USER MOD reduce.3.24.130724 H: found=0, std=0, add=137, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 137 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 NoAdj-H: A 1 GLY H1 : A 1 GLY N : A 18 ARG C :(NH2R) USER MOD NoAdj-H: A 1 GLY H3 : A 1 GLY N : A 18 ARG C :(NH2R) USER MOD Single : A 1 GLY N :NH3+ 180:sc= -0.191 (180deg=-0.191) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.171 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.680 -0.883 2.437 1.00 0.00 N ATOM 2 CA GLY A 1 -11.896 -2.217 1.941 1.00 0.00 C ATOM 3 C GLY A 1 -11.135 -2.484 0.661 1.00 0.00 C ATOM 4 O GLY A 1 -11.298 -3.527 0.049 1.00 0.00 O ATOM 0 H2 GLY A 1 -12.221 -0.747 3.315 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.591 -2.938 2.699 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.961 -2.369 1.766 1.00 0.00 H new ATOM 8 N PHE A 2 -10.314 -1.547 0.258 1.00 0.00 N ATOM 9 CA PHE A 2 -9.542 -1.669 -0.951 1.00 0.00 C ATOM 10 C PHE A 2 -8.065 -1.642 -0.643 1.00 0.00 C ATOM 11 O PHE A 2 -7.580 -0.781 0.108 1.00 0.00 O ATOM 12 CB PHE A 2 -9.914 -0.551 -1.950 1.00 0.00 C ATOM 13 CG PHE A 2 -9.009 -0.457 -3.166 1.00 0.00 C ATOM 14 CD1 PHE A 2 -8.958 -1.478 -4.096 1.00 0.00 C ATOM 15 CD2 PHE A 2 -8.216 0.661 -3.364 1.00 0.00 C ATOM 16 CE1 PHE A 2 -8.131 -1.392 -5.198 1.00 0.00 C ATOM 17 CE2 PHE A 2 -7.387 0.754 -4.467 1.00 0.00 C ATOM 18 CZ PHE A 2 -7.344 -0.273 -5.383 1.00 0.00 C ATOM 0 H PHE A 2 -10.162 -0.674 0.763 1.00 0.00 H new ATOM 0 HA PHE A 2 -9.776 -2.628 -1.412 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -10.938 -0.711 -2.288 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -9.897 0.405 -1.427 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -9.573 -2.355 -3.959 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -8.245 1.470 -2.649 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -8.100 -2.199 -5.915 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -6.774 1.632 -4.610 1.00 0.00 H new ATOM 0 HZ PHE A 2 -6.696 -0.203 -6.244 1.00 0.00 H new ATOM 28 N CYS A 3 -7.365 -2.572 -1.206 1.00 0.00 N ATOM 29 CA CYS A 3 -5.937 -2.636 -1.060 1.00 0.00 C ATOM 30 C CYS A 3 -5.268 -2.291 -2.361 1.00 0.00 C ATOM 31 O CYS A 3 -5.693 -2.729 -3.428 1.00 0.00 O ATOM 32 CB CYS A 3 -5.459 -4.020 -0.613 1.00 0.00 C ATOM 33 SG CYS A 3 -6.008 -4.546 1.043 1.00 0.00 S ATOM 0 H CYS A 3 -7.763 -3.313 -1.783 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.667 -1.916 -0.288 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -5.802 -4.756 -1.340 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -4.369 -4.033 -0.636 1.00 0.00 H new ATOM 38 N ARG A 4 -4.267 -1.487 -2.269 1.00 0.00 N ATOM 39 CA ARG A 4 -3.422 -1.143 -3.376 1.00 0.00 C ATOM 40 C ARG A 4 -1.997 -1.248 -2.889 1.00 0.00 C ATOM 41 O ARG A 4 -1.658 -0.675 -1.853 1.00 0.00 O ATOM 42 CB ARG A 4 -3.731 0.271 -3.899 1.00 0.00 C ATOM 43 CG ARG A 4 -2.745 0.734 -4.948 1.00 0.00 C ATOM 44 CD ARG A 4 -3.119 2.049 -5.589 1.00 0.00 C ATOM 45 NE ARG A 4 -2.015 2.512 -6.432 1.00 0.00 N ATOM 46 CZ ARG A 4 -1.914 2.350 -7.759 1.00 0.00 C ATOM 47 NH1 ARG A 4 -2.926 1.850 -8.470 1.00 0.00 N ATOM 48 NH2 ARG A 4 -0.802 2.722 -8.378 1.00 0.00 N ATOM 0 H ARG A 4 -3.999 -1.032 -1.396 1.00 0.00 H new ATOM 0 HA ARG A 4 -3.593 -1.819 -4.213 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -4.737 