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= -0.4 (180deg=-0.4) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.037 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.279 -0.545 2.088 1.00 0.00 N ATOM 2 CA GLY A 1 -12.759 -1.867 1.809 1.00 0.00 C ATOM 3 C GLY A 1 -12.113 -2.476 0.594 1.00 0.00 C ATOM 4 O GLY A 1 -12.308 -3.655 0.304 1.00 0.00 O ATOM 0 H2 GLY A 1 -12.757 -0.174 2.934 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.574 -2.506 2.672 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.839 -1.834 1.663 1.00 0.00 H new ATOM 8 N ASP A 2 -11.336 -1.694 -0.109 1.00 0.00 N ATOM 9 CA ASP A 2 -10.694 -2.168 -1.315 1.00 0.00 C ATOM 10 C ASP A 2 -9.237 -2.434 -1.032 1.00 0.00 C ATOM 11 O ASP A 2 -8.554 -1.594 -0.420 1.00 0.00 O ATOM 12 CB ASP A 2 -10.844 -1.145 -2.439 1.00 0.00 C ATOM 13 CG ASP A 2 -10.247 -1.613 -3.746 1.00 0.00 C ATOM 14 OD1 ASP A 2 -10.894 -2.424 -4.462 1.00 0.00 O ATOM 15 OD2 ASP A 2 -9.152 -1.159 -4.107 1.00 0.00 O ATOM 0 H ASP A 2 -11.130 -0.724 0.130 1.00 0.00 H new ATOM 0 HA ASP A 2 -11.172 -3.093 -1.637 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -11.902 -0.927 -2.586 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -10.365 -0.212 -2.140 1.00 0.00 H new ATOM 20 N CYS A 3 -8.772 -3.596 -1.401 1.00 0.00 N ATOM 21 CA CYS A 3 -7.408 -3.948 -1.175 1.00 0.00 C ATOM 22 C CYS A 3 -6.559 -3.636 -2.352 1.00 0.00 C ATOM 23 O CYS A 3 -6.968 -3.805 -3.506 1.00 0.00 O ATOM 24 CB CYS A 3 -7.245 -5.384 -0.751 1.00 0.00 C ATOM 25 SG CYS A 3 -8.111 -5.785 0.810 1.00 0.00 S ATOM 0 H CYS A 3 -9.327 -4.316 -1.863 1.00 0.00 H new ATOM 0 HA CYS A 3 -7.066 -3.332 -0.344 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -7.619 -6.033 -1.542 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -6.183 -5.602 -0.635 1.00 0.00 H new ATOM 30 N ARG A 4 -5.395 -3.172 -2.064 1.00 0.00 N ATOM 31 CA ARG A 4 -4.467 -2.766 -3.080 1.00 0.00 C ATOM 32 C ARG A 4 -3.045 -3.066 -2.632 1.00 0.00 C ATOM 33 O ARG A 4 -2.666 -2.778 -1.493 1.00 0.00 O ATOM 34 CB ARG A 4 -4.623 -1.259 -3.326 1.00 0.00 C ATOM 35 CG ARG A 4 -3.956 -0.733 -4.594 1.00 0.00 C ATOM 36 CD ARG A 4 -4.560 -1.384 -5.834 1.00 0.00 C ATOM 37 NE ARG A 4 -6.027 -1.302 -5.824 1.00 0.00 N ATOM 38 CZ ARG A 4 -6.853 -1.913 -6.680 1.00 0.00 C ATOM 39 NH1 ARG A 4 -6.383 -2.528 -7.767 1.00 0.00 N ATOM 40 NH2 ARG A 4 -8.152 -1.900 -6.446 1.00 0.00 N ATOM 0 H ARG A 4 -5.049 -3.059 -1.111 1.00 0.00 H new ATOM 0 HA ARG A 4 -4.671 -3.314 -4.000 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -5.686 -1.023 -3.370 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -4.212 -0.723 -2.470 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -4.075 0.349 -4.651 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -2.885 -0.934 -4.557 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -4.173 -0.895 -6.728 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -4.253 -2.429 -5.884 1.00 0.00 H new ATOM 0 HE ARG A 4 -6.454 -0.727 -5.098 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -5.380 -2.537 -7.955 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -7.026 -2.989 -8.410 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -8.517 -1.427 -5.619 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -8.791 -2.363 -7.092 1.00 0.00 H new ATOM 54 N CYS A 5 -2.272 -3.663 -3.486 1.00 0.00 N ATOM 55 CA CYS A 5 -0.889 -3.877 -3.161 1.00 0.00 C ATOM 56 C CYS A 5 -0.041 -2.896 -3.892 1.00 0.00 C ATOM 57 O CYS A 5 -0.258 -2.620 -5.086 1.00 0.00 O ATOM 58 CB CYS A 5 -0.405 -5.287 -3.453 1.00 0.00 C ATOM 59 SG CYS A 5 -1.294 -6.622 -2.581 1.00 0.00 S ATOM 0 H CYS A 5 -2.565 -4.007 -4.400 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.801 -3.735 -2.084 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.482 -5.464 -4.526 1.00 0.00 H new ATOM 0 HB3 CYS A 5 0.652 -5.350 -3.195 1.00 0.00 H new ATOM 64 N LEU A 6 0.889 -2.362 -3.201 1.00 0.00 N ATOM 65 CA LEU A 6 1.812 -1.415 -3.776 1.00 0.00 C ATOM 66 C LEU A 6 3.190 -1.653 -3.225 1.00 0.00 C ATOM 67 O LEU A 6 3.338 -2.121 -2.096 1.00 0.00 O ATOM 68 CB LEU A 6 1.399 0.071 -3.553 1.00 0.00 C ATOM 69 CG LEU A 6 1.448 0.638 -2.117 1.00 0.00 C ATOM 70 CD1 LEU A 6 1.318 2.149 -2.162 1.00 0.00 C ATOM 71 CD2 LEU A 6 0.334 0.067 -1.252 1.00 0.00 C ATOM 0 H LEU A 6 1.048 -2.558 -2.213 1.00 0.00 H new ATOM 0 HA LEU A 6 1.798 -1.579 -4.853 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.042 0.692 -4.177 1.00 0.00 H new ATOM 0 HB3 LEU A 6 0.381 0.192 -3.924 1.00 0.00 H new ATOM 0 HG LEU A 6 2.404 0.353 -1.677 1.00 0.00 H new ATOM 0 HD11 LEU A 6 1.353 2.548 -1.148 1.00 0.00 H new ATOM 0 HD12 LEU A 6 2.139 2.568 -2.745 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.369 2.419 -2.626 1.00 0.00 H new ATOM 0 HD21 LEU A 6 0.400 0.488 -0.249 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.632 0.320 -1.689 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.435 -1.017 -1.198 1.00 0.00 H new ATOM 83 N CYS A 7 4.186 -1.369 -3.997 1.00 0.00 N ATOM 84 CA CYS A 7 5.528 -1.531 -3.535 1.00 0.00 C ATOM 85 C CYS A 7 6.253 -0.209 -3.644 1.00 0.00 C ATOM 86 O CYS A 7 6.030 0.572 -4.581 1.00 0.00 O ATOM 87 CB CYS A 7 6.277 -2.614 -4.302 1.00 0.00 C ATOM 88 SG CYS A 7 5.388 -4.218 -4.464 1.00 0.00 S ATOM 0 H CYS A 7 4.098 -1.023 -4.952 1.00 0.00 H new ATOM 0 HA CYS A 7 5.491 -1.852 -2.494 1.00 0.00 H new ATOM 0 HB2 CYS A 7 6.502 -2.240 -5.301 1.00 0.00 H new ATOM 0 HB3 CYS A 7 7.231 -2.794 -3.806 1.00 0.00 H new ATOM 93 N ARG A 8 7.083 0.041 -2.684 1.00 0.00 N ATOM 94 CA ARG A 8 7.839 1.277 -2.553 1.00 0.00 C ATOM 95 C ARG A 8 9.211 0.931 -2.054 1.00 0.00 C ATOM 96 O ARG A 8 9.328 0.219 -1.067 1.00 0.00 O ATOM 97 CB ARG A 8 7.172 2.232 -1.532 1.00 0.00 C ATOM 98 CG ARG A 8 5.781 2.715 -1.903 1.00 0.00 C ATOM 99 CD ARG A 8 5.799 3.467 -3.216 1.00 0.00 C ATOM 100 NE ARG A 8 4.466 3.891 -3.621 1.00 0.00 N ATOM 101 CZ ARG A 8 3.895 3.588 -4.790 1.00 0.00 C ATOM 102 NH1 ARG A 8 4.426 2.652 -5.569 1.00 0.00 N ATOM 103 NH2 ARG A 8 2.757 4.161 -5.137 1.00 0.00 N ATOM 0 H ARG A 8 7.271 -0.624 -1.934 1.00 0.00 H new ATOM 0 HA ARG A 8 7.877 1.775 -3.522 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.117 1.725 -0.569 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.816 3.101 -1.399 1.00 0.00 H new ATOM 0 HG2 ARG A 8 5.104 1.864 -1.977 1.00 0.00 H new ATOM 0 HG3 ARG A 8 5.395 3.362 -1.115 1.00 0.00 H new ATOM 0 HD2 ARG A 8 6.445 4.340 -3.125 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.229 2.832 -3.991 1.00 0.00 H new ATOM 0 HE ARG A 8 3.930 4.460 -2.965 1.00 0.00 H new ATOM 0 HH11 ARG A 8 5.271 2.163 -5.275 1.00 0.00 H new ATOM 0 HH12 ARG A 8 3.988 2.422 -6.461 1.00 0.00 H new ATOM 0 HH21 ARG A 8 2.314 4.835 -4.512 1.00 0.00 H new ATOM 0 HH22 ARG A 8 2.321 3.930 -6.030 1.00 0.00 H new ATOM 117 N ARG A 9 10.241 1.375 -2.766 1.00 0.00 N ATOM 118 CA ARG A 9 11.649 1.145 -2.384 1.00 0.00 C ATOM 119 C ARG A 9 11.948 -0.378 -2.319 1.00 0.00 C ATOM 120 O ARG A 9 12.760 -0.861 -1.519 1.00 0.00 O ATOM 121 CB ARG A 9 11.978 1.887 -1.045 1.00 0.00 C ATOM 122 CG ARG A 9 13.449 1.861 -0.613 1.00 0.00 C ATOM 123 CD ARG A 9 14.359 2.505 -1.651 1.00 0.00 C ATOM 124 NE ARG A 9 14.088 3.935 -1.839 1.00 0.00 N ATOM 125 CZ ARG A 9 14.421 4.642 -2.937 1.00 0.00 C ATOM 126 NH1 ARG A 9 14.864 4.021 -4.035 1.00 0.00 N ATOM 127 NH2 ARG A 9 14.260 5.958 -2.944 1.00 0.00 N ATOM 0 H ARG A 9 10.133 1.908 -3.629 1.00 0.00 H new ATOM 0 HA ARG A 9 12.306 1.564 -3.146 1.00 0.00 H new ATOM 0 HB2 ARG A 9 11.665 2.927 -1.141 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.377 1.446 -0.250 1.00 0.00 H new ATOM 0 HG2 ARG A 9 13.557 2.383 0.338 1.00 0.00 H new ATOM 0 HG3 ARG A 9 13.760 0.830 -0.448 1.00 0.00 H new ATOM 0 HD2 ARG A 9 15.398 2.374 -1.348 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.238 1.989 -2.603 1.00 0.00 H new ATOM 0 HE ARG A 9 13.613 4.430 -1.084 1.00 0.00 H new ATOM 0 HH11 ARG A 9 14.952 3.005 -4.046 1.00 0.00 H new ATOM 0 HH12 ARG A 9 15.114 4.563 -4.862 1.00 0.00 H new ATOM 0 HH21 ARG A 9 13.886 6.430 -2.121 1.00 0.00 H new ATOM 0 HH22 ARG A 9 14.510 6.498 -3.772 1.00 0.00 H new ATOM 141 N GLY A 10 11.247 -1.126 -3.158 1.00 0.00 N ATOM 142 CA GLY A 10 11.418 -2.562 -3.207 1.00 0.00 C ATOM 143 C GLY A 10 10.761 -3.270 -2.031 1.00 0.00 C ATOM 144 O GLY A 10 11.032 -4.443 -1.776 1.00 0.00 O ATOM 0 H GLY A 10 10.556 -0.758 -3.812 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.996 -2.943 -4.137 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.482 -2.797 -3.220 1.00 0.00 H new ATOM 148 N VAL A 11 9.945 -2.555 -1.295 1.00 0.00 N ATOM 149 CA VAL A 11 9.211 -3.110 -0.174 1.00 0.00 C ATOM 150 C VAL A 11 7.752 -3.168 -0.573 1.00 0.00 C ATOM 151 O VAL A 11 7.193 -2.155 -1.000 1.00 0.00 O ATOM 152 CB VAL A 11 9.347 -2.207 1.090 1.00 0.00 C ATOM 153 CG1 VAL A 11 8.639 -2.815 2.292 1.00 0.00 C ATOM 154 CG2 VAL A 11 10.812 -1.935 1.411 1.00 0.00 C ATOM 0 H VAL A 11 9.767 -1.563 -1.455 1.00 0.00 H new ATOM 0 HA VAL A 11 9.607 -4.096 0.067 1.00 0.00 H new ATOM 0 HB VAL A 11 8.862 -1.257 0.865 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.756 -2.158 3.154 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.579 -2.935 2.068 1.00 0.00 H new ATOM 0 HG13 VAL A 11 9.075 -3.789 2.517 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.879 -1.303 2.297 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.325 -2.878 1.599 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.281 -1.429 0.568 1.00 0.00 H new ATOM 164 N CYS A 12 7.140 -4.312 -0.477 1.00 0.00 N ATOM 165 CA CYS A 12 5.765 -4.431 -0.886 1.00 0.00 C ATOM 166 C CYS A 12 4.810 -4.422 0.282 