USER MOD reduce.3.24.130724 H: found=0, std=0, add=145, rem=0, adj=1 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.055) USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 2.865 -1.971 -4.975 1.00 0.00 N ATOM 2 CA LEU A 1 2.538 -3.392 -4.946 1.00 0.00 C ATOM 3 C LEU A 1 1.258 -3.673 -5.726 1.00 0.00 C ATOM 4 O LEU A 1 1.268 -4.411 -6.711 1.00 0.00 O ATOM 5 CB LEU A 1 2.383 -3.870 -3.501 1.00 0.00 C ATOM 6 CG LEU A 1 2.583 -5.367 -3.264 1.00 0.00 C ATOM 7 CD1 LEU A 1 3.035 -5.626 -1.835 1.00 0.00 C ATOM 8 CD2 LEU A 1 1.302 -6.131 -3.567 1.00 0.00 C ATOM 0 H1 LEU A 1 3.740 -1.805 -4.438 1.00 0.00 H new ATOM 0 H2 LEU A 1 3.001 -1.666 -5.960 1.00 0.00 H new ATOM 0 H3 LEU A 1 2.088 -1.427 -4.548 1.00 0.00 H new ATOM 0 HA LEU A 1 3.356 -3.937 -5.418 1.00 0.00 H new ATOM 0 HB2 LEU A 1 3.096 -3.326 -2.881 1.00 0.00 H new ATOM 0 HB3 LEU A 1 1.386 -3.598 -3.154 1.00 0.00 H new ATOM 0 HG LEU A 1 3.362 -5.721 -3.939 1.00 0.00 H new ATOM 0 HD11 LEU A 1 3.172 -6.697 -1.685 1.00 0.00 H new ATOM 0 HD12 LEU A 1 3.978 -5.110 -1.653 1.00 0.00 H new ATOM 0 HD13 LEU A 1 2.279 -5.257 -1.142 1.00 0.00 H new ATOM 0 HD21 LEU A 1 1.463 -7.195 -3.393 1.00 0.00 H new ATOM 0 HD22 LEU A 1 0.503 -5.774 -2.917 1.00 0.00 H new ATOM 0 HD23 LEU A 1 1.021 -5.972 -4.608 1.00 0.00 H new ATOM 20 N GLY A 2 0.156 -3.076 -5.281 1.00 0.00 N ATOM 21 CA GLY A 2 -1.116 -3.273 -5.951 1.00 0.00 C ATOM 22 C GLY A 2 -2.278 -3.337 -4.980 1.00 0.00 C ATOM 23 O GLY A 2 -2.141 -2.974 -3.811 1.00 0.00 O ATOM 0 H GLY A 2 0.122 -2.460 -4.469 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -1.281 -2.459 -6.657 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -1.079 -4.196 -6.530 1.00 0.00 H new ATOM 27 N ARG A 3 -3.427 -3.799 -5.464 1.00 0.00 N ATOM 28 CA ARG A 3 -4.619 -3.906 -4.631 1.00 0.00 C ATOM 29 C ARG A 3 -5.149 -5.337 -4.624 1.00 0.00 C ATOM 30 O ARG A 3 -4.671 -6.192 -5.369 1.00 0.00 O ATOM 31 CB ARG A 3 -5.704 -2.951 -5.131 1.00 0.00 C ATOM 32 CG ARG A 3 -5.194 -1.550 -5.427 1.00 0.00 C ATOM 33 CD ARG A 3 -6.326 -0.535 -5.432 1.00 0.00 C ATOM 34 NE ARG A 3 -5.831 0.835 -5.548 1.00 0.00 N ATOM 35 CZ ARG A 3 -6.586 1.858 -5.933 1.00 0.00 C ATOM 36 NH1 ARG A 3 -7.862 1.668 -6.237 1.00 0.00 N ATOM 37 NH2 ARG A 3 -6.064 3.075 -6.013 1.00 0.00 N ATOM 0 H ARG A 3 -3.557 -4.105 -6.428 1.00 0.00 H new ATOM 0 HA ARG A 3 -4.346 -3.632 -3.612 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -6.151 -3.364 -6.035 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -6.495 -2.890 -4.383 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -4.453 -1.266 -4.680 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -4.692 -1.541 -6.394 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -7.001 -0.748 -6.261 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -6.906 -0.635 -4.515 1.00 0.00 H new ATOM 0 HE ARG A 3 -4.853 1.016 -5.321 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -8.267 0.734 -6.176 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -8.439 2.456 -6.532 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -5.083 3.225 -5.779 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -6.644 3.860 -6.309 1.00 0.00 H new ATOM 51 N VAL A 4 -6.141 -5.591 -3.775 1.00 0.00 N ATOM 52 CA VAL A 4 -6.737 -6.917 -3.670 1.00 0.00 C ATOM 53 C VAL A 4 -7.552 -7.253 -4.914 1.00 0.00 C ATOM 54 O VAL A 4 -7.974 -8.394 -5.103 1.00 0.00 O ATOM 55 CB VAL A 4 -7.644 -7.028 -2.431 1.00 0.00 C ATOM 56 CG1 VAL A 4 -8.077 -8.470 -2.213 1.00 0.00 C ATOM 57 CG2 VAL A 4 -6.933 -6.485 -1.200 1.00 0.00 C ATOM 0 H VAL A 4 -6.548 -4.895 -3.150 1.00 0.00 H new ATOM 0 HA VAL A 4 -5.915 -7.627 -3.574 1.00 0.00 H new ATOM 0 HB VAL A 4 -8.537 -6.427 -2.602 1.00 0.00 H new ATOM 0 HG11 VAL A 4 -8.717 -8.529 -1.333 1.00 0.00 H new ATOM 0 HG12 VAL A 4 -8.627 -8.821 -3.086 1.00 0.00 H new ATOM 0 HG13 VAL A 4 -7.197 -9.096 -2.064 1.00 0.00 H new ATOM 0 HG21 VAL A 4 -7.589 -6.571 -0.334 1.00 0.00 H new ATOM 0 HG22 VAL A 4 -6.022 -7.057 -1.024 1.00 0.00 H new ATOM 0 HG23 VAL A 4 -6.678 -5.437 -1.359 1.00 0.00 H new ATOM 67 N ASP A 5 -7.769 -6.253 -5.761 1.00 0.00 N ATOM 68 CA ASP A 5 -8.532 -6.442 -6.989 1.00 0.00 C ATOM 69 C ASP A 5 -8.472 -5.194 -7.864 1.00 0.00 C ATOM 70 O ASP A 5 -8.005 -4.141 -7.428 1.00 0.00 O ATOM 71 CB ASP A 5 -9.987 -6.782 -6.663 1.00 0.00 C ATOM 72 CG ASP A 5 -10.693 -7.470 -7.815 1.00 0.00 C ATOM 73 OD1 ASP A 5 -10.064 -8.329 -8.467 1.00 0.00 O ATOM 74 OD2 ASP A 5 -11.873 -7.148 -8.065 1.00 0.00 O ATOM 0 H ASP A 5 -7.427 -5.303 -5.620 1.00 0.00 H new ATOM 0 HA ASP A 5 -8.088 -7.271 -7.540 1.00 0.00 H new ATOM 0 HB2 ASP A 5 -10.018 -7.427 -5.785 1.00 0.00 H new ATOM 0 HB3 ASP A 5 -10.522 -5.868 -6.407 1.00 0.00 H new ATOM 79 N ILE A 6 -8.946 -5.320 -9.099 1.00 0.00 N ATOM 80 CA ILE A 6 -8.946 -4.202 -10.034 1.00 0.00 C ATOM 81 C ILE A 6 -10.343 -3.952 -10.592 1.00 0.00 C ATOM 82 O ILE A 6 -11.099 -4.891 -10.846 1.00 0.00 O ATOM 83 CB ILE A 6 -7.974 -4.446 -11.204 1.00 0.00 C ATOM 84 CG1 ILE A 6 -6.568 -4.738 -10.675 1.00 0.00 C ATOM 85 CG2 ILE A 6 -7.956 -3.245 -12.137 1.00 0.00 C ATOM 86 CD1 ILE A 6 -6.315 -6.206 -10.411 1.00 0.00 C ATOM 0 H ILE A 6 -9.335 -6.185 -9.475 1.00 0.00 H new ATOM 0 HA ILE A 6 -8.618 -3.325 -9.477 1.00 0.00 H new ATOM 0 HB ILE A 6 -8.317 -5.314 -11.767 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -5.835 -4.375 -11.395 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -6.412 -4.179 -9.752 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -7.265 -3.433 -12.958 1.00 0.00 H new ATOM 0 HG22 ILE A 6 -8.957 -3.079 -12.536 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -7.634 -2.361 -11.586 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -5.299 -6.339 -10.038 