0.287 -4.319 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -3.723 0.972 -3.065 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -1.760 0.829 -4.492 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -2.666 -0.029 -5.722 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -4.022 1.930 -6.187 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -3.340 2.790 -4.821 1.00 0.00 H new ATOM 0 HE ARG A 4 -1.252 3.003 -5.966 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -3.794 1.584 -8.005 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -2.832 1.734 -9.479 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -0.033 3.127 -7.845 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -0.716 2.603 -9.387 1.00 0.00 H new ATOM 62 N CYS A 5 -1.180 -2.000 -3.567 1.00 0.00 N ATOM 63 CA CYS A 5 0.149 -2.216 -3.081 1.00 0.00 C ATOM 64 C CYS A 5 1.180 -1.349 -3.772 1.00 0.00 C ATOM 65 O CYS A 5 1.007 -0.934 -4.929 1.00 0.00 O ATOM 66 CB CYS A 5 0.522 -3.691 -3.128 1.00 0.00 C ATOM 67 SG CYS A 5 -0.637 -4.781 -2.222 1.00 0.00 S ATOM 0 H CYS A 5 -1.406 -2.467 -4.445 1.00 0.00 H new ATOM 0 HA CYS A 5 0.152 -1.906 -2.036 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.567 -4.011 -4.169 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.522 -3.816 -2.713 1.00 0.00 H new ATOM 72 N LEU A 6 2.221 -1.044 -3.043 1.00 0.00 N ATOM 73 CA LEU A 6 3.317 -0.255 -3.549 1.00 0.00 C ATOM 74 C LEU A 6 4.644 -0.850 -3.096 1.00 0.00 C ATOM 75 O LEU A 6 4.707 -1.510 -2.051 1.00 0.00 O ATOM 76 CB LEU A 6 3.158 1.240 -3.135 1.00 0.00 C ATOM 77 CG LEU A 6 2.956 1.575 -1.628 1.00 0.00 C ATOM 78 CD1 LEU A 6 4.236 1.416 -0.811 1.00 0.00 C ATOM 79 CD2 LEU A 6 2.396 2.976 -1.469 1.00 0.00 C ATOM 0 H LEU A 6 2.335 -1.338 -2.073 1.00 0.00 H new ATOM 0 HA LEU A 6 3.306 -0.280 -4.639 1.00 0.00 H new ATOM 0 HB2 LEU A 6 4.044 1.775 -3.478 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.308 1.647 -3.682 1.00 0.00 H new ATOM 0 HG LEU A 6 2.240 0.853 -1.236 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.035 1.663 0.232 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.586 0.386 -0.879 1.00 0.00 H new ATOM 0 HD13 LEU A 6 5.002 2.086 -1.201 1.00 0.00 H new ATOM 0 HD21 LEU A 6 2.260 3.196 -0.410 1.00 0.00 H new ATOM 0 HD22 LEU A 6 3.089 3.696 -1.903 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.435 3.044 -1.980 1.00 0.00 H new ATOM 91 N CYS A 7 5.669 -0.661 -3.878 1.00 0.00 N ATOM 92 CA CYS A 7 6.984 -1.138 -3.513 1.00 0.00 C ATOM 93 C CYS A 7 7.977 -0.002 -3.471 1.00 0.00 C ATOM 94 O CYS A 7 8.120 0.762 -4.434 1.00 0.00 O ATOM 95 CB CYS A 7 7.446 -2.290 -4.414 1.00 0.00 C ATOM 96 SG CYS A 7 6.386 -3.787 -4.310 1.00 0.00 S ATOM 0 H CYS A 7 5.625 -0.179 -4.776 1.00 0.00 H new ATOM 0 HA CYS A 7 6.923 -1.549 -2.505 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.468 -1.944 -5.447 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.467 -2.561 -4.146 1.00 0.00 H new ATOM 101 N ARG A 8 8.621 0.129 -2.347 1.00 0.00 N ATOM 102 CA ARG A 8 9.566 1.180 -2.093 1.00 0.00 C ATOM 103 C ARG A 8 10.902 0.586 -1.657 1.00 0.00 C ATOM 104 O ARG A 8 11.021 0.096 -0.537 1.00 0.00 O ATOM 105 CB ARG A 8 9.009 2.061 -0.987 1.00 0.00 C ATOM 106 CG ARG A 8 9.965 3.102 -0.449 1.00 0.00 C ATOM 107 CD ARG A 8 9.376 3.739 0.778 