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+ 147:sc= -1.28 (180deg=-3.13!) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.0018) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 1.665 -2.758 0.569 1.00 0.00 N ATOM 2 CA LEU A 1 0.765 -1.915 1.347 1.00 0.00 C ATOM 3 C LEU A 1 -0.382 -1.399 0.484 1.00 0.00 C ATOM 4 O LEU A 1 -0.856 -0.279 0.667 1.00 0.00 O ATOM 5 CB LEU A 1 1.531 -0.737 1.952 1.00 0.00 C ATOM 6 CG LEU A 1 2.029 0.318 0.964 1.00 0.00 C ATOM 7 CD1 LEU A 1 2.270 1.642 1.674 1.00 0.00 C ATOM 8 CD2 LEU A 1 3.297 -0.156 0.271 1.00 0.00 C ATOM 0 H1 LEU A 1 2.637 -2.645 0.921 1.00 0.00 H new ATOM 0 H2 LEU A 1 1.376 -3.753 0.662 1.00 0.00 H new ATOM 0 H3 LEU A 1 1.624 -2.478 -0.432 1.00 0.00 H new ATOM 0 HA LEU A 1 0.347 -2.521 2.151 1.00 0.00 H new ATOM 0 HB2 LEU A 1 0.887 -0.247 2.682 1.00 0.00 H new ATOM 0 HB3 LEU A 1 2.389 -1.129 2.497 1.00 0.00 H new ATOM 0 HG LEU A 1 1.260 0.470 0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 1 2.624 2.381 0.955 1.00 0.00 H new ATOM 0 HD12 LEU A 1 1.339 1.989 2.123 1.00 0.00 H new ATOM 0 HD13 LEU A 1 3.020 1.506 2.453 1.00 0.00 H new ATOM 0 HD21 LEU A 1 3.637 0.608 -0.428 1.00 0.00 H new ATOM 0 HD22 LEU A 1 4.072 -0.337 1.015 1.00 0.00 H new ATOM 0 HD23 LEU A 1 3.092 -1.079 -0.271 1.00 0.00 H new ATOM 20 N GLY A 2 -0.825 -2.227 -0.458 1.00 0.00 N ATOM 21 CA GLY A 2 -1.914 -1.838 -1.335 1.00 0.00 C ATOM 22 C GLY A 2 -2.422 -2.992 -2.176 1.00 0.00 C ATOM 23 O GLY A 2 -1.775 -4.036 -2.266 1.00 0.00 O ATOM 0 H GLY A 2 -0.449 -3.160 -0.629 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -2.734 -1.440 -0.737 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -1.579 -1.035 -1.991 1.00 0.00 H new ATOM 27 N ARG A 3 -3.585 -2.807 -2.792 1.00 0.00 N ATOM 28 CA ARG A 3 -4.181 -3.843 -3.627 1.00 0.00 C ATOM 29 C ARG A 3 -3.216 -4.276 -4.727 1.00 0.00 C ATOM 30 O ARG A 3 -2.327 -3.521 -5.121 1.00 0.00 O ATOM 31 CB ARG A 3 -5.485 -3.339 -4.248 1.00 0.00 C ATOM 32 CG ARG A 3 -6.649 -3.298 -3.271 1.00 0.00 C ATOM 33 CD ARG A 3 -7.278 -4.671 -3.095 1.00 0.00 C ATOM 34 NE ARG A 3 -8.434 -4.633 -2.203 1.00 0.00 N ATOM 35 CZ ARG A 3 -9.185 -5.693 -1.928 1.00 0.00 C ATOM 36 NH1 ARG A 3 -8.903 -6.869 -2.472 1.00 0.00 N ATOM 37 NH2 ARG A 3 -10.220 -5.579 -1.106 1.00 0.00 N ATOM 0 H ARG A 3 -4.133 -1.949 -2.729 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.396 -4.705 -2.995 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -5.323 -2.339 -4.650 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.749 -3.981 -5.088 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -6.302 -2.929 -2.306 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -7.401 -2.595 -3.629 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -7.583 -5.057 -4.068 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -6.535 -5.362 -2.696 1.00 0.00 H new ATOM 0 HE ARG A 3 -8.678 -3.743 -1.767 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -8.107 -6.961 -3.104 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -9.482 -7.681 -2.259 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -10.440 -4.676 -0.685 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -10.796 -6.394 -0.895 1.00 0.00 H new ATOM 51 N VAL A 4 -3.397 -5.499 -5.217 1.00 0.00 N ATOM 52 CA VAL A 4 -2.543 -6.033 -6.271 1.00 0.00 C ATOM 53 C VAL A 4 -2.458 -5.071 -7.451 1.00 0.00 C ATOM 54 O VAL A 4 -1.368 -4.694 -7.881 1.00 0.00 O ATOM 55 CB VAL A 4 -3.055 -7.397 -6.771 1.00 0.00 C ATOM 56 CG1 VAL A 4 -2.126 -7.959 -7.836 1.00 0.00 C ATOM 57 CG2 VAL A 4 -3.198 -8.370 -5.610 1.00 0.00 C ATOM 