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -7.025 -6.570 -9.668 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -6.438 -6.769 -11.336 1.00 0.00 H new ATOM 98 N HIS A 7 -10.680 -2.681 -10.783 1.00 0.00 N ATOM 99 CA HIS A 7 -11.986 -2.307 -11.314 1.00 0.00 C ATOM 100 C HIS A 7 -11.879 -1.897 -12.780 1.00 0.00 C ATOM 101 O HIS A 7 -12.608 -2.406 -13.632 1.00 0.00 O ATOM 102 CB HIS A 7 -12.585 -1.163 -10.495 1.00 0.00 C ATOM 103 CG HIS A 7 -14.082 -1.159 -10.478 1.00 0.00 C ATOM 104 ND1 HIS A 7 -14.847 -0.972 -11.610 1.00 0.00 N ATOM 105 CD2 HIS A 7 -14.956 -1.321 -9.457 1.00 0.00 C ATOM 106 CE1 HIS A 7 -16.127 -1.019 -11.286 1.00 0.00 C ATOM 107 NE2 HIS A 7 -16.220 -1.230 -9.985 1.00 0.00 N ATOM 0 H HIS A 7 -10.067 -1.892 -10.578 1.00 0.00 H new ATOM 0 HA HIS A 7 -12.641 -3.175 -11.244 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -12.218 -1.230 -9.471 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -12.232 -0.214 -10.899 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -14.706 -1.490 -8.420 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -16.956 -0.904 -11.968 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -17.090 -1.312 -9.458 1.00 0.00 H new ATOM 115 N VAL A 8 -10.967 -0.975 -13.067 1.00 0.00 N ATOM 116 CA VAL A 8 -10.764 -0.497 -14.429 1.00 0.00 C ATOM 117 C VAL A 8 -9.404 -0.928 -14.966 1.00 0.00 C ATOM 118 O VAL A 8 -8.490 -1.231 -14.199 1.00 0.00 O ATOM 119 CB VAL A 8 -10.873 1.037 -14.508 1.00 0.00 C ATOM 120 CG1 VAL A 8 -12.212 1.507 -13.962 1.00 0.00 C ATOM 121 CG2 VAL A 8 -9.722 1.692 -13.758 1.00 0.00 C ATOM 0 H VAL A 8 -10.356 -0.543 -12.374 1.00 0.00 H new ATOM 0 HA VAL A 8 -11.550 -0.941 -15.040 1.00 0.00 H new ATOM 0 HB VAL A 8 -10.811 1.335 -15.555 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -12.270 2.594 -14.026 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -13.019 1.065 -14.547 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -12.308 1.200 -12.921 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -9.815 2.776 -13.824 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -9.750 1.389 -12.711 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -8.776 1.381 -14.201 1.00 0.00 H new ATOM 131 N TRP A 9 -9.277 -0.952 -16.288 1.00 0.00 N ATOM 132 CA TRP A 9 -8.027 -1.345 -16.929 1.00 0.00 C ATOM 133 C TRP A 9 -7.710 -0.435 -18.110 1.00 0.00 C ATOM 134 O TRP A 9 -8.505 -0.313 -19.042 1.00 0.00 O ATOM 135 CB TRP A 9 -8.105 -2.799 -17.396 1.00 0.00 C ATOM 136 CG TRP A 9 -6.779 -3.364 -17.806 1.00 0.00 C ATOM 137 CD1 TRP A 9 -6.415 -3.778 -19.055 1.00 0.00 C ATOM 138 CD2 TRP A 9 -5.642 -3.578 -16.963 1.00 0.00 C ATOM 139 NE1 TRP A 9 -5.120 -4.237 -19.040 1.00 0.00 N ATOM 140 CE2 TRP A 9 -4.623 -4.124 -17.769 1.00 0.00 C ATOM 141 CE3 TRP A 9 -5.384 -3.360 -15.607 1.00 0.00 C ATOM 142 CZ2 TRP A 9 -3.370 -4.455 -17.261 1.00 0.00 C ATOM 