1.00 0.00 C ATOM 108 NE ARG A 8 9.000 2.720 1.769 1.00 0.00 N ATOM 109 CZ ARG A 8 8.079 2.890 2.710 1.00 0.00 C ATOM 110 NH1 ARG A 8 7.551 4.087 2.903 1.00 0.00 N ATOM 111 NH2 ARG A 8 7.707 1.873 3.473 1.00 0.00 N ATOM 0 H ARG A 8 8.501 -0.509 -1.560 1.00 0.00 H new ATOM 0 HA ARG A 8 9.727 1.766 -2.998 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.119 2.567 -1.361 1.00 0.00 H new ATOM 0 HB3 ARG A 8 8.690 1.423 -0.163 1.00 0.00 H new ATOM 0 HG2 ARG A 8 10.923 2.641 -0.208 1.00 0.00 H new ATOM 0 HG3 ARG A 8 10.158 3.860 -1.208 1.00 0.00 H new ATOM 0 HD2 ARG A 8 10.097 4.429 1.216 1.00 0.00 H new ATOM 0 HD3 ARG A 8 8.499 4.326 0.503 1.00 0.00 H new ATOM 0 HE ARG A 8 9.480 1.821 1.731 1.00 0.00 H new ATOM 0 HH11 ARG A 8 7.852 4.875 2.330 1.00 0.00 H new ATOM 0 HH12 ARG A 8 6.843 4.222 3.625 1.00 0.00 H new ATOM 0 HH21 ARG A 8 8.129 0.954 3.339 1.00 0.00 H new ATOM 0 HH22 ARG A 8 6.999 2.009 4.195 1.00 0.00 H new ATOM 125 N ARG A 9 11.877 0.601 -2.558 1.00 0.00 N ATOM 126 CA ARG A 9 13.243 0.112 -2.292 1.00 0.00 C ATOM 127 C ARG A 9 13.232 -1.349 -1.755 1.00 0.00 C ATOM 128 O ARG A 9 13.880 -1.693 -0.763 1.00 0.00 O ATOM 129 CB ARG A 9 13.992 1.082 -1.335 1.00 0.00 C ATOM 130 CG ARG A 9 15.454 0.732 -1.087 1.00 0.00 C ATOM 131 CD ARG A 9 16.098 1.674 -0.098 1.00 0.00 C ATOM 132 NE ARG A 9 17.427 1.203 0.296 1.00 0.00 N ATOM 133 CZ ARG A 9 18.165 1.698 1.297 1.00 0.00 C ATOM 134 NH1 ARG A 9 17.760 2.774 1.964 1.00 0.00 N ATOM 135 NH2 ARG A 9 19.316 1.125 1.607 1.00 0.00 N ATOM 0 H ARG A 9 11.750 0.955 -3.506 1.00 0.00 H new ATOM 0 HA ARG A 9 13.789 0.092 -3.235 1.00 0.00 H new ATOM 0 HB2 ARG A 9 13.939 2.090 -1.747 1.00 0.00 H new ATOM 0 HB3 ARG A 9 13.470 1.101 -0.378 1.00 0.00 H new ATOM 0 HG2 ARG A 9 15.525 -0.290 -0.714 1.00 0.00 H new ATOM 0 HG3 ARG A 9 16.000 0.766 -2.030 1.00 0.00 H new ATOM 0 HD2 ARG A 9 16.178 2.668 -0.538 1.00 0.00 H new ATOM 0 HD3 ARG A 9 15.466 1.766 0.785 1.00 0.00 H new ATOM 0 HE ARG A 9 17.825 0.431 -0.239 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.882 3.228 1.714 1.00 0.00 H new ATOM 0 HH12 ARG A 9 18.328 3.146 2.726 1.00 0.00 H new ATOM 0 HH21 ARG A 9 19.637 0.310 1.084 1.00 0.00 H new ATOM 0 HH22 ARG A 9 19.883 1.498 2.369 1.00 0.00 H new ATOM 149 N GLY A 10 12.431 -2.176 -2.380 1.00 0.00 N ATOM 150 CA GLY A 10 12.353 -3.566 -1.999 1.00 0.00 C ATOM 151 C GLY A 10 11.382 -3.807 -0.862 1.00 0.00 C ATOM 152 O GLY A 10 11.147 -4.947 -0.464 1.00 0.00 O ATOM 0 H GLY A 10 11.823 -1.912 -3.155 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.050 -4.159 -2.862 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.343 -3.914 -1.706 1.00 0.00 H new ATOM 156 N ASP A 11 10.846 -2.758 -0.319 1.00 0.00 N ATOM 157 CA ASP A 11 9.879 -2.861 0.749 1.00 0.00 C ATOM 158 C ASP A 11 8.509 -2.631 0.198 1.00 0.00 C ATOM 159 O ASP A 11 8.143 -1.505 -0.155 1.00 0.00 O ATOM 160 CB ASP A 11 10.200 -1.865 1.865 1.00 0.00 C ATOM 161 CG ASP A 11 9.143 -1.782 2.954 1.00 0.00 C ATOM 162 OD1 ASP A 11 8.768 -2.815 3.526 1.00 0.00 O ATOM 163 OD2 ASP A 11 8.738 -0.641 3.310 1.00 0.00 O ATOM 0 H ASP A 11 11.062 -1.801 -0.599 1.00 0.00 H new ATOM 0 HA ASP A 11 9.922 -3.861 1.181 1.00 0.00 H new ATOM 0 HB2 ASP A 11 11.152 -2.141 2.319 1.00 0.00 H new ATOM 0 HB3 ASP A 11 10.331 -0.876 1.426 1.00 0.00 H new ATOM 