 H ILE A 6 -5.439 -4.064 -11.023 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.948 -2.433 -9.093 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.553 -1.957 -12.075 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.381 -1.868 -11.007 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.901 -0.244 -11.413 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.296 0.327 -11.527 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.533 -0.884 -11.111 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.531 -0.159 -9.831 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.873 -0.306 -9.195 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -5.593 0.134 -9.074 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -5.065 -1.515 -8.662 1.00 0.00 H new ATOM 98 N HIS A 7 -9.262 -2.920 -10.042 1.00 0.00 N ATOM 99 CA HIS A 7 -10.581 -3.435 -10.391 1.00 0.00 C ATOM 100 C HIS A 7 -10.762 -3.483 -11.905 1.00 0.00 C ATOM 101 O HIS A 7 -10.993 -4.547 -12.480 1.00 0.00 O ATOM 102 CB HIS A 7 -11.673 -2.570 -9.762 1.00 0.00 C ATOM 103 CG HIS A 7 -12.997 -3.262 -9.653 1.00 0.00 C ATOM 104 ND1 HIS A 7 -13.419 -3.904 -8.508 1.00 0.00 N ATOM 105 CD2 HIS A 7 -13.997 -3.408 -10.554 1.00 0.00 C ATOM 106 CE1 HIS A 7 -14.619 -4.417 -8.710 1.00 0.00 C ATOM 107 NE2 HIS A 7 -14.993 -4.129 -9.943 1.00 0.00 N ATOM 0 H HIS A 7 -9.274 -2.147 -9.376 1.00 0.00 H new ATOM 0 HA HIS A 7 -10.663 -4.449 -10.001 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -11.352 -2.260 -8.768 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -11.794 -1.664 -10.355 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -14.009 -3.028 -11.565 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -15.196 -4.977 -7.989 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -15.878 -4.398 -10.372 1.00 0.00 H new ATOM 115 N VAL A 8 -10.657 -2.323 -12.546 1.00 0.00 N ATOM 116 CA VAL A 8 -10.808 -2.232 -13.993 1.00 0.00 C ATOM 117 C VAL A 8 -9.889 -3.219 -14.705 1.00 0.00 C ATOM 118 O VAL A 8 -9.016 -3.827 -14.086 1.00 0.00 O ATOM 119 CB VAL A 8 -10.508 -0.810 -14.501 1.00 0.00 C ATOM 120 CG1 VAL A 8 -11.433 0.200 -13.839 1.00 0.00 C ATOM 121 CG2 VAL A 8 -9.051 -0.452 -14.253 1.00 0.00 C ATOM 0 H VAL A 8 -10.468 -1.433 -12.085 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.846 -2.478 -14.218 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.688 -0.782 -15.576 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -11.206 1.199 -14.210 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.469 -0.047 -14.072 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.288 0.173 -12.759 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -8.857 0.556 -14.618 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -8.842 -0.497 -13.184 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.408 -1.158 -14.779 1.00 0.00 H new ATOM 131 N TRP A 9 -10.091 -3.372 -16.009 1.00 0.00 N ATOM 132 CA TRP A 9 -9.279 -4.285 -16.806 1.00 0.00 C ATOM 133 C TRP A 9 -8.610 -3.550 -17.962 1.00 0.00 C ATOM 134 O TRP A 9 -9.275 -2.872 -18.746 1.00 0.00 O ATOM 135 CB TRP A 9 -10.141 -5.429 -17.342 1.00 0.00 C ATOM 136 CG TRP A 9 -9.338 -6.554 -17.924 1.00 0.00 C ATOM 137 CD1 TRP A 9 -9.358 -6.991 -19.218 1.00 0.00 C ATOM 138 CD2 TRP A 9 -8.400 -7.385 -17.232 1.00 0.00 C ATOM 139 NE1 TRP A 9 -8.488 -8.043 -19.371 1.00 0.00 N ATOM 140 CE2 TRP A 9 -7.888 -8.304 -18.168 1.00 0.00 C ATOM 141 CE3 TRP A 9 -7.941 -7.440 -15.913 1.00 0.00 C ATOM 142 CZ2 TRP A 9 -6.942 -9.266 -17.825 1.00 0.00 C ATOM 143 CZ3 TRP A 9 -7.003 -8.396 -15.574 1.00 0.00 C ATOM 144 CH2 TRP A 9 -6.511 -9.298 -16.527 1.00 0.00 C ATOM 0 H TRP A 9 -10.809 -2.876 -16.537 1.00 0.00 H new ATOM 0 HA TRP A 9 -8.500 -4.696 -16.163 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -10.763 -5.815 -16.534 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -10.815 -5.040 -18.105 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -9.968 -6.571 -20.005 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -8.317 -8.548 -20.240 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -8.313 -6.748 -15.172 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -6.562 -9.962 -18.558 