143 CZ3 TRP A 9 -4.139 -3.690 -15.104 1.00 0.00 C ATOM 144 CH2 TRP A 9 -3.145 -4.231 -15.929 1.00 0.00 C ATOM 0 H TRP A 9 -10.024 -0.704 -16.937 1.00 0.00 H new ATOM 0 HA TRP A 9 -7.226 -1.248 -16.196 1.00 0.00 H new ATOM 0 HB2 TRP A 9 -8.519 -3.409 -16.593 1.00 0.00 H new ATOM 0 HB3 TRP A 9 -8.796 -2.866 -18.236 1.00 0.00 H new ATOM 0 HD1 TRP A 9 -7.052 -3.749 -19.927 1.00 0.00 H new ATOM 0 HE1 TRP A 9 -4.611 -4.603 -19.845 1.00 0.00 H new ATOM 0 HE3 TRP A 9 -6.143 -2.941 -14.963 1.00 0.00 H new ATOM 0 HZ2 TRP A 9 -2.602 -4.874 -17.895 1.00 0.00 H new ATOM 0 HZ3 TRP A 9 -3.930 -3.528 -14.057 1.00 0.00 H new ATOM 0 HH2 TRP A 9 -2.182 -4.476 -15.506 1.00 0.00 H new ATOM 155 N ASP A 10 -6.545 0.203 -18.064 1.00 0.00 N ATOM 156 CA ASP A 10 -6.123 1.101 -19.132 1.00 0.00 C ATOM 157 C ASP A 10 -7.143 2.217 -19.338 1.00 0.00 C ATOM 158 O ASP A 10 -7.302 2.730 -20.445 1.00 0.00 O ATOM 159 CB ASP A 10 -5.928 0.324 -20.435 1.00 0.00 C ATOM 160 CG ASP A 10 -4.631 -0.460 -20.453 1.00 0.00 C ATOM 161 OD1 ASP A 10 -3.561 0.168 -20.590 1.00 0.00 O ATOM 162 OD2 ASP A 10 -4.686 -1.702 -20.330 1.00 0.00 O ATOM 0 H ASP A 10 -5.877 0.115 -17.299 1.00 0.00 H new ATOM 0 HA ASP A 10 -5.173 1.550 -18.841 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -6.765 -0.360 -20.575 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -5.941 1.019 -21.274 1.00 0.00 H new ATOM 167 N GLY A 11 -7.833 2.587 -18.264 1.00 0.00 N ATOM 168 CA GLY A 11 -8.830 3.638 -18.348 1.00 0.00 C ATOM 169 C GLY A 11 -10.064 3.206 -19.116 1.00 0.00 C ATOM 170 O GLY A 11 -10.824 4.042 -19.606 1.00 0.00 O ATOM 0 H GLY A 11 -7.719 2.178 -17.337 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -9.120 3.941 -17.342 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -8.393 4.512 -18.831 1.00 0.00 H new ATOM 174 N VAL A 12 -10.265 1.897 -19.221 1.00 0.00 N ATOM 175 CA VAL A 12 -11.416 1.355 -19.935 1.00 0.00 C ATOM 176 C VAL A 12 -11.869 0.033 -19.325 1.00 0.00 C ATOM 177 O VAL A 12 -11.063 -0.875 -19.117 1.00 0.00 O ATOM 178 CB VAL A 12 -11.099 1.137 -21.427 1.00 0.00 C ATOM 179 CG1 VAL A 12 -11.041 2.469 -22.160 1.00 0.00 C ATOM 180 CG2 VAL A 12 -9.794 0.373 -21.588 1.00 0.00 C ATOM 0 H VAL A 12 -9.646 1.192 -18.821 1.00 0.00 H new ATOM 0 HA VAL A 12 -12.218 2.087 -19.844 1.00 0.00 H new ATOM 0 HB VAL A 12 -11.898 0.541 -21.868 1.00 0.00 H new ATOM 0 HG11 VAL A 12 -10.816 2.296 -23.212 1.00 0.00 H new ATOM 0 HG12 VAL A 12 -12.003 2.974 -22.073 1.00 0.00 H new ATOM 0 HG13 VAL A 12 -10.262 3.093 -21.721 1.00 0.00 H new ATOM 0 HG21 VAL A 12 -9.586 0.228 -22.648 1.00 0.00 H new ATOM 0 HG22 VAL A 12 -8.982 0.940 -21.133 1.00 0.00 H new ATOM 0 HG23 VAL A 12 -9.878 -0.597 -21.099 1.00 0.00 H new ATOM 190 N TYR A 13 -13.162 -0.068 -19.040 1.00 0.00 N ATOM 191 CA TYR A 13 -13.723 -1.278 -18.451 1.00 0.00 C ATOM 192 C TYR A 13 -13.609 -2.456 -19.414 