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= -0.0181 (180deg=-0.0181) USER MOD Single : A 17 THR OG1 : rot 180:sc= -0.038 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -11.529 -0.521 2.322 1.00 0.00 N ATOM 2 CA GLY A 1 -11.782 -1.772 1.625 1.00 0.00 C ATOM 3 C GLY A 1 -10.901 -1.963 0.400 1.00 0.00 C ATOM 4 O GLY A 1 -10.636 -3.092 -0.012 1.00 0.00 O ATOM 0 H2 GLY A 1 -12.159 -0.449 3.146 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.622 -2.603 2.313 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -12.828 -1.806 1.321 1.00 0.00 H new ATOM 8 N PHE A 2 -10.430 -0.874 -0.165 1.00 0.00 N ATOM 9 CA PHE A 2 -9.608 -0.923 -1.350 1.00 0.00 C ATOM 10 C PHE A 2 -8.187 -1.174 -0.948 1.00 0.00 C ATOM 11 O PHE A 2 -7.616 -0.431 -0.160 1.00 0.00 O ATOM 12 CB PHE A 2 -9.723 0.392 -2.118 1.00 0.00 C ATOM 13 CG PHE A 2 -8.917 0.503 -3.396 1.00 0.00 C ATOM 14 CD1 PHE A 2 -9.447 0.083 -4.604 1.00 0.00 C ATOM 15 CD2 PHE A 2 -7.642 1.053 -3.386 1.00 0.00 C ATOM 16 CE1 PHE A 2 -8.724 0.210 -5.772 1.00 0.00 C ATOM 17 CE2 PHE A 2 -6.915 1.176 -4.550 1.00 0.00 C ATOM 18 CZ PHE A 2 -7.457 0.756 -5.745 1.00 0.00 C ATOM 0 H PHE A 2 -10.606 0.068 0.184 1.00 0.00 H new ATOM 0 HA PHE A 2 -9.945 -1.730 -2.001 1.00 0.00 H new ATOM 0 HB2 PHE A 2 -10.773 0.553 -2.362 1.00 0.00 H new ATOM 0 HB3 PHE A 2 -9.422 1.202 -1.454 1.00 0.00 H new ATOM 0 HD1 PHE A 2 -10.437 -0.349 -4.632 1.00 0.00 H new ATOM 0 HD2 PHE A 2 -7.214 1.389 -2.453 1.00 0.00 H new ATOM 0 HE1 PHE A 2 -9.150 -0.118 -6.709 1.00 0.00 H new ATOM 0 HE2 PHE A 2 -5.922 1.601 -4.526 1.00 0.00 H new ATOM 0 HZ PHE A 2 -6.891 0.854 -6.660 1.00 0.00 H new ATOM 28 N CYS A 3 -7.632 -2.199 -1.465 1.00 0.00 N ATOM 29 CA CYS A 3 -6.277 -2.538 -1.144 1.00 0.00 C ATOM 30 C CYS A 3 -5.391 -2.372 -2.328 1.00 0.00 C ATOM 31 O CYS A 3 -5.706 -2.814 -3.433 1.00 0.00 O ATOM 32 CB CYS A 3 -6.157 -3.938 -0.565 1.00 0.00 C ATOM 33 SG CYS A 3 -7.055 -4.171 1.009 1.00 0.00 S ATOM 0 H CYS A 3 -8.089 -2.833 -2.121 1.00 0.00 H new ATOM 0 HA CYS A 3 -5.949 -1.844 -0.370 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -6.532 -4.655 -1.295 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -5.103 -4.166 -0.407 1.00 0.00 H new ATOM 38 N ARG A 4 -4.309 -1.717 -2.100 1.00 0.00 N ATOM 39 CA ARG A 4 -3.323 -1.470 -3.098 1.00 0.00 C ATOM 40 C ARG A 4 -1.960 -1.765 -2.509 1.00 0.00 C ATOM 41 O ARG A 4 -1.645 -1.328 -1.400 1.00 0.00 O ATOM 42 CB ARG A 4 -3.398 -0.011 -3.591 1.00 0.00 C ATOM 43 CG ARG A 4 -3.266 1.030 -2.483 1.00 0.00 C ATOM 44 CD ARG A 4 -3.174 2.440 -3.019 1.00 0.00 C ATOM 45 NE