0 H VAL A 4 -4.127 -6.138 -4.901 1.00 0.00 H new ATOM 0 HA VAL A 4 -1.551 -6.161 -5.839 1.00 0.00 H new ATOM 0 HB VAL A 4 -4.038 -7.254 -7.219 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -2.504 -8.923 -8.177 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -2.079 -7.269 -8.679 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -1.128 -8.088 -7.417 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -3.561 -9.329 -5.981 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -2.229 -8.510 -5.131 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -3.907 -7.970 -4.885 1.00 0.00 H new ATOM 67 N ASP A 5 -3.616 -4.678 -7.970 1.00 0.00 N ATOM 68 CA ASP A 5 -3.674 -3.758 -9.100 1.00 0.00 C ATOM 69 C ASP A 5 -5.042 -3.088 -9.186 1.00 0.00 C ATOM 70 O ASP A 5 -5.998 -3.524 -8.545 1.00 0.00 O ATOM 71 CB ASP A 5 -3.372 -4.498 -10.404 1.00 0.00 C ATOM 72 CG ASP A 5 -1.884 -4.638 -10.659 1.00 0.00 C ATOM 73 OD1 ASP A 5 -1.225 -3.607 -10.907 1.00 0.00 O ATOM 74 OD2 ASP A 5 -1.379 -5.779 -10.611 1.00 0.00 O ATOM 0 H ASP A 5 -4.527 -4.982 -7.626 1.00 0.00 H new ATOM 0 HA ASP A 5 -2.920 -2.986 -8.947 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -3.827 -5.488 -10.370 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -3.832 -3.964 -11.236 1.00 0.00 H new ATOM 79 N ILE A 6 -5.126 -2.026 -9.980 1.00 0.00 N ATOM 80 CA ILE A 6 -6.376 -1.296 -10.149 1.00 0.00 C ATOM 81 C ILE A 6 -7.491 -2.220 -10.627 1.00 0.00 C ATOM 82 O ILE A 6 -7.242 -3.198 -11.332 1.00 0.00 O ATOM 83 CB ILE A 6 -6.220 -0.136 -11.151 1.00 0.00 C ATOM 84 CG1 ILE A 6 -4.973 0.687 -10.821 1.00 0.00 C ATOM 85 CG2 ILE A 6 -7.461 0.744 -11.139 1.00 0.00 C ATOM 86 CD1 ILE A 6 -4.888 1.099 -9.368 1.00 0.00 C ATOM 0 H ILE A 6 -4.343 -1.652 -10.516 1.00 0.00 H new ATOM 0 HA ILE A 6 -6.638 -0.888 -9.173 1.00 0.00 H new ATOM 0 HB ILE A 6 -6.103 -0.552 -12.152 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -4.086 0.107 -11.078 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -4.962 1.581 -11.445 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.336 1.559 -11.852 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.331 0.149 -11.417 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.606 1.155 -10.140 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -3.979 1.679 -9.207 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -5.756 1.706 -9.110 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -4.867 0.210 -8.738 1.00 0.00 H new ATOM 98 N HIS A 7 -8.723 -1.901 -10.240 1.00 0.00 N ATOM 99 CA HIS A 7 -9.878 -2.702 -10.632 1.00 0.00 C ATOM 100 C HIS A 7 -10.008 -2.760 -12.151 1.00 0.00 C ATOM 101 O HIS A 7 -10.071 -3.840 -12.737 1.00 0.00 O ATOM 102 CB HIS A 7 -11.155 -2.125 -10.020 1.00 0.00 C ATOM 103 CG HIS A 7 -11.894 -3.096 -9.152 1.00 0.00 C ATOM 104 ND1 HIS A 7 -12.007 -2.949 -7.785 1.00 0.00 N ATOM 105 CD2 HIS A 7 -12.562 -4.232 -9.463 1.00 0.00 C ATOM 106 CE1 HIS A 7 -12.711 -3.953 -7.293 1.00 0.00 C ATOM 107 NE2 HIS A 7 -13.060 -4.745 -8.291 1.00 0.00 N ATOM 0 H HIS A 7 -8.947 -1.095 -9.656 1.00 0.00 H new ATOM 0 HA HIS A 7 -9.731 -3.716 -10.259 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -10.900 -1.244 -9.431 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -11.814 -1.792 -10.822 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -12.681 -4.656 -10.449 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -12.959 -4.101 -6.252 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -13.610 -5.599 -8.205 1.00 0.00 H new ATOM 115 N VAL A 8 -10.050 -1.591 -12.782 1.00 0.00 N ATOM 116 CA VAL A 8 -10.173 -1.509 -14.232 1.00 0.00 C ATOM 117 C VAL A 8 -8.974 -2.149 -14.922 1.00 0.00 C ATOM 118 O VAL A 8 -7.912 -2.310 -14.321 1.00 0.00 O ATOM 119 CB VAL A 8 -10.303 -0.048 -14.703 1.00 0.00 C ATOM 120 CG1 VAL A 8 -11.615 0.553 -14.223 1.00 0.00 C ATOM 121 CG2 VAL A 8 -9.120 0.775 -14.216 1.00 0.00 C ATOM 0 H VAL A 8 -10.001 -0.687 -12.311 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.078 -2.052 -14.504 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.302 -0.034 -15.793 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -11.689 1.585 -14.565 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -12.448 -0.023 -14.625 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -11.649 0.529 -13.134 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -9.228 1.804 -14.558 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.087 0.756 -13.127 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.196 0.355 -14.614 1.00 0.00 H new ATOM 131 N TRP A 9 -9.150 -2.512 -16.188 1.00 0.00 N ATOM 132 CA TRP A 9 -8.082 -3.134 -16.961 1.00 0.00 C ATOM 133 C TRP A 9 -8.156 -2.718 -18.425 1.00 0.00 C ATOM 134 O TRP A 9 -9.228 -2.729 -19.030 1.00 0.00 O ATOM 135 CB TRP A 9 -8.162 -4.658 -16.846 1.00 0.00 C ATOM 136 CG TRP A 9 -6.893 -5.351 -17.240 1.00 0.00 C ATOM 137 CD1 TRP A 9 -5.625 -5.021 -16.855 1.00 0.00 C ATOM 138 CD2 TRP A 9 -6.770 -6.491 -18.097 1.00 0.00 C ATOM 139 NE1 TRP A 9 -4.721 -5.887 -17.421 1.00 0.00 N ATOM 140 CE2 TRP A 9 -5.398 -6.798 -18.187 1.00 0.00 C ATOM 141 CE3 TRP A 9 -7.685 -7.283 -18.796 1.00 0.00 C ATOM 142 CZ2 TRP A 9 -4.923 -7.862 -18.949 1.00 0.00 C ATOM 143 CZ3 TRP A 9 -7.211 -8.339 -19.552 1.00 0.00 C ATOM 144 CH2 TRP A 9 -5.841 -8.621 -19.622 1.00 0.00 C ATOM 0 H TRP A 9 -10.023 -2.386 -16.701 1.00 0.00 H new ATOM 0 HA TRP A 9 -7.129 -2.795 -16.555 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -8.409 -4.925 -15.819 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -8.976 -5.020 -17.474 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -5.370 -4.200 -16.201 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -3.710 -5.856 -17.292 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -8.743 -7.074 -18.746 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -3.867 -8.081 -19.007 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -7.909 -8.957 -20.098 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -5.502 -9.455 -20.219 1.00 0.00 H new ATOM 155 N ASP A 10 -7.011 -2.352 -18.990 1.00 0.00 N ATOM 156 CA ASP A 10 -6.946 -1.933 -20.386 1.00 0.00 C ATOM 157 C ASP A 10 -7.863 -0.740 -20.638 1.00 0.00 C ATOM 158 O ASP A 10 -8.395 -0.575 -21.735 1.00 0.00 O ATOM 159 CB ASP A 10 -7.331 -3.092 -21.307 1.00 0.00 C ATOM 160 CG ASP A 10 -6.719 -2.962 -22.688 1.00 0.00 C ATOM 161 OD1 ASP A 10 -5.476 -2.884 -22.781 1.00 0.00 O ATOM 162 OD2 ASP A 10 -7.483 -2.939 -23.675 1.00 0.00 O ATOM 0 H ASP A 10 -6.115 -2.337 -18.503 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.921 -1.633 -20.603 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -7.010 -4.032 -20.857 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -8.416 -3.136 -21.396 1.00 0.00 H new ATOM 167 N GLY A 11 -8.044 0.088 -19.614 1.00 0.00 N ATOM 168 CA GLY A 11 -8.899 1.254 -19.745 1.00 0.00 C ATOM 169 C GLY A 11 -10.203 1.105 -18.986 1.00 0.00 C ATOM 170 O GLY A 11 -10.564 1.966 -18.184 1.00 0.00 O ATOM 0 H GLY A 11 -7.614 -0.027 -18.696 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -8.368 2.133 -19.380 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -9.114 1.427 -20.800 1.00 0.00 