168 N CYS A 12 7.784 -3.687 0.042 1.00 0.00 N ATOM 169 CA CYS A 12 6.455 -3.594 -0.454 1.00 0.00 C ATOM 170 C CYS A 12 5.493 -3.518 0.690 1.00 0.00 C ATOM 171 O CYS A 12 5.576 -4.285 1.667 1.00 0.00 O ATOM 172 CB CYS A 12 6.108 -4.744 -1.397 1.00 0.00 C ATOM 173 SG CYS A 12 7.244 -4.918 -2.839 1.00 0.00 S ATOM 0 H CYS A 12 8.095 -4.635 0.254 1.00 0.00 H new ATOM 0 HA CYS A 12 6.378 -2.681 -1.044 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.114 -5.676 -0.831 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.092 -4.601 -1.766 1.00 0.00 H new ATOM 178 N ARG A 13 4.614 -2.600 0.580 1.00 0.00 N ATOM 179 CA ARG A 13 3.623 -2.336 1.568 1.00 0.00 C ATOM 180 C ARG A 13 2.320 -2.160 0.858 1.00 0.00 C ATOM 181 O ARG A 13 2.285 -1.639 -0.268 1.00 0.00 O ATOM 182 CB ARG A 13 3.977 -1.065 2.362 1.00 0.00 C ATOM 183 CG ARG A 13 2.944 -0.673 3.414 1.00 0.00 C ATOM 184 CD ARG A 13 3.349 0.584 4.151 1.00 0.00 C ATOM 185 NE ARG A 13 2.339 0.998 5.137 1.00 0.00 N ATOM 186 CZ ARG A 13 2.613 1.534 6.333 1.00 0.00 C ATOM 187 NH1 ARG A 13 3.877 1.654 6.741 1.00 0.00 N ATOM 188 NH2 ARG A 13 1.624 1.937 7.117 1.00 0.00 N ATOM 0 H ARG A 13 4.555 -1.982 -0.230 1.00 0.00 H new ATOM 0 HA ARG A 13 3.564 -3.160 2.279 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.939 -1.213 2.852 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.099 -0.237 1.664 1.00 0.00 H new ATOM 0 HG2 ARG A 13 1.977 -0.519 2.935 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.821 -1.489 4.126 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.300 0.417 4.656 1.00 0.00 H new ATOM 0 HD3 ARG A 13 3.506 1.390 3.434 1.00 0.00 H new ATOM 0 HE ARG A 13 1.358 0.867 4.892 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.639 1.337 6.141 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.082 2.063 7.653 1.00 0.00 H new ATOM 0 HH21 ARG A 13 0.657 1.839 6.809 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.830 2.346 8.029 1.00 0.00 H new ATOM 202 N CYS A 14 1.269 -2.606 1.447 1.00 0.00 N ATOM 203 CA CYS A 14 0.009 -2.433 0.841 1.00 0.00 C ATOM 204 C CYS A 14 -0.808 -1.447 1.606 1.00 0.00 C ATOM 205 O CYS A 14 -0.828 -1.440 2.844 1.00 0.00 O ATOM 206 CB CYS A 14 -0.730 -3.742 0.642 1.00 0.00 C ATOM 207 SG CYS A 14 0.180 -4.962 -0.373 1.00 0.00 S ATOM 0 H CYS A 14 1.261 -3.091 2.344 1.00 0.00 H new ATOM 0 HA CYS A 14 0.182 -2.033 -0.158 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.940 -4.181 1.617 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.691 -3.537 0.171 1.00 0.00 H new ATOM 212 N ILE A 15 -1.441 -0.599 0.884 1.00 0.00 N ATOM 213 CA ILE A 15 -2.276 0.410 1.456 1.00 0.00 C ATOM 214 C ILE A 15 -3.705 -0.076 1.371 1.00 0.00 C ATOM 215 O ILE A 15 -4.314 -0.078 0.286 1.00 0.00 O ATOM 216 CB ILE A 15 -2.137 1.766 0.697 1.00 0.00 C ATOM 217 CG1 ILE A 15 -0.664 2.235 0.650 1.00 0.00 C ATOM 218 CG2 ILE A 15 -3.024 2.845 1.322 1.00 0.00 C ATOM 219 CD1 ILE A 15 -0.019 2.470 2.008 1.00 0.00 C ATOM 0 H ILE A 15 -1.399 -0.579 -0.135 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.978 0.584 2.490 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.473 1.601 -0.327 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.079 1.490 0.111 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.611 3.159 0.075 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.905 