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= -0.292 (180deg=-0.292) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.342 -1.826 2.048 1.00 0.00 N ATOM 2 CA GLY A 1 -12.447 -3.215 1.689 1.00 0.00 C ATOM 3 C GLY A 1 -11.809 -3.511 0.353 1.00 0.00 C ATOM 4 O GLY A 1 -11.912 -4.616 -0.160 1.00 0.00 O ATOM 0 H2 GLY A 1 -12.794 -1.671 2.972 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.973 -3.824 2.459 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.498 -3.502 1.659 1.00 0.00 H new ATOM 8 N ASP A 2 -11.174 -2.517 -0.217 1.00 0.00 N ATOM 9 CA ASP A 2 -10.467 -2.668 -1.470 1.00 0.00 C ATOM 10 C ASP A 2 -8.994 -2.652 -1.182 1.00 0.00 C ATOM 11 O ASP A 2 -8.461 -1.651 -0.679 1.00 0.00 O ATOM 12 CB ASP A 2 -10.838 -1.541 -2.448 1.00 0.00 C ATOM 13 CG ASP A 2 -10.041 -1.584 -3.738 1.00 0.00 C ATOM 14 OD1 ASP A 2 -10.264 -2.496 -4.567 1.00 0.00 O ATOM 15 OD2 ASP A 2 -9.199 -0.670 -3.965 1.00 0.00 O ATOM 0 H ASP A 2 -11.131 -1.576 0.174 1.00 0.00 H new ATOM 0 HA ASP A 2 -10.747 -3.611 -1.939 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -11.900 -1.607 -2.682 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -10.678 -0.579 -1.961 1.00 0.00 H new ATOM 20 N CYS A 3 -8.342 -3.750 -1.426 1.00 0.00 N ATOM 21 CA CYS A 3 -6.948 -3.842 -1.140 1.00 0.00 C ATOM 22 C CYS A 3 -6.110 -3.431 -2.292 1.00 0.00 C ATOM 23 O CYS A 3 -6.397 -3.738 -3.460 1.00 0.00 O ATOM 24 CB CYS A 3 -6.547 -5.192 -0.620 1.00 0.00 C ATOM 25 SG CYS A 3 -7.439 -5.688 0.897 1.00 0.00 S ATOM 0 H CYS A 3 -8.757 -4.593 -1.823 1.00 0.00 H new ATOM 0 HA CYS A 3 -6.763 -3.131 -0.335 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.724 -5.938 -1.395 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.476 -5.190 -0.417 1.00 0.00 H new ATOM 30 N ARG A 4 -5.109 -2.710 -1.967 1.00 0.00 N ATOM 31 CA ARG A 4 -4.188 -2.168 -2.932 1.00 0.00 C ATOM 32 C ARG A 4 -2.763 -2.261 -2.412 1.00 0.00 C ATOM 33 O ARG A 4 -2.481 -1.910 -1.260 1.00 0.00 O ATOM 34 CB ARG A 4 -4.575 -0.716 -3.249 1.00 0.00 C ATOM 35 CG ARG A 4 -4.593 0.204 -2.039 1.00 0.00 C ATOM 36 CD ARG A 4 -5.307 1.497 -2.344 1.00 0.00 C ATOM 37 NE ARG A 4 -6.722 1.256 -2.669 1.00 0.00 N ATOM 38 CZ ARG A 4 -7.738 2.046 -2.319 1.00 0.00 C ATOM 39 NH1 ARG A 4 -7.518 3.153 -1.614 1.00 0.00 N ATOM 40 NH2 ARG A 4 -8.976 1.708 -2.658 1.00 0.00 N ATOM 0 H ARG A 4 -4.886 -2.464 -1.003 1.00 0.00 H new ATOM 0 HA ARG A 4 -4.241 -2.748 -3.853 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -3.875 -0.318 -3.984 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -5.562 -0.708 -3.712 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -5.085 -0.298 -1.205 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -3.571 0.416 -1.725 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -5.236 2.166 -1.487 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -4.819 1.997 -3.180 1.00 0.00 H new ATOM 0 HE ARG A 4 -6.944 0.417 -3.205 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -6.568 3.402 -1.338 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -8.299 3.753 -1.350 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -9.145 0.850 -3.182 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -9.759 