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= -0.516 (180deg=-0.516) USER MOD Single : A 17 THR OG1 : rot 180:sc=-0.00503 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -12.152 -0.384 1.717 1.00 0.00 N ATOM 2 CA GLY A 1 -12.646 -1.716 1.588 1.00 0.00 C ATOM 3 C GLY A 1 -11.967 -2.467 0.464 1.00 0.00 C ATOM 4 O GLY A 1 -12.169 -3.681 0.296 1.00 0.00 O ATOM 0 H2 GLY A 1 -12.644 0.095 2.498 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -12.494 -2.251 2.525 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -13.721 -1.688 1.408 1.00 0.00 H new ATOM 8 N ASP A 2 -11.152 -1.774 -0.298 1.00 0.00 N ATOM 9 CA ASP A 2 -10.468 -2.390 -1.417 1.00 0.00 C ATOM 10 C ASP A 2 -9.050 -2.671 -1.036 1.00 0.00 C ATOM 11 O ASP A 2 -8.358 -1.797 -0.499 1.00 0.00 O ATOM 12 CB ASP A 2 -10.504 -1.500 -2.660 1.00 0.00 C ATOM 13 CG ASP A 2 -9.861 -2.167 -3.864 1.00 0.00 C ATOM 14 OD1 ASP A 2 -10.478 -3.098 -4.441 1.00 0.00 O ATOM 15 OD2 ASP A 2 -8.752 -1.787 -4.266 1.00 0.00 O ATOM 0 H ASP A 2 -10.945 -0.784 -0.165 1.00 0.00 H new ATOM 0 HA ASP A 2 -10.982 -3.320 -1.660 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -11.538 -1.250 -2.895 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -9.989 -0.563 -2.448 1.00 0.00 H new ATOM 20 N CYS A 3 -8.619 -3.876 -1.247 1.00 0.00 N ATOM 21 CA CYS A 3 -7.273 -4.211 -0.938 1.00 0.00 C ATOM 22 C CYS A 3 -6.392 -3.984 -2.111 1.00 0.00 C ATOM 23 O CYS A 3 -6.706 -4.363 -3.238 1.00 0.00 O ATOM 24 CB CYS A 3 -7.142 -5.594 -0.380 1.00 0.00 C ATOM 25 SG CYS A 3 -8.192 -5.875 1.104 1.00 0.00 S ATOM 0 H CYS A 3 -9.180 -4.637 -1.630 1.00 0.00 H new ATOM 0 HA CYS A 3 -6.940 -3.542 -0.144 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -7.411 -6.317 -1.150 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -6.099 -5.777 -0.120 1.00 0.00 H new ATOM 30 N ARG A 4 -5.332 -3.349 -1.847 1.00 0.00 N ATOM 31 CA ARG A 4 -4.398 -2.941 -2.854 1.00 0.00 C ATOM 32 C ARG A 4 -2.989 -3.104 -2.338 1.00 0.00 C ATOM 33 O ARG A 4 -2.689 -2.764 -1.192 1.00 0.00 O ATOM 34 CB ARG A 4 -4.693 -1.474 -3.254 1.00 0.00 C ATOM 35 CG ARG A 4 -3.653 -0.794 -4.145 1.00 0.00 C ATOM 36 CD ARG A 4 -3.445 -1.492 -5.482 1.00 0.00 C ATOM 37 NE ARG A 4 -2.382 -0.825 -6.240 1.00 0.00 N ATOM 38 CZ ARG A 4 -1.732 -1.322 -7.301 1.00 0.00 C ATOM 39 NH1 ARG A 4 -2.089 -2.489 -7.833 1.00 0.00 N ATOM 40 NH2 ARG A 4 -0.734 -0.622 -7.844 1.00 0.00 N ATOM 0 H ARG A 4 -5.062 -3.080 -0.901 1.00 0.00 H new ATOM 0 HA ARG A 4 -4.501 -3.566 -3.741 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -5.654 -1.446 -3.767 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -4.800 -0.886 -2.343 