ARG A 4 -3.074 3.412 -1.922 1.00 0.00 N ATOM 46 CZ ARG A 4 -1.943 3.996 -1.497 1.00 0.00 C ATOM 47 NH1 ARG A 4 -0.790 3.770 -2.119 1.00 0.00 N ATOM 48 NH2 ARG A 4 -1.975 4.824 -0.463 1.00 0.00 N ATOM 0 H ARG A 4 -4.076 -1.325 -1.188 1.00 0.00 H new ATOM 0 HA ARG A 4 -3.501 -2.116 -3.958 1.00 0.00 H new ATOM 0 HB2 ARG A 4 -2.609 0.154 -4.325 1.00 0.00 H new ATOM 0 HB3 ARG A 4 -4.348 0.139 -4.104 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -4.124 0.955 -1.814 1.00 0.00 H new ATOM 0 HG3 ARG A 4 -2.378 0.812 -1.889 1.00 0.00 H new ATOM 0 HD2 ARG A 4 -2.305 2.530 -3.670 1.00 0.00 H new ATOM 0 HD3 ARG A 4 -4.052 2.660 -3.627 1.00 0.00 H new ATOM 0 HE ARG A 4 -3.938 3.665 -1.442 1.00 0.00 H new ATOM 0 HH11 ARG A 4 -0.760 3.148 -2.927 1.00 0.00 H new ATOM 0 HH12 ARG A 4 0.064 4.219 -1.788 1.00 0.00 H new ATOM 0 HH21 ARG A 4 -2.859 5.017 0.009 1.00 0.00 H new ATOM 0 HH22 ARG A 4 -1.116 5.269 -0.139 1.00 0.00 H new ATOM 62 N CYS A 5 -1.182 -2.528 -3.187 1.00 0.00 N ATOM 63 CA CYS A 5 0.133 -2.806 -2.713 1.00 0.00 C ATOM 64 C CYS A 5 1.132 -1.907 -3.397 1.00 0.00 C ATOM 65 O CYS A 5 0.867 -1.393 -4.501 1.00 0.00 O ATOM 66 CB CYS A 5 0.496 -4.288 -2.839 1.00 0.00 C ATOM 67 SG CYS A 5 -0.569 -5.415 -1.855 1.00 0.00 S ATOM 0 H CYS A 5 -1.428 -2.973 -4.071 1.00 0.00 H new ATOM 0 HA CYS A 5 0.161 -2.589 -1.645 1.00 0.00 H new ATOM 0 HB2 CYS A 5 0.437 -4.576 -3.889 1.00 0.00 H new ATOM 0 HB3 CYS A 5 1.532 -4.424 -2.529 1.00 0.00 H new ATOM 72 N LEU A 6 2.231 -1.662 -2.742 1.00 0.00 N ATOM 73 CA LEU A 6 3.244 -0.787 -3.270 1.00 0.00 C ATOM 74 C LEU A 6 4.631 -1.251 -2.861 1.00 0.00 C ATOM 75 O LEU A 6 4.888 -1.531 -1.680 1.00 0.00 O ATOM 76 CB LEU A 6 3.014 0.643 -2.762 1.00 0.00 C ATOM 77 CG LEU A 6 4.022 1.705 -3.216 1.00 0.00 C ATOM 78 CD1 LEU A 6 3.966 1.916 -4.726 1.00 0.00 C ATOM 79 CD2 LEU A 6 3.792 3.008 -2.471 1.00 0.00 C ATOM 0 H LEU A 6 2.452 -2.061 -1.829 1.00 0.00 H new ATOM 0 HA LEU A 6 3.177 -0.807 -4.358 1.00 0.00 H new ATOM 0 HB2 LEU A 6 2.020 0.960 -3.077 1.00 0.00 H new ATOM 0 HB3 LEU A 6 3.011 0.621 -1.672 1.00 0.00 H new ATOM 0 HG LEU A 6 5.023 1.346 -2.976 1.00 0.00 H new ATOM 0 HD11 LEU A 6 4.693 2.675 -5.015 1.00 0.00 H new ATOM 0 HD12 LEU A 6 4.199 0.980 -5.233 1.00 0.00 H new ATOM 0 HD13 LEU A 6 2.966 2.244 -5.011 1.00 0.00 H new ATOM 0 HD21 LEU A 6 4.516 3.751 -2.805 1.00 0.00 H new ATOM 0 HD22 LEU A 6 2.783 3.369 -2.672 1.00 0.00 H new ATOM 0 HD23 LEU A 6 3.911 2.841 -1.401 1.00 0.00 H new ATOM 91 N CYS A 7 5.499 -1.386 -3.826 1.00 0.00 N ATOM 92 CA CYS A 7 6.877 -1.641 -3.545 1.00 0.00 C ATOM 93 C CYS A 