1.00 0.00 C ATOM 167 O CYS A 12 4.974 -5.155 1.271 1.00 0.00 O ATOM 168 CB CYS A 12 5.553 -5.635 -1.776 1.00 0.00 C ATOM 169 SG CYS A 12 6.470 -5.542 -3.357 1.00 0.00 S ATOM 0 H CYS A 12 7.563 -5.170 -0.123 1.00 0.00 H new ATOM 0 HA CYS A 12 5.537 -3.543 -1.475 1.00 0.00 H new ATOM 0 HB2 CYS A 12 5.860 -6.533 -1.239 1.00 0.00 H new ATOM 0 HB3 CYS A 12 4.489 -5.738 -1.988 1.00 0.00 H new ATOM 174 N ARG A 13 3.828 -3.588 0.166 1.00 0.00 N ATOM 175 CA ARG A 13 2.813 -3.419 1.148 1.00 0.00 C ATOM 176 C ARG A 13 1.458 -3.712 0.530 1.00 0.00 C ATOM 177 O ARG A 13 1.048 -3.063 -0.441 1.00 0.00 O ATOM 178 CB ARG A 13 2.826 -1.978 1.693 1.00 0.00 C ATOM 179 CG ARG A 13 1.672 -1.682 2.642 1.00 0.00 C ATOM 180 CD ARG A 13 1.620 -0.222 3.071 1.00 0.00 C ATOM 181 NE ARG A 13 2.782 0.185 3.877 1.00 0.00 N ATOM 182 CZ ARG A 13 2.856 1.318 4.601 1.00 0.00 C ATOM 183 NH1 ARG A 13 1.837 2.185 4.608 1.00 0.00 N ATOM 184 NH2 ARG A 13 3.946 1.576 5.304 1.00 0.00 N ATOM 0 H ARG A 13 3.709 -2.984 -0.647 1.00 0.00 H new ATOM 0 HA ARG A 13 3.002 -4.109 1.971 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.768 -1.802 2.212 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.787 -1.280 0.856 1.00 0.00 H new ATOM 0 HG2 ARG A 13 0.732 -1.947 2.158 1.00 0.00 H new ATOM 0 HG3 ARG A 13 1.764 -2.313 3.526 1.00 0.00 H new ATOM 0 HD2 ARG A 13 1.562 0.409 2.184 1.00 0.00 H new ATOM 0 HD3 ARG A 13 0.709 -0.050 3.645 1.00 0.00 H new ATOM 0 HE ARG A 13 3.591 -0.437 3.888 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.997 1.990 4.063 1.00 0.00 H new ATOM 0 HH12 ARG A 13 1.900 3.041 5.159 1.00 0.00 H new ATOM 0 HH21 ARG A 13 4.726 0.918 5.296 1.00 0.00 H new ATOM 0 HH22 ARG A 13 4.007 2.433 5.854 1.00 0.00 H new ATOM 198 N CYS A 14 0.799 -4.696 1.029 1.00 0.00 N ATOM 199 CA CYS A 14 -0.548 -4.943 0.631 1.00 0.00 C ATOM 200 C CYS A 14 -1.464 -4.361 1.668 1.00 0.00 C ATOM 201 O CYS A 14 -1.558 -4.869 2.789 1.00 0.00 O ATOM 202 CB CYS A 14 -0.834 -6.422 0.403 1.00 0.00 C ATOM 203 SG CYS A 14 -0.029 -7.132 -1.069 1.00 0.00 S ATOM 0 H CYS A 14 1.170 -5.350 1.719 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.720 -4.462 -0.332 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.512 -6.981 1.282 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.911 -6.561 0.314 1.00 0.00 H new ATOM 208 N ILE A 15 -2.120 -3.305 1.319 1.00 0.00 N ATOM 209 CA ILE A 15 -2.941 -2.590 2.264 1.00 0.00 C ATOM 210 C ILE A 15 -4.369 -2.532 1.748 1.00 0.00 C ATOM 211 O ILE A 15 -4.611 -2.683 0.552 1.00 0.00 O ATOM 212 CB ILE A 15 -2.366 -1.142 2.515 1.00 0.00 C ATOM 213 CG1 ILE A 15 -3.134 -0.387 3.619 1.00 0.00 C ATOM 214 CG2 ILE A 15 -2.351 -0.318 1.231 1.00 0.00 C ATOM 215 CD1 ILE A 15 -3.088 -1.056 4.977 1.00 0.00 C ATOM 0 H ILE A 15 -2.109 -2.908 0.380 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.934 -3.115 3.219 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.340 -1.277 2.858 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.724 0.619 3.708 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.175 -0.281 3.314 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -1.949 0.674 1.440 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.726 -0.814 