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -3.960 0.236 -4.326 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -2.702 -0.754 -3.614 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -3.184 -2.538 -5.318 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -4.372 -1.481 -6.055 1.00 0.00 H new ATOM 0 HE ARG A 4 -2.111 0.108 -5.929 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -2.865 -3.016 -7.433 1.00 0.00 H new ATOM 0 HH12 ARG A 4 -1.586 -2.856 -8.641 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -0.473 0.282 -7.451 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -0.233 -0.991 -8.652 1.00 0.00 H new ATOM 54 N CYS A 5 -2.146 -3.669 -3.136 1.00 0.00 N ATOM 55 CA CYS A 5 -0.780 -3.773 -2.756 1.00 0.00 C ATOM 56 C CYS A 5 0.000 -2.696 -3.438 1.00 0.00 C ATOM 57 O CYS A 5 -0.183 -2.436 -4.622 1.00 0.00 O ATOM 58 CB CYS A 5 -0.186 -5.137 -3.059 1.00 0.00 C ATOM 59 SG CYS A 5 -1.113 -6.551 -2.354 1.00 0.00 S ATOM 0 H CYS A 5 -2.377 -4.063 -4.048 1.00 0.00 H new ATOM 0 HA CYS A 5 -0.724 -3.650 -1.674 1.00 0.00 H new ATOM 0 HB2 CYS A 5 -0.129 -5.261 -4.140 1.00 0.00 H new ATOM 0 HB3 CYS A 5 0.836 -5.165 -2.680 1.00 0.00 H new ATOM 64 N LEU A 6 0.821 -2.063 -2.694 1.00 0.00 N ATOM 65 CA LEU A 6 1.655 -0.992 -3.217 1.00 0.00 C ATOM 66 C LEU A 6 3.083 -1.275 -2.864 1.00 0.00 C ATOM 67 O LEU A 6 3.357 -1.903 -1.836 1.00 0.00 O ATOM 68 CB LEU A 6 1.272 0.411 -2.680 1.00 0.00 C ATOM 69 CG LEU A 6 -0.160 0.919 -2.923 1.00 0.00 C ATOM 70 CD1 LEU A 6 -1.134 0.362 -1.899 1.00 0.00 C ATOM 71 CD2 LEU A 6 -0.192 2.436 -2.940 1.00 0.00 C ATOM 0 H LEU A 6 0.953 -2.253 -1.701 1.00 0.00 H new ATOM 0 HA LEU A 6 1.503 -0.969 -4.296 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.448 0.415 -1.604 1.00 0.00 H new ATOM 0 HB3 LEU A 6 1.960 1.134 -3.118 1.00 0.00 H new ATOM 0 HG LEU A 6 -0.480 0.558 -3.901 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -2.134 0.743 -2.103 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -1.141 -0.726 -1.958 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.826 0.669 -0.899 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -1.213 2.776 -3.113 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.160 2.818 -1.982 1.00 0.00 H new ATOM 0 HD23 LEU A 6 0.453 2.805 -3.737 1.00 0.00 H new ATOM 83 N CYS A 7 3.991 -0.853 -3.682 1.00 0.00 N ATOM 84 CA CYS A 7 5.365 -1.099 -3.392 1.00 0.00 C ATOM 85 C CYS A 7 6.102 0.203 -3.256 1.00 0.00 C ATOM 86 O CYS A 7 5.735 1.208 -3.873 1.00 0.00 O ATOM 87 CB CYS A 7 6.013 -1.983 -4.449 1.00 0.00 C ATOM 88 SG CYS A 7 5.056 -3.498 -4.869 1.00 0.00 S ATOM 0 H CYS A 7 3.810 -0.342 -4.546 1.00 0.00 