2.307 -2.394 1.00 0.00 H new ATOM 54 N CYS A 5 -1.882 -2.758 -3.212 1.00 0.00 N ATOM 55 CA CYS A 5 -0.523 -2.851 -2.794 1.00 0.00 C ATOM 56 C CYS A 5 0.306 -1.802 -3.435 1.00 0.00 C ATOM 57 O CYS A 5 0.285 -1.605 -4.651 1.00 0.00 O ATOM 58 CB CYS A 5 0.085 -4.216 -3.030 1.00 0.00 C ATOM 59 SG CYS A 5 -0.830 -5.615 -2.286 1.00 0.00 S ATOM 0 H CYS A 5 -2.075 -3.104 -4.152 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.532 -2.693 -1.716 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.160 -4.382 -4.105 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.101 -4.217 -2.636 1.00 0.00 H new ATOM 64 N LEU A 6 1.010 -1.128 -2.615 1.00 0.00 N ATOM 65 CA LEU A 6 1.906 -0.084 -3.038 1.00 0.00 C ATOM 66 C LEU A 6 3.301 -0.551 -2.766 1.00 0.00 C ATOM 67 O LEU A 6 3.653 -0.829 -1.622 1.00 0.00 O ATOM 68 CB LEU A 6 1.637 1.266 -2.318 1.00 0.00 C ATOM 69 CG LEU A 6 0.299 1.992 -2.614 1.00 0.00 C ATOM 70 CD1 LEU A 6 0.071 2.161 -4.110 1.00 0.00 C ATOM 71 CD2 LEU A 6 -0.891 1.318 -1.939 1.00 0.00 C ATOM 0 H LEU A 6 0.993 -1.275 -1.606 1.00 0.00 H new ATOM 0 HA LEU A 6 1.751 0.107 -4.100 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.691 1.089 -1.244 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.450 1.947 -2.570 1.00 0.00 H new ATOM 0 HG LEU A 6 0.383 2.988 -2.179 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -0.876 2.674 -4.278 1.00 0.00 H new ATOM 0 HD12 LEU A 6 0.883 2.749 -4.538 1.00 0.00 H new ATOM 0 HD13 LEU A 6 0.043 1.181 -4.587 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.803 1.865 -2.178 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -0.979 0.292 -2.297 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -0.743 1.314 -0.859 1.00 0.00 H new ATOM 83 N CYS A 7 4.078 -0.702 -3.788 1.00 0.00 N ATOM 84 CA CYS A 7 5.406 -1.210 -3.608 1.00 0.00 C ATOM 85 C CYS A 7 6.407 -0.122 -3.833 1.00 0.00 C ATOM 86 O CYS A 7 6.227 0.754 -4.703 1.00 0.00 O ATOM 87 CB CYS A 7 5.685 -2.377 -4.534 1.00 0.00 C ATOM 88 SG CYS A 7 4.332 -3.614 -4.623 1.00 0.00 S ATOM 0 H CYS A 7 3.823 -0.484 -4.751 1.00 0.00 H new ATOM 0 HA CYS A 7 5.491 -1.571 -2.583 1.00 0.00 H new ATOM 0 HB2 CYS A 7 5.876 -1.993 -5.536 1.00 0.00 H new ATOM 0 HB3 CYS A 7 6.596 -2.876 -4.205 1.00 0.00 H new ATOM 93 N ARG A 8 7.433 -0.165 -3.062 1.00 0.00 N ATOM 94 CA ARG A 8 8.486 0.790 -3.110 1.00 0.00 C ATOM 95 C ARG A 8 9.674 0.172 -2.439 1.00 0.00 C ATOM 96 O ARG A 8 9.506 -0.613 -1.506 1.00 0.00 O ATOM 97 CB ARG A 8 8.067 2.085 -2.401 1.00 0.00 C ATOM 98 CG ARG A 8 9.117 3.180 -2.443 1.00 0.00 C ATOM 99 CD ARG A 8 8.631 4.457 -1.789 1.00 0.00 C ATOM 100 NE ARG A 8 7.463 5.028 -2.472 1.00 0.00 N ATOM 101 CZ ARG A 8 7.249 6.333 -2.665 1.00 0.00 C ATOM 102 NH1 ARG A 8 8.095 7.235 -2.180 1.00 0.00 N ATOM 103 NH2 ARG A 8 6.177 6.728 -3.318 1.00 0.00 N ATOM 0 H ARG A 8 7.569 -0.889 -2.356 1.00 0.00 H new ATOM 0 HA ARG A 8 8.726 1.052 -4.140 1.00 0.00 H new ATOM 0 HB2 ARG A 8 7.150 2.457 -2.859 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.835 1.858 -1.360 1.00 0.00 H new ATOM 0 HG2 ARG A 8 10.020 2.836 -1.939 1.00 0.00 H new ATOM 0 HG3 ARG A 8 9.388 3.383 -3.479 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.377 