7 7.622 -0.341 -3.521 1.00 0.00 C ATOM 94 O CYS A 7 7.809 0.319 -4.550 1.00 0.00 O ATOM 95 CB CYS A 7 7.488 -2.654 -4.504 1.00 0.00 C ATOM 96 SG CYS A 7 6.705 -4.306 -4.404 1.00 0.00 S ATOM 0 H CYS A 7 5.270 -1.322 -4.818 1.00 0.00 H new ATOM 0 HA CYS A 7 6.957 -2.103 -2.561 1.00 0.00 H new ATOM 0 HB2 CYS A 7 7.400 -2.278 -5.523 1.00 0.00 H new ATOM 0 HB3 CYS A 7 8.553 -2.750 -4.291 1.00 0.00 H new ATOM 101 N ARG A 8 8.016 0.021 -2.331 1.00 0.00 N ATOM 102 CA ARG A 8 8.655 1.269 -2.032 1.00 0.00 C ATOM 103 C ARG A 8 10.039 0.978 -1.465 1.00 0.00 C ATOM 104 O ARG A 8 10.157 0.258 -0.475 1.00 0.00 O ATOM 105 CB ARG A 8 7.789 2.012 -0.988 1.00 0.00 C ATOM 106 CG ARG A 8 8.349 3.331 -0.482 1.00 0.00 C ATOM 107 CD ARG A 8 8.334 4.405 -1.549 1.00 0.00 C ATOM 108 NE ARG A 8 8.982 5.636 -1.086 1.00 0.00 N ATOM 109 CZ ARG A 8 8.870 6.827 -1.680 1.00 0.00 C ATOM 110 NH1 ARG A 8 7.883 7.047 -2.558 1.00 0.00 N ATOM 111 NH2 ARG A 8 9.687 7.822 -1.325 1.00 0.00 N ATOM 0 H ARG A 8 7.894 -0.572 -1.510 1.00 0.00 H new ATOM 0 HA ARG A 8 8.759 1.887 -2.924 1.00 0.00 H new ATOM 0 HB2 ARG A 8 6.808 2.199 -1.425 1.00 0.00 H new ATOM 0 HB3 ARG A 8 7.637 1.352 -0.134 1.00 0.00 H new ATOM 0 HG2 ARG A 8 7.767 3.666 0.376 1.00 0.00 H new ATOM 0 HG3 ARG A 8 9.371 3.181 -0.135 1.00 0.00 H new ATOM 0 HD2 ARG A 8 8.842 4.039 -2.441 1.00 0.00 H new ATOM 0 HD3 ARG A 8 7.304 4.621 -1.834 1.00 0.00 H new ATOM 0 HE ARG A 8 9.561 5.579 -0.248 1.00 0.00 H new ATOM 0 HH11 ARG A 8 7.217 6.305 -2.773 1.00 0.00 H new ATOM 0 HH12 ARG A 8 7.797 7.957 -3.012 1.00 0.00 H new ATOM 0 HH21 ARG A 8 10.392 7.670 -0.604 1.00 0.00 H new ATOM 0 HH22 ARG A 8 9.606 8.734 -1.775 1.00 0.00 H new ATOM 125 N ARG A 9 11.081 1.488 -2.129 1.00 0.00 N ATOM 126 CA ARG A 9 12.486 1.313 -1.693 1.00 0.00 C ATOM 127 C ARG A 9 12.867 -0.202 -1.680 1.00 0.00 C ATOM 128 O ARG A 9 13.694 -0.675 -0.886 1.00 0.00 O ATOM 129 CB ARG A 9 12.693 2.007 -0.310 1.00 0.00 C ATOM 130 CG ARG A 9 14.102 1.973 0.263 1.00 0.00 C ATOM 131 CD ARG A 9 14.158 2.654 1.614 1.00 0.00 C ATOM 132 NE ARG A 9 15.443 2.433 2.285 1.00 0.00 N ATOM 133 CZ ARG A 9 15.912 3.146 3.317 1.00 0.00 C ATOM 134 NH1 ARG A 9 15.281 4.247 3.718 1.00 0.00 N ATOM 135 NH2 ARG A 9 17.029 2.772 3.928 1.00 0.00 N ATOM 0 H ARG A 9 10.983 2.035 -2.984 1.00 0.00 H new ATOM 0 HA ARG A 9 13.161 1.794 -2.401 1.00 0.00 H new ATOM 0 HB2 ARG A 9 12.387 3.049 -0.402 1.00 0.00 H new ATOM 0 HB3 ARG A 9 12.021 1.540 0.410 1.00 0.00 H new ATOM 0 HG2 ARG A 9 14.434 0.939 0.359 1.00 0.00 H new ATOM 0 HG3 ARG A 9 14.789 2.466 -0.425 1.00 0.00 H new ATOM 0 