H new ATOM 0 HA CYS A 7 5.421 -1.637 -2.446 1.00 0.00 H new ATOM 0 HB2 CYS A 7 6.157 -1.396 -5.356 1.00 0.00 H new ATOM 0 HB3 CYS A 7 7.002 -2.279 -4.100 1.00 0.00 H new ATOM 93 N ARG A 8 7.104 0.188 -2.431 1.00 0.00 N ATOM 94 CA ARG A 8 7.920 1.343 -2.155 1.00 0.00 C ATOM 95 C ARG A 8 9.321 0.881 -1.830 1.00 0.00 C ATOM 96 O ARG A 8 9.503 0.002 -0.979 1.00 0.00 O ATOM 97 CB ARG A 8 7.320 2.198 -1.017 1.00 0.00 C ATOM 98 CG ARG A 8 7.045 1.445 0.280 1.00 0.00 C ATOM 99 CD ARG A 8 6.522 2.373 1.360 1.00 0.00 C ATOM 100 NE ARG A 8 7.493 3.425 1.686 1.00 0.00 N ATOM 101 CZ ARG A 8 7.418 4.258 2.723 1.00 0.00 C ATOM 102 NH1 ARG A 8 6.429 4.152 3.609 1.00 0.00 N ATOM 103 NH2 ARG A 8 8.345 5.185 2.877 1.00 0.00 N ATOM 0 H ARG A 8 7.388 -0.645 -1.916 1.00 0.00 H new ATOM 0 HA ARG A 8 7.952 1.985 -3.036 1.00 0.00 H new ATOM 0 HB2 ARG A 8 8.002 3.021 -0.804 1.00 0.00 H new ATOM 0 HB3 ARG A 8 6.387 2.639 -1.368 1.00 0.00 H new ATOM 0 HG2 ARG A 8 6.319 0.653 0.096 1.00 0.00 H new ATOM 0 HG3 ARG A 8 7.961 0.964 0.624 1.00 0.00 H new ATOM 0 HD2 ARG A 8 5.589 2.829 1.028 1.00 0.00 H new ATOM 0 HD3 ARG A 8 6.294 1.797 2.257 1.00 0.00 H new ATOM 0 HE ARG A 8 8.295 3.527 1.064 1.00 0.00 H new ATOM 0 HH11 ARG A 8 5.720 3.428 3.497 1.00 0.00 H new ATOM 0 HH12 ARG A 8 6.381 4.795 4.399 1.00 0.00 H new ATOM 0 HH21 ARG A 8 9.109 5.258 2.206 1.00 0.00 H new ATOM 0 HH22 ARG A 8 8.297 5.828 3.667 1.00 0.00 H new ATOM 117 N ARG A 9 10.291 1.400 -2.573 1.00 0.00 N ATOM 118 CA ARG A 9 11.712 1.039 -2.447 1.00 0.00 C ATOM 119 C ARG A 9 11.889 -0.495 -2.644 1.00 0.00 C ATOM 120 O ARG A 9 12.771 -1.137 -2.052 1.00 0.00 O ATOM 121 CB ARG A 9 12.290 1.537 -1.090 1.00 0.00 C ATOM 122 CG ARG A 9 13.811 1.429 -0.939 1.00 0.00 C ATOM 123 CD ARG A 9 14.543 2.259 -1.981 1.00 0.00 C ATOM 124 NE ARG A 9 14.274 3.691 -1.839 1.00 0.00 N ATOM 125 CZ ARG A 9 14.045 4.538 -2.853 1.00 0.00 C ATOM 126 NH1 ARG A 9 13.971 4.089 -4.105 1.00 0.00 N ATOM 127 NH2 ARG A 9 13.890 5.837 -2.615 1.00 0.00 N ATOM 0 H ARG A 9 10.116 2.098 -3.296 1.00 0.00 H new ATOM 0 HA ARG A 9 12.283 1.538 -3.230 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.002 2.580 -0.954 1.00 0.00 H new ATOM 0 HB3 ARG A 9 11.822 0.969 -0.286 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.101 1.760 0.058 1.00 0.00 H new ATOM 0 HG3 ARG A 9 14.112 0.385 -1.029 1.00 0.00 H new ATOM 0 HD2 ARG A 9 15.615 2.083 -1.895 1.00 0.00 H new ATOM 0 HD3 ARG A 9 14.245 1.933 -2.977 1.00 0.00 H new ATOM 0 HE ARG A 9 14.260 4.075 -0.894 1.00 0.00 H new ATOM 0 HH11 ARG A 9 14.089 3.094 -4.298 1.00 0.00 H new ATOM 0 HH12 ARG A 9 13.796 4.740 -4.871 1.00 0.00 H new ATOM 