4.255 -0.749 1.00 0.00 H new ATOM 0 HD3 ARG A 8 9.439 5.189 -1.783 1.00 0.00 H new ATOM 0 HE ARG A 8 6.761 4.378 -2.826 1.00 0.00 H new ATOM 0 HH11 ARG A 8 8.916 6.934 -1.655 1.00 0.00 H new ATOM 0 HH12 ARG A 8 7.923 8.229 -2.332 1.00 0.00 H new ATOM 0 HH21 ARG A 8 5.514 6.039 -3.674 1.00 0.00 H new ATOM 0 HH22 ARG A 8 6.009 7.723 -3.468 1.00 0.00 H new ATOM 117 N ARG A 9 10.860 0.435 -2.972 1.00 0.00 N ATOM 118 CA ARG A 9 12.132 -0.016 -2.391 1.00 0.00 C ATOM 119 C ARG A 9 12.267 -1.564 -2.451 1.00 0.00 C ATOM 120 O ARG A 9 13.190 -2.155 -1.868 1.00 0.00 O ATOM 121 CB ARG A 9 12.272 0.536 -0.938 1.00 0.00 C ATOM 122 CG ARG A 9 13.625 0.334 -0.277 1.00 0.00 C ATOM 123 CD ARG A 9 14.730 1.023 -1.054 1.00 0.00 C ATOM 124 NE ARG A 9 16.035 0.878 -0.405 1.00 0.00 N ATOM 125 CZ ARG A 9 17.215 0.945 -1.039 1.00 0.00 C ATOM 126 NH1 ARG A 9 17.257 1.150 -2.355 1.00 0.00 N ATOM 127 NH2 ARG A 9 18.345 0.803 -0.355 1.00 0.00 N ATOM 0 H ARG A 9 10.974 0.974 -3.831 1.00 0.00 H new ATOM 0 HA ARG A 9 12.955 0.384 -2.984 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.053 1.604 -0.953 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.512 0.064 -0.316 1.00 0.00 H new ATOM 0 HG2 ARG A 9 13.596 0.724 0.740 1.00 0.00 H new ATOM 0 HG3 ARG A 9 13.840 -0.732 -0.204 1.00 0.00 H new ATOM 0 HD2 ARG A 9 14.778 0.607 -2.060 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.493 2.082 -1.158 1.00 0.00 H new ATOM 0 HE ARG A 9 16.047 0.714 0.602 1.00 0.00 H new ATOM 0 HH11 ARG A 9 16.390 1.256 -2.882 1.00 0.00 H new ATOM 0 HH12 ARG A 9 18.156 1.201 -2.835 1.00 0.00 H new ATOM 0 HH21 ARG A 9 18.315 0.643 0.652 1.00 0.00 H new ATOM 0 HH22 ARG A 9 19.243 0.854 -0.837 1.00 0.00 H new ATOM 141 N GLY A 10 11.368 -2.196 -3.176 1.00 0.00 N ATOM 142 CA GLY A 10 11.393 -3.622 -3.311 1.00 0.00 C ATOM 143 C GLY A 10 10.379 -4.325 -2.422 1.00 0.00 C ATOM 144 O GLY A 10 10.198 -5.544 -2.526 1.00 0.00 O ATOM 0 H GLY A 10 10.611 -1.735 -3.680 1.00 0.00 H new ATOM 0 HA2 GLY A 10 11.200 -3.886 -4.351 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.392 -3.986 -3.070 1.00 0.00 H new ATOM 148 N VAL A 11 9.680 -3.583 -1.589 1.00 0.00 N ATOM 149 CA VAL A 11 8.747 -4.195 -0.664 1.00 0.00 C ATOM 150 C VAL A 11 7.337 -3.681 -0.937 1.00 0.00 C ATOM 151 O VAL A 11 7.150 -2.507 -1.298 1.00 0.00 O ATOM 152 CB VAL A 11 9.175 -3.968 0.831 1.00 0.00 C ATOM 153 CG1 VAL A 11 9.202 -2.488 1.210 1.00 0.00 C ATOM 154 CG2 VAL A 11 8.299 -4.765 1.797 1.00 0.00 C ATOM 0 H VAL A 11 9.738 -2.566 -1.532 1.00 0.00 H new ATOM 0 HA VAL A 11 8.757 -5.273 -0.824 1.00 0.00 H new ATOM 0 HB VAL A 11 10.195 -4.341 0.919 1.00 0.00 H new ATOM 0 HG11 VAL A 11 9.504 -2.385 2.252 1.00 0.00 H new ATOM 0 HG12 VAL A 11 9.913 -1.962 0.573 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.209 -2.060 1.076 1.00 0.00 H new ATOM 0 HG21 VAL A 11 8.626 -4.582 2.820 1.00 0.00 H new ATOM 0 HG22 VAL A 11 7.260 -4.454 1.687 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.385 -5.828 1.573 1.00 0.00 H new ATOM 164 N CYS A 12 6.367 -4.548 -0.840 1.00 0.00 N ATOM 165 CA CYS A 12 5.013 -4.163 -1.080 1.00 0.00 C ATOM 166 C CYS A 12 4.243 -3.971 0.194 1.00 