0.488 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.367 -0.224 0.847 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.652 -0.461 5.695 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.526 -2.052 4.907 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.053 -1.138 5.307 1.00 0.00 H new ATOM 227 N CYS A 16 -5.303 -2.378 2.623 1.00 0.00 N ATOM 228 CA CYS A 16 -6.659 -2.245 2.212 1.00 0.00 C ATOM 229 C CYS A 16 -7.187 -0.943 2.763 1.00 0.00 C ATOM 230 O CYS A 16 -6.833 -0.549 3.880 1.00 0.00 O ATOM 231 CB CYS A 16 -7.506 -3.432 2.684 1.00 0.00 C ATOM 232 SG CYS A 16 -6.843 -5.086 2.236 1.00 0.00 S ATOM 0 H CYS A 16 -5.152 -2.341 3.631 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.716 -2.239 1.124 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -7.607 -3.379 3.768 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.508 -3.333 2.266 1.00 0.00 H new ATOM 237 N THR A 17 -7.946 -0.231 1.980 1.00 0.00 N ATOM 238 CA THR A 17 -8.509 1.008 2.416 1.00 0.00 C ATOM 239 C THR A 17 -9.882 1.173 1.784 1.00 0.00 C ATOM 240 O THR A 17 -10.074 0.857 0.609 1.00 0.00 O ATOM 241 CB THR A 17 -7.608 2.198 2.046 1.00 0.00 C ATOM 242 OG1 THR A 17 -6.251 1.924 2.470 1.00 0.00 O ATOM 243 CG2 THR A 17 -8.080 3.471 2.742 1.00 0.00 C ATOM 0 H THR A 17 -8.189 -0.495 1.025 1.00 0.00 H new ATOM 0 HA THR A 17 -8.596 0.991 3.502 1.00 0.00 H new ATOM 0 HB THR A 17 -7.654 2.338 0.966 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.675 2.681 2.233 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.428 4.300 2.466 1.00 0.00 H new ATOM 0 HG22 THR A 17 -9.102 3.695 2.436 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.048 3.328 3.822 1.00 0.00 H new ATOM 251 N ARG A 18 -10.840 1.582 2.604 1.00 0.00 N ATOM 252 CA ARG A 18 -12.261 1.822 2.213 1.00 0.00 C ATOM 253 C ARG A 18 -12.969 0.502 1.851 1.00 0.00 C ATOM 254 O ARG A 18 -14.124 0.466 1.402 1.00 0.00 O ATOM 255 CB ARG A 18 -12.325 2.827 1.063 1.00 0.00 C ATOM 256 CG ARG A 18 -13.701 3.428 0.770 1.00 0.00 C ATOM 257 CD ARG A 18 -14.208 4.267 1.926 1.00 0.00 C ATOM 258 NE ARG A 18 -15.475 4.932 1.615 1.00 0.00 N ATOM 259 CZ ARG A 18 -15.882 6.096 2.144 1.00 0.00 C ATOM 260 NH1 ARG A 18 -15.186 6.675 3.118 1.00 0.00 N ATOM 261 NH2 ARG A 18 -17.003 6.657 1.720 1.00 0.00 N ATOM 0 H ARG A 18 -10.666 1.767 3.592 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.791 2.245 3.066 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.634 3.642 1.280 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -11.965 2.337 0.158 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -13.645 4.043 -0.128 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.411 2.627 0.564 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -14.339 3.633 2.803 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -13.460 5.017 2.184 1.00 0.00 H new ATOM 0 HE ARG A 18 -16.095 4.476 0.946 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -14.336 6.234 3.469 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -15.503 7.560 3.514 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -17.556 6.205 0.992 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -17.314 7.542 2.121 1.00 0.00 H new TER 275 ARG A 18