HD2 ARG A 9 13.994 3.724 1.488 1.00 0.00 H new ATOM 0 HD3 ARG A 9 13.351 2.279 2.243 1.00 0.00 H new ATOM 0 HE ARG A 9 16.028 1.673 1.937 1.00 0.00 H new ATOM 0 HH11 ARG A 9 14.434 4.553 3.239 1.00 0.00 H new ATOM 0 HH12 ARG A 9 15.644 4.785 4.505 1.00 0.00 H new ATOM 0 HH21 ARG A 9 17.530 1.942 3.612 1.00 0.00 H new ATOM 0 HH22 ARG A 9 17.387 3.315 4.714 1.00 0.00 H new ATOM 149 N GLY A 10 12.229 -0.962 -2.563 1.00 0.00 N ATOM 150 CA GLY A 10 12.471 -2.396 -2.663 1.00 0.00 C ATOM 151 C GLY A 10 11.665 -3.191 -1.652 1.00 0.00 C ATOM 152 O GLY A 10 11.565 -4.428 -1.738 1.00 0.00 O ATOM 0 H GLY A 10 11.537 -0.606 -3.223 1.00 0.00 H new ATOM 0 HA2 GLY A 10 12.222 -2.734 -3.669 1.00 0.00 H new ATOM 0 HA3 GLY A 10 13.532 -2.594 -2.514 1.00 0.00 H new ATOM 156 N ASP A 11 11.076 -2.491 -0.730 1.00 0.00 N ATOM 157 CA ASP A 11 10.313 -3.079 0.334 1.00 0.00 C ATOM 158 C ASP A 11 8.843 -2.965 -0.009 1.00 0.00 C ATOM 159 O ASP A 11 8.330 -1.870 -0.247 1.00 0.00 O ATOM 160 CB ASP A 11 10.652 -2.358 1.638 1.00 0.00 C ATOM 161 CG ASP A 11 9.778 -2.731 2.801 1.00 0.00 C ATOM 162 OD1 ASP A 11 10.003 -3.776 3.440 1.00 0.00 O ATOM 163 OD2 ASP A 11 8.874 -1.952 3.133 1.00 0.00 O ATOM 0 H ASP A 11 11.112 -1.472 -0.694 1.00 0.00 H new ATOM 0 HA ASP A 11 10.553 -4.135 0.460 1.00 0.00 H new ATOM 0 HB2 ASP A 11 11.689 -2.570 1.897 1.00 0.00 H new ATOM 0 HB3 ASP A 11 10.578 -1.283 1.474 1.00 0.00 H new ATOM 168 N CYS A 12 8.186 -4.073 -0.099 1.00 0.00 N ATOM 169 CA CYS A 12 6.817 -4.075 -0.504 1.00 0.00 C ATOM 170 C CYS A 12 5.909 -4.104 0.675 1.00 0.00 C ATOM 171 O CYS A 12 6.096 -4.879 1.605 1.00 0.00 O ATOM 172 CB CYS A 12 6.529 -5.202 -1.472 1.00 0.00 C ATOM 173 SG CYS A 12 7.691 -5.259 -2.900 1.00 0.00 S ATOM 0 H CYS A 12 8.576 -4.994 0.103 1.00 0.00 H new ATOM 0 HA CYS A 12 6.623 -3.144 -1.036 1.00 0.00 H new ATOM 0 HB2 CYS A 12 6.576 -6.151 -0.937 1.00 0.00 H new ATOM 0 HB3 CYS A 12 5.511 -5.097 -1.846 1.00 0.00 H new ATOM 178 N ARG A 13 4.952 -3.234 0.634 1.00 0.00 N ATOM 179 CA ARG A 13 3.979 -3.065 1.675 1.00 0.00 C ATOM 180 C ARG A 13 2.635 -2.970 1.025 1.00 0.00 C ATOM 181 O ARG A 13 2.545 -2.665 -0.169 1.00 0.00 O ATOM 182 CB ARG A 13 4.248 -1.767 2.461 1.00 0.00 C ATOM 183 CG ARG A 13 5.595 -1.724 3.147 1.00 0.00 C ATOM 184 CD ARG A 13 5.679 -2.748 4.256 1.00 0.00 C ATOM 185 NE ARG A 13 7.040 -2.934 4.706 1.00 0.00 N ATOM 186 CZ ARG A 13 7.415 -3.441 5.865 1.00 0.00 C ATOM 187 NH1 ARG A 13 6.529 -3.629 6.843 1.00 0.00 N ATOM 188 NH2 ARG A 13 8.694 -3.730 6.053 1.00 0.00 N ATOM 0 H ARG A 13 4.818 -2.597 -0.151 1.00 0.00 H new ATOM 0 HA