0.00 C ATOM 167 O CYS A 12 4.173 -4.857 1.057 1.00 0.00 O ATOM 168 CB CYS A 12 4.310 -5.137 -1.995 1.00 0.00 C ATOM 169 SG CYS A 12 5.056 -5.248 -3.658 1.00 0.00 S ATOM 0 H CYS A 12 6.495 -5.530 -0.595 1.00 0.00 H new ATOM 0 HA CYS A 12 5.050 -3.197 -1.584 1.00 0.00 H new ATOM 0 HB2 CYS A 12 4.319 -6.125 -1.535 1.00 0.00 H new ATOM 0 HB3 CYS A 12 3.266 -4.841 -2.094 1.00 0.00 H new ATOM 174 N ARG A 13 3.686 -2.811 0.306 1.00 0.00 N ATOM 175 CA ARG A 13 2.859 -2.442 1.416 1.00 0.00 C ATOM 176 C ARG A 13 1.442 -2.615 0.956 1.00 0.00 C ATOM 177 O ARG A 13 0.956 -1.840 0.117 1.00 0.00 O ATOM 178 CB ARG A 13 3.079 -0.972 1.778 1.00 0.00 C ATOM 179 CG ARG A 13 4.528 -0.577 1.961 1.00 0.00 C ATOM 180 CD ARG A 13 4.661 0.904 2.300 1.00 0.00 C ATOM 181 NE ARG A 13 3.897 1.757 1.365 1.00 0.00 N ATOM 182 CZ ARG A 13 4.386 2.791 0.657 1.00 0.00 C ATOM 183 NH1 ARG A 13 5.701 3.051 0.637 1.00 0.00 N ATOM 184 NH2 ARG A 13 3.557 3.555 -0.056 1.00 0.00 N ATOM 0 H ARG A 13 3.794 -2.071 -0.388 1.00 0.00 H new ATOM 0 HA ARG A 13 3.090 -3.050 2.290 1.00 0.00 H new ATOM 0 HB2 ARG A 13 2.643 -0.350 0.996 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.538 -0.753 2.699 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.972 -1.175 2.756 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.084 -0.795 1.049 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.309 1.076 3.317 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.713 1.189 2.274 1.00 0.00 H new ATOM 0 HE ARG A 13 2.907 1.541 1.246 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.346 2.461 1.163 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.057 3.839 0.095 1.00 0.00 H new ATOM 0 HH21 ARG A 13 2.557 3.354 -0.063 1.00 0.00 H new ATOM 0 HH22 ARG A 13 3.923 4.340 -0.594 1.00 0.00 H new ATOM 198 N CYS A 14 0.804 -3.628 1.410 1.00 0.00 N ATOM 199 CA CYS A 14 -0.542 -3.871 0.995 1.00 0.00 C ATOM 200 C CYS A 14 -1.510 -3.251 1.961 1.00 0.00 C ATOM 201 O CYS A 14 -1.628 -3.672 3.114 1.00 0.00 O ATOM 202 CB CYS A 14 -0.810 -5.354 0.749 1.00 0.00 C ATOM 203 SG CYS A 14 0.209 -6.068 -0.594 1.00 0.00 S ATOM 0 H CYS A 14 1.184 -4.307 2.069 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.694 -3.386 0.031 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.622 -5.907 1.670 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.864 -5.489 0.506 1.00 0.00 H new ATOM 208 N ILE A 15 -2.167 -2.233 1.499 1.00 0.00 N ATOM 209 CA ILE A 15 -3.064 -1.461 2.306 1.00 0.00 C ATOM 210 C ILE A 15 -4.472 -1.714 1.823 1.00 0.00 C ATOM 211 O ILE A 15 -4.709 -1.835 0.621 1.00 0.00 O ATOM 212 CB ILE A 15 -2.745 0.052 2.162 1.00 0.00 C ATOM 213 CG1 ILE A 15 -1.249 0.306 2.407 1.00 0.00 C ATOM 214 CG2 ILE A 15 -3.587 0.872 3.135 1.00 0.00 C ATOM 215 CD1 ILE A 15 -0.831 1.743 2.200 1.00 0.00 C ATOM 0 H ILE A 15 -2.095 -1.909 0.535 1.00 0.00 H new ATOM 0 HA ILE A 15 -2.956 -1.748 3.352 1.00 0.00 H new ATOM 0 HB ILE A 15 -2.992 0.362 1.147 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -1.002 0.009 3.426 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -0.668 -0.331 1.740 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -3.350 1.930 3.020 