0 HH21 ARG A 9 13.945 6.191 -1.660 1.00 0.00 H new ATOM 0 HH22 ARG A 9 13.716 6.480 -3.388 1.00 0.00 H new ATOM 141 N GLY A 10 11.033 -1.066 -3.469 1.00 0.00 N ATOM 142 CA GLY A 10 11.080 -2.490 -3.740 1.00 0.00 C ATOM 143 C GLY A 10 10.301 -3.327 -2.724 1.00 0.00 C ATOM 144 O GLY A 10 10.112 -4.533 -2.923 1.00 0.00 O ATOM 0 H GLY A 10 10.295 -0.565 -3.964 1.00 0.00 H new ATOM 0 HA2 GLY A 10 10.680 -2.676 -4.737 1.00 0.00 H new ATOM 0 HA3 GLY A 10 12.120 -2.817 -3.748 1.00 0.00 H new ATOM 148 N VAL A 11 9.837 -2.712 -1.659 1.00 0.00 N ATOM 149 CA VAL A 11 9.098 -3.421 -0.621 1.00 0.00 C ATOM 150 C VAL A 11 7.626 -3.325 -0.923 1.00 0.00 C ATOM 151 O VAL A 11 7.089 -2.224 -1.036 1.00 0.00 O ATOM 152 CB VAL A 11 9.365 -2.821 0.788 1.00 0.00 C ATOM 153 CG1 VAL A 11 8.599 -3.575 1.866 1.00 0.00 C ATOM 154 CG2 VAL A 11 10.849 -2.826 1.103 1.00 0.00 C ATOM 0 H VAL A 11 9.956 -1.715 -1.482 1.00 0.00 H new ATOM 0 HA VAL A 11 9.430 -4.459 -0.614 1.00 0.00 H new ATOM 0 HB VAL A 11 9.012 -1.790 0.777 1.00 0.00 H new ATOM 0 HG11 VAL A 11 8.808 -3.130 2.839 1.00 0.00 H new ATOM 0 HG12 VAL A 11 7.530 -3.516 1.662 1.00 0.00 H new ATOM 0 HG13 VAL A 11 8.910 -4.620 1.870 1.00 0.00 H new ATOM 0 HG21 VAL A 11 11.012 -2.402 2.094 1.00 0.00 H new ATOM 0 HG22 VAL A 11 11.222 -3.850 1.081 1.00 0.00 H new ATOM 0 HG23 VAL A 11 11.380 -2.230 0.361 1.00 0.00 H new ATOM 164 N CYS A 12 6.982 -4.439 -1.082 1.00 0.00 N ATOM 165 CA CYS A 12 5.584 -4.432 -1.381 1.00 0.00 C ATOM 166 C CYS A 12 4.762 -4.691 -0.159 1.00 0.00 C ATOM 167 O CYS A 12 4.965 -5.671 0.562 1.00 0.00 O ATOM 168 CB CYS A 12 5.250 -5.393 -2.495 1.00 0.00 C ATOM 169 SG CYS A 12 6.124 -5.030 -4.064 1.00 0.00 S ATOM 0 H CYS A 12 7.402 -5.366 -1.010 1.00 0.00 H new ATOM 0 HA CYS A 12 5.330 -3.432 -1.734 1.00 0.00 H new ATOM 0 HB2 CYS A 12 5.498 -6.406 -2.177 1.00 0.00 H new ATOM 0 HB3 CYS A 12 4.175 -5.369 -2.674 1.00 0.00 H new ATOM 174 N ARG A 13 3.880 -3.787 0.094 1.00 0.00 N ATOM 175 CA ARG A 13 2.987 -3.858 1.213 1.00 0.00 C ATOM 176 C ARG A 13 1.574 -3.948 0.727 1.00 0.00 C ATOM 177 O ARG A 13 1.198 -3.292 -0.241 1.00 0.00 O ATOM 178 CB ARG A 13 3.134 -2.637 2.116 1.00 0.00 C ATOM 179 CG ARG A 13 4.455 -2.547 2.848 1.00 0.00 C ATOM 180 CD ARG A 13 4.660 -3.740 3.763 1.00 0.00 C ATOM 181 NE ARG A 13 5.851 -3.596 4.590 1.00 0.00 N ATOM 182 CZ ARG A 13 6.481 -4.597 5.212 1.00 0.00 C ATOM 183 NH1 ARG A 13 6.139 -5.863 4.971 1.00 0.00 N ATOM 184 NH2 ARG A 13 7.474 -4.335 6.056 1.00 0.00 N ATOM 0 H ARG A 13 3.751 -2.955 -0.482 1.00 0.00 H new ATOM 0 HA ARG A 13 3.240 -4.747 1.791 1.00 0.00 H new ATOM 0 HB2 ARG A 13 3.007 -1.738 1.512 1.00 0.00 H