ARG A 13 4.028 -3.905 2.368 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.174 -0.920 1.778 1.00 0.00 H new ATOM 0 HB3 ARG A 13 3.467 -1.641 3.211 1.00 0.00 H new ATOM 0 HG2 ARG A 13 6.383 -1.909 2.417 1.00 0.00 H new ATOM 0 HG3 ARG A 13 5.766 -0.728 3.555 1.00 0.00 H new ATOM 0 HD2 ARG A 13 5.058 -2.430 5.094 1.00 0.00 H new ATOM 0 HD3 ARG A 13 5.278 -3.699 3.905 1.00 0.00 H new ATOM 0 HE ARG A 13 7.781 -2.646 4.067 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.550 -3.380 6.699 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.830 -4.022 7.735 1.00 0.00 H new ATOM 0 HH21 ARG A 13 9.370 -3.560 5.308 1.00 0.00 H new ATOM 0 HH22 ARG A 13 9.003 -4.123 6.942 1.00 0.00 H new ATOM 202 N CYS A 14 1.606 -3.241 1.749 1.00 0.00 N ATOM 203 CA CYS A 14 0.303 -3.084 1.203 1.00 0.00 C ATOM 204 C CYS A 14 -0.477 -2.090 2.012 1.00 0.00 C ATOM 205 O CYS A 14 -0.289 -1.978 3.223 1.00 0.00 O ATOM 206 CB CYS A 14 -0.432 -4.407 1.043 1.00 0.00 C ATOM 207 SG CYS A 14 0.403 -5.602 -0.072 1.00 0.00 S ATOM 0 H CYS A 14 1.639 -3.570 2.714 1.00 0.00 H new ATOM 0 HA CYS A 14 0.410 -2.692 0.192 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -0.550 -4.865 2.025 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -1.433 -4.209 0.661 1.00 0.00 H new ATOM 212 N ILE A 15 -1.274 -1.323 1.338 1.00 0.00 N ATOM 213 CA ILE A 15 -2.063 -0.295 1.963 1.00 0.00 C ATOM 214 C ILE A 15 -3.528 -0.512 1.616 1.00 0.00 C ATOM 215 O ILE A 15 -3.899 -0.535 0.435 1.00 0.00 O ATOM 216 CB ILE A 15 -1.649 1.173 1.516 1.00 0.00 C ATOM 217 CG1 ILE A 15 -0.169 1.531 1.844 1.00 0.00 C ATOM 218 CG2 ILE A 15 -2.568 2.213 2.154 1.00 0.00 C ATOM 219 CD1 ILE A 15 0.876 0.914 0.923 1.00 0.00 C ATOM 0 H ILE A 15 -1.401 -1.389 0.328 1.00 0.00 H new ATOM 0 HA ILE A 15 -1.888 -0.371 3.036 1.00 0.00 H new ATOM 0 HB ILE A 15 -1.754 1.188 0.431 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -0.060 2.615 1.813 1.00 0.00 H new ATOM 0 HG13 ILE A 15 0.044 1.219 2.866 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -2.266 3.210 1.834 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.597 2.028 1.844 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -2.498 2.143 3.240 1.00 0.00 H new ATOM 0 HD11 ILE A 15 1.871 1.227 1.240 1.00 0.00 H new ATOM 0 HD12 ILE A 15 0.806 -0.173 0.970 1.00 0.00 H new ATOM 0 HD13 ILE A 15 0.700 1.245 -0.100 1.00 0.00 H new ATOM 231 N CYS A 16 -4.332 -0.711 2.608 1.00 0.00 N ATOM 232 CA CYS A 16 -5.747 -0.805 2.415 1.00 0.00 C ATOM 233 C CYS A 16 -6.395 0.450 2.921 1.00 0.00 C ATOM 234 O CYS A 16 -5.968 1.034 3.920 1.00 0.00 O ATOM 235 