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -4.645 0.712 2.925 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.369 0.561 4.157 1.00 0.00 H new ATOM 0 HD11 ILE A 15 0.237 1.842 2.392 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -1.045 2.040 1.173 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -1.384 2.385 2.886 1.00 0.00 H new ATOM 227 N CYS A 16 -5.393 -1.827 2.714 1.00 0.00 N ATOM 228 CA CYS A 16 -6.749 -2.024 2.322 1.00 0.00 C ATOM 229 C CYS A 16 -7.575 -0.836 2.762 1.00 0.00 C ATOM 230 O CYS A 16 -7.505 -0.410 3.924 1.00 0.00 O ATOM 231 CB CYS A 16 -7.311 -3.340 2.877 1.00 0.00 C ATOM 232 SG CYS A 16 -6.362 -4.844 2.407 1.00 0.00 S ATOM 0 H CYS A 16 -5.235 -1.787 3.721 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.795 -2.102 1.236 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -7.345 -3.274 3.964 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.339 -3.454 2.532 1.00 0.00 H new ATOM 237 N THR A 17 -8.296 -0.263 1.842 1.00 0.00 N ATOM 238 CA THR A 17 -9.117 0.863 2.129 1.00 0.00 C ATOM 239 C THR A 17 -10.510 0.575 1.602 1.00 0.00 C ATOM 240 O THR A 17 -10.675 0.229 0.434 1.00 0.00 O ATOM 241 CB THR A 17 -8.587 2.108 1.422 1.00 0.00 C ATOM 242 OG1 THR A 17 -7.147 2.158 1.526 1.00 0.00 O ATOM 243 CG2 THR A 17 -9.161 3.375 2.042 1.00 0.00 C ATOM 0 H THR A 17 -8.327 -0.570 0.870 1.00 0.00 H new ATOM 0 HA THR A 17 -9.123 1.039 3.205 1.00 0.00 H new ATOM 0 HB THR A 17 -8.890 2.051 0.376 1.00 0.00 H new ATOM 0 HG1 THR A 17 -6.814 2.958 1.069 1.00 0.00 H new ATOM 0 HG21 THR A 17 -8.767 4.247 1.519 1.00 0.00 H new ATOM 0 HG22 THR A 17 -10.248 3.362 1.957 1.00 0.00 H new ATOM 0 HG23 THR A 17 -8.880 3.425 3.094 1.00 0.00 H new ATOM 251 N ARG A 18 -11.474 0.663 2.479 1.00 0.00 N ATOM 252 CA ARG A 18 -12.914 0.457 2.189 1.00 0.00 C ATOM 253 C ARG A 18 -13.193 -0.954 1.662 1.00 0.00 C ATOM 254 O ARG A 18 -14.156 -1.222 0.916 1.00 0.00 O ATOM 255 CB ARG A 18 -13.404 1.525 1.234 1.00 0.00 C ATOM 256 CG ARG A 18 -14.924 1.665 1.144 1.00 0.00 C ATOM 257 CD ARG A 18 -15.549 2.066 2.474 1.00 0.00 C ATOM 258 NE ARG A 18 -17.013 2.003 2.420 1.00 0.00 N ATOM 259 CZ ARG A 18 -17.849 2.512 3.334 1.00 0.00 C ATOM 260 NH1 ARG A 18 -17.383 3.177 4.379 1.00 0.00 N ATOM 261 NH2 ARG A 18 -19.152 2.328 3.196 1.00 0.00 N ATOM 0 H ARG A 18 -11.297 0.887 3.458 1.00 0.00 H new ATOM 0 HA ARG A 18 -13.471 0.549 3.122 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.984 2.484 1.538 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -13.015 1.308 0.239 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -15.174 2.410 0.389 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -15.354 0.720 0.813 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.184 1.407 3.262 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -15.237 3.077 2.734 1.00 0.00 H new ATOM 0 HE ARG A 18 -17.430 1.531 1.618 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -16.378 3.306 4.494 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -18.029 3.560 5.069 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -19.511 1.803 2.399 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -19.797 2.712 3.887 1.00 0.00 H new TER 275 ARG A 18