H new ATOM 174 N VAL A 12 -10.912 0.010 -19.241 1.00 0.00 N ATOM 175 CA VAL A 12 -12.184 -0.248 -18.577 1.00 0.00 C ATOM 176 C VAL A 12 -12.443 -1.745 -18.449 1.00 0.00 C ATOM 177 O VAL A 12 -12.102 -2.523 -19.340 1.00 0.00 O ATOM 178 CB VAL A 12 -13.356 0.401 -19.337 1.00 0.00 C ATOM 179 CG1 VAL A 12 -13.354 1.908 -19.137 1.00 0.00 C ATOM 180 CG2 VAL A 12 -13.290 0.051 -20.816 1.00 0.00 C ATOM 0 H VAL A 12 -10.627 -0.712 -19.902 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.117 0.193 -17.582 1.00 0.00 H new ATOM 0 HB VAL A 12 -14.289 0.007 -18.935 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -14.189 2.348 -19.682 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -13.453 2.134 -18.075 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -12.418 2.323 -19.510 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -14.125 0.518 -21.338 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -12.352 0.415 -21.235 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -13.346 -1.031 -20.937 1.00 0.00 H new ATOM 190 N TYR A 13 -13.047 -2.142 -17.334 1.00 0.00 N ATOM 191 CA TYR A 13 -13.350 -3.546 -17.087 1.00 0.00 C ATOM 192 C TYR A 13 -14.137 -4.146 -18.249 1.00 0.00 C ATOM 193 O TYR A 13 -15.043 -3.513 -18.792 1.00 0.00 O ATOM 194 CB TYR A 13 -14.142 -3.698 -15.788 1.00 0.00 C ATOM 195 CG TYR A 13 -15.415 -2.882 -15.755 1.00 0.00 C ATOM 196 CD1 TYR A 13 -16.600 -3.385 -16.277 1.00 0.00 C ATOM 197 CD2 TYR A 13 -15.431 -1.607 -15.203 1.00 0.00 C ATOM 198 CE1 TYR A 13 -17.765 -2.643 -16.250 1.00 0.00 C ATOM 199 CE2 TYR A 13 -16.592 -0.858 -15.171 1.00 0.00 C ATOM 200 CZ TYR A 13 -17.756 -1.380 -15.695 1.00 0.00 C ATOM 201 OH TYR A 13 -18.913 -0.636 -15.666 1.00 0.00 O ATOM 0 H TYR A 13 -13.336 -1.511 -16.587 1.00 0.00 H new ATOM 0 HA TYR A 13 -12.407 -4.084 -16.994 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -14.391 -4.750 -15.645 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -13.510 -3.403 -14.950 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -16.611 -4.374 -16.712 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -14.521 -1.195 -14.792 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -18.677 -3.049 -16.661 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -16.588 0.131 -14.738 1.00 0.00 H new ATOM 0 HH TYR A 13 -18.735 0.229 -15.241 1.00 0.00 H new ATOM 211 N ILE A 14 -13.785 -5.372 -18.622 1.00 0.00 N ATOM 212 CA ILE A 14 -14.459 -6.059 -19.717 1.00 0.00 C ATOM 213 C ILE A 14 -15.803 -6.622 -19.269 1.00 0.00 C ATOM 214 O ILE A 14 -15.866 -7.681 -18.643 1.00 0.00 O ATOM 215 CB ILE A 14 -13.596 -7.204 -20.279 1.00 0.00 C ATOM 216 CG1 ILE A 14 -12.263 -6.661 -20.797 1.00 0.00 C ATOM 217 CG2 ILE A 14 -14.342 -7.936 -21.385 1.00 0.00 C ATOM 218 CD1 ILE A 14 -11.197 -6.557 -19.728 1.00 0.00 C ATOM 0 H ILE A 14 -13.038 -5.909 -18.183 1.00 0.00 H new ATOM 0 HA ILE A 14 -14.622 -5.319 -20.501 1.00 0.00 H new ATOM 0 HB ILE A 14 -13.391 -7.912 -19.476 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -11.902 -7.308 -21.597 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -12.426 -5.676 -21.233 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -13.719 -8.742 -21.772 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -15.267 -8.352 -20.986 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -14.575 -7.239 -22.190 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -10.279 -6.165 -20.166 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -11.537 -5.887 -18.939 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -11.005 -7.544 -19.308 1.00 0.00 