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -6.643 -8.449 -14.557 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -5.777 -10.033 -16.231 1.00 0.00 H new ATOM 155 N ASP A 10 -7.293 -3.689 -18.062 1.00 0.00 N ATOM 156 CA ASP A 10 -6.534 -3.039 -19.125 1.00 0.00 C ATOM 157 C ASP A 10 -6.846 -1.547 -19.180 1.00 0.00 C ATOM 158 O ASP A 10 -6.818 -0.936 -20.248 1.00 0.00 O ATOM 159 CB ASP A 10 -6.846 -3.688 -20.474 1.00 0.00 C ATOM 160 CG ASP A 10 -5.710 -3.536 -21.466 1.00 0.00 C ATOM 161 OD1 ASP A 10 -4.538 -3.615 -21.042 1.00 0.00 O ATOM 162 OD2 ASP A 10 -5.992 -3.337 -22.666 1.00 0.00 O ATOM 0 H ASP A 10 -6.728 -4.246 -17.420 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.473 -3.163 -18.908 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.055 -4.747 -20.325 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -7.749 -3.241 -20.889 1.00 0.00 H new ATOM 167 N GLY A 11 -7.145 -0.966 -18.022 1.00 0.00 N ATOM 168 CA GLY A 11 -7.460 0.450 -17.961 1.00 0.00 C ATOM 169 C GLY A 11 -8.925 0.706 -17.673 1.00 0.00 C ATOM 170 O GLY A 11 -9.263 1.458 -16.758 1.00 0.00 O ATOM 0 H GLY A 11 -7.175 -1.450 -17.125 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -6.853 0.921 -17.188 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -7.191 0.920 -18.907 1.00 0.00 H new ATOM 174 N VAL A 12 -9.799 0.081 -18.456 1.00 0.00 N ATOM 175 CA VAL A 12 -11.237 0.246 -18.280 1.00 0.00 C ATOM 176 C VAL A 12 -11.975 -1.064 -18.531 1.00 0.00 C ATOM 177 O VAL A 12 -11.679 -1.782 -19.486 1.00 0.00 O ATOM 178 CB VAL A 12 -11.798 1.327 -19.223 1.00 0.00 C ATOM 179 CG1 VAL A 12 -11.095 2.656 -18.990 1.00 0.00 C ATOM 180 CG2 VAL A 12 -11.663 0.890 -20.674 1.00 0.00 C ATOM 0 H VAL A 12 -9.536 -0.544 -19.218 1.00 0.00 H new ATOM 0 HA VAL A 12 -11.396 0.557 -17.248 1.00 0.00 H new ATOM 0 HB VAL A 12 -12.858 1.461 -19.005 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -11.504 3.407 -19.665 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -11.248 2.973 -17.958 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.028 2.541 -19.179 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -12.064 1.666 -21.326 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -10.611 0.727 -20.909 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -12.217 -0.036 -20.828 1.00 0.00 H new ATOM 190 N TYR A 13 -12.937 -1.370 -17.668 1.00 0.00 N ATOM 191 CA TYR A 13 -13.717 -2.595 -17.795 1.00 0.00 C ATOM 192 C TYR A 13 -14.713 -2.490 -18.946 1.00 0.00 C ATOM 193 O TYR A 13 -15.262 -1.420 -19.211 1.00 0.00 O ATOM 194 CB TYR A 13 -14.459 -2.890 -16.490 1.00 0.00 C ATOM 195 CG TYR A 13 -15.431 -1.805 -16.087 1.00 0.00 C ATOM 196 CD1 TYR A 13 -16.740 -1.809 -16.553 1.00 0.00 C ATOM 197 CD2 TYR A 13 -15.041 -0.774 -15.240 1.00 0.00 C ATOM 198 CE1 TYR A 13 -17.632 -0.819 -16.189 1.00 0.00 C ATOM 199 CE2 TYR A 13 -15.926 0.219 -14.869 1.00 0.00 C ATOM 200 CZ TYR A 13 -17.220 0.192 -15.346 1.00 0.00 C ATOM 201 OH TYR A 13 -18.105 1.181 -14.980 1.00 0.00 O ATOM 0 H TYR A 13 -13.195 -0.786 -16.873 1.00 0.00 H new ATOM 0 HA TYR A 13 -13.029 -3.413 -18.007 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -15.000 -3.830 -16.594 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -13.731 -3.028 -15.691 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -17.066 -2.600 -17.212 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -14.028 -0.749 -14.866 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -18.645 -0.836 -16.562 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -15.607 1.012 -14.209 1.00 0.00 H new ATOM 0 HH TYR A 13 -17.657 1.816 -14.382 1.00 0.00 H new ATOM 211 N ILE A 14 -14.942 -3.609 -19.625 1.00 0.00 N ATOM 212 CA ILE A 14 -15.873 -3.644 -20.746 1.00 0.00 C ATOM 213 C ILE A 14 -17.033 -4.594 -20.468 1.00 0.00 C ATOM 214 O ILE A 14 -16.902 -5.810 -20.613 1.00 0.00 O ATOM 215 CB ILE A 14 -15.171 -4.077 -22.047 1.00 0.00 C ATOM 216 CG1 ILE A 14 -13.891 -3.265 -22.256 1.00 0.00 C ATOM 217 CG2 ILE A 14 -16.108 -3.912 -23.234 1.00 0.00 C ATOM 218 CD1 ILE A 14 -12.666 -3.899 -21.634 1.00 0.00 C ATOM 0 H ILE A 14 -14.496 -4.503 -19.419 1.00 0.00 H new ATOM 0 HA ILE A 14 -16.257 -2.631 -20.869 1.00 0.00 H new ATOM 0 HB ILE A 14 -14.902 -5.130 -21.964 