1.00 0.00 C ATOM 193 O TYR A 13 -13.901 -2.329 -20.604 1.00 0.00 O ATOM 194 CB TYR A 13 -15.187 -1.055 -18.072 1.00 0.00 C ATOM 195 CG TYR A 13 -15.402 0.126 -17.152 1.00 0.00 C ATOM 196 CD1 TYR A 13 -15.086 0.044 -15.801 1.00 0.00 C ATOM 197 CD2 TYR A 13 -15.921 1.321 -17.632 1.00 0.00 C ATOM 198 CE1 TYR A 13 -15.280 1.120 -14.956 1.00 0.00 C ATOM 199 CE2 TYR A 13 -16.117 2.402 -16.795 1.00 0.00 C ATOM 200 CZ TYR A 13 -15.796 2.297 -15.458 1.00 0.00 C ATOM 201 OH TYR A 13 -15.991 3.371 -14.620 1.00 0.00 O ATOM 0 H TYR A 13 -13.842 0.674 -19.207 1.00 0.00 H new ATOM 0 HA TYR A 13 -13.154 -1.511 -17.551 1.00 0.00 H new ATOM 0 HB2 TYR A 13 -15.770 -0.908 -18.981 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -15.570 -1.955 -17.590 1.00 0.00 H new ATOM 0 HD1 TYR A 13 -14.682 -0.876 -15.405 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -16.176 1.407 -18.678 1.00 0.00 H new ATOM 0 HE1 TYR A 13 -15.029 1.040 -13.909 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -16.520 3.325 -17.186 1.00 0.00 H new ATOM 0 HH TYR A 13 -16.359 4.122 -15.131 1.00 0.00 H new ATOM 211 N ILE A 14 -13.182 -3.600 -18.891 1.00 0.00 N ATOM 212 CA ILE A 14 -13.031 -4.801 -19.703 1.00 0.00 C ATOM 213 C ILE A 14 -14.387 -5.413 -20.038 1.00 0.00 C ATOM 214 O ILE A 14 -15.273 -5.488 -19.186 1.00 0.00 O ATOM 215 CB ILE A 14 -12.166 -5.858 -18.990 1.00 0.00 C ATOM 216 CG1 ILE A 14 -10.790 -5.279 -18.653 1.00 0.00 C ATOM 217 CG2 ILE A 14 -12.026 -7.100 -19.857 1.00 0.00 C ATOM 218 CD1 ILE A 14 -10.023 -4.799 -19.865 1.00 0.00 C ATOM 0 H ILE A 14 -12.934 -3.721 -17.909 1.00 0.00 H new ATOM 0 HA ILE A 14 -12.534 -4.498 -20.625 1.00 0.00 H new ATOM 0 HB ILE A 14 -12.658 -6.142 -18.060 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -10.915 -4.448 -17.959 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -10.202 -6.038 -18.138 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -11.412 -7.838 -19.340 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -13.012 -7.521 -20.052 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -11.553 -6.833 -20.802 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -9.058 -4.402 -19.551 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -9.867 -5.632 -20.550 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -10.591 -4.017 -20.369 1.00 0.00 H new ATOM 230 N ARG A 15 -14.542 -5.849 -21.284 1.00 0.00 N ATOM 231 CA ARG A 15 -15.790 -6.455 -21.732 1.00 0.00 C ATOM 232 C ARG A 15 -16.139 -7.673 -20.881 1.00 0.00 C ATOM 233 O ARG A 15 -15.258 -8.416 -20.452 1.00 0.00 O ATOM 234 CB ARG A 15 -15.686 -6.860 -23.203 1.00 0.00 C ATOM 235 CG ARG A 15 -14.415 -7.624 -23.536 1.00 0.00 C ATOM 236 CD ARG A 15 -14.628 -8.579 -24.700 1.00 0.00 C ATOM 237 NE ARG A 15 -13.588 -9.602 -24.766 1.00 0.00 N ATOM 238 CZ ARG A 15 -13.712 -10.734 -25.449 1.00 0.00 C ATOM 239 NH1 ARG A 15 -14.826 -10.987 -26.122 1.00 0.00 N ATOM 240 NH2 ARG A 15 -12.721 -11.616 -25.461 1.00 0.00 N ATOM 0 H ARG A 15 -13.819 -5.794 -22.001 1.00 0.00 H new ATOM 0 HA ARG A 15 -16.584 -5.716 -21.621 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -16.548 -7.474 -23.464 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -15.734 -5.964 -23.822 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -13.620 -6.920 -23.782 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -14.086 -8.183 -22.660 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -15.602 -9.058 -24.602 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -14.642 -8.016 -25.633 1.00 0.00 H new ATOM 0 HE ARG A 15 -12.718 -9.438 -24.259 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -15.590 -10.311 -26.116 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -14.919 -11.857 -26.646 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -11.862 -11.425 -24.945 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -12.818 -12.485 -25.986 1.00 0.00 H new ATOM 254 N GLY A 16 -17.432 -7.870 -20.641 1.00 0.00 N ATOM 255 CA GLY A 16 -17.875 -8.998 -19.843 1.00 0.00 C ATOM 256 C GLY A 16 -17.246 -9.014 -18.463 1.00 0.00 C ATOM 257 O GLY A 16 -17.613 -8.219 -17.597 1.00 0.00 O ATOM 0 H GLY A 16 -18.180 -7.268 -20.985 1.00 0.00 H new ATOM 0 HA2 GLY A 16 -18.960 -8.966 -19.744 1.00 0.00 H new ATOM 0 HA3 GLY A 16 -17.630 -9.925 -20.362 1.00 0.00 H new ATOM 261 N ARG A 17 -16.298 -9.922 -18.257 1.00 0.00 N ATOM 262 CA ARG A 17 -15.620 -10.040 -16.972 1.00 0.00 C ATOM 263 C ARG A 17 -14.679 -8.861 -16.744 1.00 0.00 C ATOM 264 O ARG A 17 -13.646 -8.742 -17.403 1.00 0.00 O ATOM 265 CB ARG A 17 -14.836 -11.352 -16.904 1.00 0.00 C ATOM 266 CG ARG A 17 -14.283 -11.660 -15.522 1.00 0.00 C ATOM 267 CD ARG A 17 -14.147 -13.158 -15.298 1.00 0.00 C ATOM 268 NE ARG A 17 -15.424 -13.778 -14.951 1.00 0.00 N ATOM 269 CZ ARG A 17 -15.984 -13.683 -13.751 1.00 0.00 C ATOM 270 NH1 ARG A 17 -15.385 -12.998 -12.788 1.00 0.00 N ATOM 271 NH2 ARG A 17 -17.148 -14.275 -13.512 1.00 0.00 N ATOM 0 H ARG A 17 -15.982 -10.587 -18.963 1.00 0.00 H new ATOM 0 HA ARG A 17 -16.377 -10.036 -16.188 1.00 0.00 H new ATOM 0 HB2 ARG A 17 -15.485 -12.170 -17.217 1.00 0.00 H new ATOM 0 HB3 ARG A 17 -14.011 -11.310 -17.615 1.00 0.00 H new ATOM 0 HG2 ARG A 17 -13.310 -11.183 -15.404 1.00 0.00 H new ATOM 0 HG3 ARG A 17 -14.940 -11.236 -14.763 1.00 0.00 H new ATOM 0 HD2 ARG A 17 -13.751 -13.625 -16.200 1.00 0.00 H new ATOM 0 HD3 ARG A 17 -13.427 -13.341 -14.501 1.00 0.00 H new ATOM 0 HE ARG A 17 -15.912 -14.313 -15.670 1.00 0.00 H new ATOM 0 HH11 ARG A 17 -14.491 -12.541 -12.967 1.00 0.00 H new ATOM 0 HH12 ARG A 17 -15.818 -12.927 -11.867 1.00 0.00 H new ATOM 0 HH21 ARG A 17 -17.613 -14.803 -14.251 1.00 0.00 H new ATOM 0 HH22 ARG A 17 -17.578 -14.202 -12.590 1.00 0.00 H new TER 285 ARG A 17