CB CYS A 16 -6.345 -2.037 3.085 1.00 0.00 C ATOM 236 SG CYS A 16 -5.709 -3.638 2.446 1.00 0.00 S ATOM 0 H CYS A 16 -4.029 -0.813 3.577 1.00 0.00 H new ATOM 0 HA CYS A 16 -5.940 -0.915 1.348 1.00 0.00 H new ATOM 0 HB2 CYS A 16 -6.148 -1.984 4.156 1.00 0.00 H new ATOM 0 HB3 CYS A 16 -7.427 -2.014 2.958 1.00 0.00 H new ATOM 241 N THR A 17 -7.349 0.909 2.202 1.00 0.00 N ATOM 242 CA THR A 17 -8.055 2.095 2.528 1.00 0.00 C ATOM 243 C THR A 17 -9.499 1.931 2.079 1.00 0.00 C ATOM 244 O THR A 17 -9.773 1.742 0.884 1.00 0.00 O ATOM 245 CB THR A 17 -7.451 3.277 1.787 1.00 0.00 C ATOM 246 OG1 THR A 17 -6.007 3.251 1.905 1.00 0.00 O ATOM 247 CG2 THR A 17 -7.961 4.580 2.345 1.00 0.00 C ATOM 0 H THR A 17 -7.672 0.459 1.345 1.00 0.00 H new ATOM 0 HA THR A 17 -7.997 2.272 3.602 1.00 0.00 H new ATOM 0 HB THR A 17 -7.742 3.199 0.739 1.00 0.00 H new ATOM 0 HG1 THR A 17 -5.626 4.015 1.424 1.00 0.00 H new ATOM 0 HG21 THR A 17 -7.514 5.410 1.798 1.00 0.00 H new ATOM 0 HG22 THR A 17 -9.045 4.620 2.243 1.00 0.00 H new ATOM 0 HG23 THR A 17 -7.693 4.654 3.399 1.00 0.00 H new ATOM 255 N ARG A 18 -10.387 1.967 3.037 1.00 0.00 N ATOM 256 CA ARG A 18 -11.825 1.839 2.850 1.00 0.00 C ATOM 257 C ARG A 18 -12.164 0.585 1.994 1.00 0.00 C ATOM 258 O ARG A 18 -12.916 0.644 1.018 1.00 0.00 O ATOM 259 CB ARG A 18 -12.373 3.139 2.229 1.00 0.00 C ATOM 260 CG ARG A 18 -13.876 3.198 2.076 1.00 0.00 C ATOM 261 CD ARG A 18 -14.289 4.375 1.204 1.00 0.00 C ATOM 262 NE ARG A 18 -13.656 4.306 -0.125 1.00 0.00 N ATOM 263 CZ ARG A 18 -14.041 4.970 -1.217 1.00 0.00 C ATOM 264 NH1 ARG A 18 -15.150 5.711 -1.206 1.00 0.00 N ATOM 265 NH2 ARG A 18 -13.321 4.857 -2.331 1.00 0.00 N ATOM 0 H ARG A 18 -10.126 2.091 4.015 1.00 0.00 H new ATOM 0 HA ARG A 18 -12.310 1.692 3.815 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -12.054 3.979 2.845 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -11.919 3.273 1.247 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -14.237 2.269 1.634 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -14.342 3.287 3.057 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -15.373 4.385 1.092 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -14.011 5.308 1.694 1.00 0.00 H new ATOM 0 HE ARG A 18 -12.847 3.692 -0.219 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -15.713 5.774 -0.358 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -15.435 6.214 -2.046 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -12.488 4.269 -2.342 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -13.603 5.358 -3.173 1.00 0.00 H new TER 279 ARG A 18