new ATOM 0 HB3 ARG A 13 2.328 -2.645 2.849 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.270 -2.495 2.126 1.00 0.00 H new ATOM 0 HG3 ARG A 13 4.487 -1.628 3.433 1.00 0.00 H new ATOM 0 HD2 ARG A 13 3.786 -3.860 4.404 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.742 -4.647 3.164 1.00 0.00 H new ATOM 0 HE ARG A 13 6.234 -2.657 4.703 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.392 -6.072 4.308 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.624 -6.622 5.449 1.00 0.00 H new ATOM 0 HH21 ARG A 13 7.755 -3.370 6.229 1.00 0.00 H new ATOM 0 HH22 ARG A 13 7.955 -5.099 6.531 1.00 0.00 H new ATOM 198 N CYS A 14 0.804 -4.757 1.353 1.00 0.00 N ATOM 199 CA CYS A 14 -0.571 -4.865 0.994 1.00 0.00 C ATOM 200 C CYS A 14 -1.426 -4.254 2.064 1.00 0.00 C ATOM 201 O CYS A 14 -1.308 -4.602 3.240 1.00 0.00 O ATOM 202 CB CYS A 14 -0.973 -6.304 0.695 1.00 0.00 C ATOM 203 SG CYS A 14 -0.046 -7.057 -0.696 1.00 0.00 S ATOM 0 H CYS A 14 1.098 -5.360 2.121 1.00 0.00 H new ATOM 0 HA CYS A 14 -0.728 -4.310 0.069 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.821 -6.907 1.590 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -2.039 -6.334 0.468 1.00 0.00 H new ATOM 208 N ILE A 15 -2.226 -3.314 1.677 1.00 0.00 N ATOM 209 CA ILE A 15 -3.072 -2.612 2.609 1.00 0.00 C ATOM 210 C ILE A 15 -4.478 -2.534 2.027 1.00 0.00 C ATOM 211 O ILE A 15 -4.661 -2.635 0.811 1.00 0.00 O ATOM 212 CB ILE A 15 -2.497 -1.170 2.895 1.00 0.00 C ATOM 213 CG1 ILE A 15 -3.305 -0.416 3.971 1.00 0.00 C ATOM 214 CG2 ILE A 15 -2.406 -0.341 1.620 1.00 0.00 C ATOM 215 CD1 ILE A 15 -3.278 -1.066 5.336 1.00 0.00 C ATOM 0 H ILE A 15 -2.317 -3.006 0.709 1.00 0.00 H new ATOM 0 HA ILE A 15 -3.104 -3.147 3.558 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.489 -1.315 3.285 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -2.916 0.599 4.057 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -4.340 -0.334 3.641 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.006 0.645 1.855 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -1.748 -0.839 0.908 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.399 -0.235 1.183 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -3.870 -0.473 6.033 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -3.695 -2.071 5.269 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -2.249 -1.124 5.691 1.00 0.00 H new ATOM 227 N CYS A 16 -5.465 -2.428 2.862 1.00 0.00 N ATOM 228 CA CYS A 16 -6.797 -2.277 2.370 1.00 0.00 C ATOM 229 C CYS A 16 -7.299 -0.905 2.732 1.00 0.00 C ATOM 230 O CYS A 16 -7.089 -0.428 3.854 1.00 0.00 O ATOM 231 CB CYS A 16 -7.728 -3.387 2.884 1.00 