3.778 0.771 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.066 2.529 1.279 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.733 2.998 2.361 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.012 2.796 1.870 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -0.574 3.239 2.546 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -0.033 1.544 2.582 1.00 0.00 H new ATOM 231 N CYS A 16 -4.212 -0.553 2.464 1.00 0.00 N ATOM 232 CA CYS A 16 -5.567 -0.990 2.513 1.00 0.00 C ATOM 233 C CYS A 16 -6.359 -0.002 3.298 1.00 0.00 C ATOM 234 O CYS A 16 -6.001 0.358 4.424 1.00 0.00 O ATOM 235 CB CYS A 16 -5.696 -2.363 3.124 1.00 0.00 C ATOM 236 SG CYS A 16 -4.690 -3.657 2.309 1.00 0.00 S ATOM 0 H CYS A 16 -3.700 -0.649 3.341 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.946 -1.058 1.493 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -5.411 -2.307 4.174 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -6.744 -2.663 3.094 1.00 0.00 H new ATOM 241 N THR A 17 -7.364 0.476 2.687 1.00 0.00 N ATOM 242 CA THR A 17 -8.267 1.441 3.247 1.00 0.00 C ATOM 243 C THR A 17 -9.561 1.352 2.458 1.00 0.00 C ATOM 244 O THR A 17 -9.532 1.058 1.258 1.00 0.00 O ATOM 245 CB THR A 17 -7.692 2.892 3.157 1.00 0.00 C ATOM 246 OG1 THR A 17 -6.402 2.959 3.795 1.00 0.00 O ATOM 247 CG2 THR A 17 -8.616 3.900 3.832 1.00 0.00 C ATOM 0 H THR A 17 -7.608 0.204 1.735 1.00 0.00 H new ATOM 0 HA THR A 17 -8.425 1.226 4.304 1.00 0.00 H new ATOM 0 HB THR A 17 -7.604 3.139 2.099 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.052 3.872 3.730 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.186 4.898 3.751 1.00 0.00 H new ATOM 0 HG22 THR A 17 -9.591 3.884 3.344 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.732 3.639 4.884 1.00 0.00 H new ATOM 255 N ARG A 18 -10.674 1.518 3.147 1.00 0.00 N ATOM 256 CA ARG A 18 -12.015 1.517 2.577 1.00 0.00 C ATOM 257 C ARG A 18 -12.342 0.148 1.949 1.00 0.00 C ATOM 258 O ARG A 18 -13.151 0.036 1.031 1.00 0.00 O ATOM 259 CB ARG A 18 -12.149 2.644 1.545 1.00 0.00 C ATOM 260 CG ARG A 18 -13.573 3.010 1.210 1.00 0.00 C ATOM 261 CD ARG A 18 -13.640 3.963 0.036 1.00 0.00 C ATOM 262 NE ARG A 18 -12.759 5.117 0.224 1.00 0.00 N ATOM 263 CZ ARG A 18 -12.958 6.333 -0.268 1.00 0.00 C ATOM 264 NH1 ARG A 18 -14.076 6.618 -0.925 1.00 0.00 N ATOM 265 NH2 ARG A 18 -12.038 7.268 -0.077 1.00 0.00 N ATOM 0 H ARG A 18 -10.673 1.663 4.157 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.735 1.694 3.376 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.637 3.529 1.922 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -11.637 2.346 0.630 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -14.137 2.106 0.979 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.046 3.468 2.079 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -13.360 3.436 -0.876 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.666 4.306 -0.096 1.00 0.00 H new ATOM 0 HE ARG A 18 -11.918 4.973 0.783 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -14.789 5.900 -1.054 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -14.222 7.555 -1.300 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -11.189 7.049 0.443 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -12.180 8.207 -0.450 1.00 0.00 H new TER 279 ARG A 18