H new ATOM 230 N ARG A 15 -16.876 -5.909 -19.594 1.00 0.00 N ATOM 231 CA ARG A 15 -18.220 -6.338 -19.225 1.00 0.00 C ATOM 232 C ARG A 15 -19.213 -6.037 -20.344 1.00 0.00 C ATOM 233 O ARG A 15 -19.197 -4.954 -20.927 1.00 0.00 O ATOM 234 CB ARG A 15 -18.663 -5.646 -17.935 1.00 0.00 C ATOM 235 CG ARG A 15 -20.099 -5.953 -17.542 1.00 0.00 C ATOM 236 CD ARG A 15 -20.472 -5.283 -16.228 1.00 0.00 C ATOM 237 NE ARG A 15 -21.722 -5.806 -15.683 1.00 0.00 N ATOM 238 CZ ARG A 15 -22.923 -5.429 -16.106 1.00 0.00 C ATOM 239 NH1 ARG A 15 -23.036 -4.530 -17.075 1.00 0.00 N ATOM 240 NH2 ARG A 15 -24.014 -5.950 -15.561 1.00 0.00 N ATOM 0 H ARG A 15 -16.841 -5.031 -20.112 1.00 0.00 H new ATOM 0 HA ARG A 15 -18.199 -7.416 -19.062 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -18.001 -5.949 -17.124 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -18.550 -4.568 -18.053 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -20.773 -5.614 -18.329 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -20.230 -7.031 -17.452 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -19.670 -5.432 -15.505 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -20.566 -4.208 -16.383 1.00 0.00 H new ATOM 0 HE ARG A 15 -21.670 -6.499 -14.936 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -22.199 -4.127 -17.497 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -23.960 -4.242 -17.398 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -23.931 -6.641 -14.816 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -24.936 -5.659 -15.887 1.00 0.00 H new ATOM 254 N GLY A 16 -20.077 -7.004 -20.638 1.00 0.00 N ATOM 255 CA GLY A 16 -21.064 -6.823 -21.686 1.00 0.00 C ATOM 256 C GLY A 16 -20.440 -6.427 -23.009 1.00 0.00 C ATOM 257 O GLY A 16 -20.650 -5.315 -23.493 1.00 0.00 O ATOM 0 H GLY A 16 -20.111 -7.909 -20.169 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -21.626 -7.748 -21.815 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -21.777 -6.057 -21.381 1.00 0.00 H new ATOM 261 N ARG A 17 -19.670 -7.338 -23.594 1.00 0.00 N ATOM 262 CA ARG A 17 -19.010 -7.077 -24.868 1.00 0.00 C ATOM 263 C ARG A 17 -20.036 -6.862 -25.977 1.00 0.00 C ATOM 264 O ARG A 17 -20.739 -7.791 -26.374 1.00 0.00 O ATOM 265 CB ARG A 17 -18.083 -8.237 -25.234 1.00 0.00 C ATOM 266 CG ARG A 17 -17.022 -7.869 -26.258 1.00 0.00 C ATOM 267 CD ARG A 17 -17.526 -8.067 -27.679 1.00 0.00 C ATOM 268 NE ARG A 17 -17.838 -9.466 -27.958 1.00 0.00 N ATOM 269 CZ ARG A 17 -18.071 -9.938 -29.178 1.00 0.00 C ATOM 270 NH1 ARG A 17 -18.027 -9.126 -30.226 1.00 0.00 N ATOM 271 NH2 ARG A 17 -18.349 -11.224 -29.352 1.00 0.00 N ATOM 0 H ARG A 17 -19.488 -8.264 -23.206 1.00 0.00 H new ATOM 0 HA ARG A 17 -18.418 -6.168 -24.762 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -17.593 -8.599 -24.330 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -18.682 -9.060 -25.623 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -16.725 -6.830 -26.118 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -16.133 -8.479 -26.098 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -18.417 -7.459 -27.836 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -16.772 -7.716 -28.383 1.00 0.00 H new ATOM 0 HE ARG A 17 -17.879 -10.116 -27.173 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -17.814 -8.137 -30.096 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -18.206 -9.491 -31.162 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -18.384 -11.851 -28.549 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -18.528 -11.585 -30.289 1.00 0.00 H new TER 285 ARG A 17