0.00 C ATOM 232 SG CYS A 16 -7.093 -5.095 2.635 1.00 0.00 S ATOM 0 H CYS A 16 -5.375 -2.443 3.878 1.00 0.00 H new ATOM 0 HA CYS A 16 -6.789 -2.376 1.285 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -7.905 -3.231 3.948 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -8.692 -3.295 2.384 1.00 0.00 H new ATOM 237 N THR A 17 -7.880 -0.233 1.784 1.00 0.00 N ATOM 238 CA THR A 17 -8.391 1.080 2.005 1.00 0.00 C ATOM 239 C THR A 17 -9.720 1.208 1.286 1.00 0.00 C ATOM 240 O THR A 17 -9.865 0.755 0.149 1.00 0.00 O ATOM 241 CB THR A 17 -7.412 2.131 1.484 1.00 0.00 C ATOM 242 OG1 THR A 17 -6.079 1.803 1.945 1.00 0.00 O ATOM 243 CG2 THR A 17 -7.773 3.516 1.993 1.00 0.00 C ATOM 0 H THR A 17 -8.012 -0.583 0.835 1.00 0.00 H new ATOM 0 HA THR A 17 -8.526 1.244 3.074 1.00 0.00 H new ATOM 0 HB THR A 17 -7.458 2.134 0.395 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.444 2.472 1.613 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.059 4.243 1.606 1.00 0.00 H new ATOM 0 HG22 THR A 17 -8.776 3.777 1.656 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.743 3.522 3.083 1.00 0.00 H new ATOM 251 N ARG A 18 -10.692 1.752 1.991 1.00 0.00 N ATOM 252 CA ARG A 18 -12.091 1.964 1.527 1.00 0.00 C ATOM 253 C ARG A 18 -12.822 0.633 1.359 1.00 0.00 C ATOM 254 O ARG A 18 -13.982 0.565 0.958 1.00 0.00 O ATOM 255 CB ARG A 18 -12.112 2.771 0.235 1.00 0.00 C ATOM 256 CG ARG A 18 -13.477 3.303 -0.195 1.00 0.00 C ATOM 257 CD ARG A 18 -13.400 3.899 -1.580 1.00 0.00 C ATOM 258 NE ARG A 18 -13.038 2.881 -2.581 1.00 0.00 N ATOM 259 CZ ARG A 18 -12.044 2.992 -3.469 1.00 0.00 C ATOM 260 NH1 ARG A 18 -11.290 4.080 -3.496 1.00 0.00 N ATOM 261 NH2 ARG A 18 -11.810 2.015 -4.329 1.00 0.00 N ATOM 0 H ARG A 18 -10.545 2.080 2.946 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.619 2.535 2.290 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -11.432 3.616 0.346 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -11.717 2.147 -0.567 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -14.209 2.496 -0.180 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -13.819 4.057 0.513 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -14.360 4.343 -1.841 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -12.663 4.702 -1.592 1.00 0.00 H new ATOM 0 HE ARG A 18 -13.589 2.023 -2.598 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -11.466 4.839 -2.837 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -10.533 4.159 -4.175 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.388 1.175 -4.316 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -11.051 2.102 -5.005 1.00 0.00 H new TER 275 ARG A 18