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -13.721 -3.138 -23.325 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -14.029 -2.269 -21.834 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -15.598 -4.222 -24.146 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -16.994 -4.529 -23.086 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -16.404 -2.867 -23.321 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -11.796 -3.270 -21.821 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -12.815 -4.001 -20.559 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -12.503 -4.883 -22.073 1.00 0.00 H new ATOM 230 N ARG A 15 -18.169 -4.031 -20.068 1.00 0.00 N ATOM 231 CA ARG A 15 -19.353 -4.828 -19.770 1.00 0.00 C ATOM 232 C ARG A 15 -20.003 -5.336 -21.054 1.00 0.00 C ATOM 233 O ARG A 15 -20.314 -4.558 -21.955 1.00 0.00 O ATOM 234 CB ARG A 15 -20.360 -4.003 -18.967 1.00 0.00 C ATOM 235 CG ARG A 15 -21.611 -4.775 -18.582 1.00 0.00 C ATOM 236 CD ARG A 15 -22.745 -3.840 -18.191 1.00 0.00 C ATOM 237 NE ARG A 15 -22.343 -2.897 -17.151 1.00 0.00 N ATOM 238 CZ ARG A 15 -23.094 -1.875 -16.757 1.00 0.00 C ATOM 239 NH1 ARG A 15 -24.279 -1.665 -17.313 1.00 0.00 N ATOM 240 NH2 ARG A 15 -22.659 -1.060 -15.804 1.00 0.00 N ATOM 0 H ARG A 15 -18.294 -3.026 -19.943 1.00 0.00 H new ATOM 0 HA ARG A 15 -19.042 -5.687 -19.176 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -19.877 -3.636 -18.061 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -20.648 -3.129 -19.551 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -21.925 -5.400 -19.418 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -21.386 -5.443 -17.751 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -23.080 -3.289 -19.070 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -23.594 -4.427 -17.840 1.00 0.00 H new ATOM 0 HE ARG A 15 -21.436 -3.030 -16.703 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -24.616 -2.289 -18.046 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -24.853 -0.879 -17.008 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -21.748 -1.219 -15.374 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -23.236 -0.275 -15.502 1.00 0.00 H new ATOM 254 N GLY A 16 -20.207 -6.648 -21.129 1.00 0.00 N ATOM 255 CA GLY A 16 -20.818 -7.237 -22.306 1.00 0.00 C ATOM 256 C GLY A 16 -20.037 -6.948 -23.572 1.00 0.00 C ATOM 257 O GLY A 16 -20.431 -6.100 -24.372 1.00 0.00 O ATOM 0 H GLY A 16 -19.960 -7.313 -20.396 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -20.896 -8.316 -22.170 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -21.833 -6.855 -22.414 1.00 0.00 H new ATOM 261 N ARG A 17 -18.925 -7.653 -23.753 1.00 0.00 N ATOM 262 CA ARG A 17 -18.085 -7.466 -24.930 1.00 0.00 C ATOM 263 C ARG A 17 -18.478 -8.437 -26.039 1.00 0.00 C ATOM 264 O ARG A 17 -18.966 -8.026 -27.093 1.00 0.00 O ATOM 265 CB ARG A 17 -16.612 -7.660 -24.567 1.00 0.00 C ATOM 266 CG ARG A 17 -15.651 -7.195 -25.649 1.00 0.00 C ATOM 267 CD ARG A 17 -15.425 -8.275 -26.695 1.00 0.00 C ATOM 268 NE ARG A 17 -14.198 -8.052 -27.456 1.00 0.00 N ATOM 269 CZ ARG A 17 -13.707 -8.924 -28.329 1.00 0.00 C ATOM 270 NH1 ARG A 17 -14.334 -10.071 -28.551 1.00 0.00 N ATOM 271 NH2 ARG A 17 -12.585 -8.650 -28.983 1.00 0.00 N ATOM 0 H ARG A 17 -18.585 -8.359 -23.100 1.00 0.00 H new ATOM 0 HA ARG A 17 -18.233 -6.449 -25.292 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -16.399 -7.117 -23.646 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -16.433 -8.716 -24.363 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -16.047 -6.300 -26.128 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -14.698 -6.920 -25.197 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -15.377 -9.248 -26.207 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -16.275 -8.302 -27.377 1.00 0.00 H new ATOM 0 HE ARG A 17 -13.691 -7.179 -27.309 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -15.196 -10.286 -28.051 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -13.954 -10.738 -29.222 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -12.099 -7.769 -28.815 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -12.209 -9.320 -29.653 1.00 0.00 H new TER 285 ARG A 17