USER MOD reduce.3.24.130724 H: found=0, std=0, add=134, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 136 hydrogens (2 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 Single : A 1 VAL N :NH3+ 171:sc= -0.0118 (180deg=-0.161) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -6.105 2.405 4.750 1.00 0.00 N ATOM 2 CA VAL A 1 -5.404 1.178 4.294 1.00 0.00 C ATOM 3 C VAL A 1 -6.376 -0.002 4.214 1.00 0.00 C ATOM 4 O VAL A 1 -6.067 -1.118 4.635 1.00 0.00 O ATOM 5 CB VAL A 1 -4.223 0.836 5.232 1.00 0.00 C ATOM 6 CG1 VAL A 1 -4.717 0.484 6.628 1.00 0.00 C ATOM 7 CG2 VAL A 1 -3.371 -0.286 4.653 1.00 0.00 C ATOM 0 H1 VAL A 1 -5.407 3.152 4.944 1.00 0.00 H new ATOM 0 H2 VAL A 1 -6.759 2.727 4.008 1.00 0.00 H new ATOM 0 H3 VAL A 1 -6.640 2.197 5.617 1.00 0.00 H new ATOM 0 HA VAL A 1 -5.007 1.370 3.297 1.00 0.00 H new ATOM 0 HB VAL A 1 -3.595 1.723 5.315 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -3.866 0.248 7.266 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -5.260 1.331 7.046 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -5.379 -0.380 6.572 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -2.548 -0.506 5.333 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -3.983 -1.178 4.524 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -2.971 0.022 3.687 1.00 0.00 H new ATOM 19 N ARG A 2 -7.559 0.256 3.662 1.00 0.00 N ATOM 20 CA ARG A 2 -8.580 -0.777 3.518 1.00 0.00 C ATOM 21 C ARG A 2 -8.051 -1.942 2.689 1.00 0.00 C ATOM 22 O ARG A 2 -8.357 -3.103 2.962 1.00 0.00 O ATOM 23 CB ARG A 2 -9.836 -0.200 2.859 1.00 0.00 C ATOM 24 CG ARG A 2 -9.591 0.359 1.466 1.00 0.00 C ATOM 25 CD ARG A 2 -10.889 0.789 0.802 1.00 0.00 C ATOM 26 NE ARG A 2 -11.576 1.829 1.564 1.00 0.00 N ATOM 27 CZ ARG A 2 -12.728 2.378 1.190 1.00 0.00 C ATOM 28 NH1 ARG A 2 -13.323 1.986 0.071 1.00 0.00 N ATOM 29 NH2 ARG A 2 -13.288 3.321 1.936 1.00 0.00 N ATOM 0 H ARG A 2 -7.834 1.172 3.307 1.00 0.00 H new ATOM 0 HA ARG A 2 -8.837 -1.141 4.513 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -10.596 -0.979 2.800 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -10.238 0.590 3.493 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -8.914 1.211 1.529 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -9.099 -0.395 0.852 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -10.678 1.155 -0.203 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -11.545 -0.075 0.695 1.00 0.00 H new ATOM 0 HE ARG A 2 -11.148 2.152 2.432 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -12.897 1.261 -0.506 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -14.207 2.410 -0.212 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -12.835 3.626 2.798 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -14.172 3.741 1.648 1.00 0.00 H new ATOM 43 N ARG A 3 -7.257 -1.618 1.673 1.00 0.00 N ATOM 44 CA ARG A 3 -6.679 -2.628 0.794 1.00 0.00 C ATOM 45 C ARG A 3 -5.241 -2.266 0.438 1.00 0.00 C ATOM 46 O ARG A 3 -4.350 -3.116 0.472 1.00 0.00 O ATOM 47 CB ARG A 3 -7.516 -2.763 -0.482 1.00 0.00 C ATOM 48 CG ARG A 3 -8.946 -3.217 -0.229 1.00 0.00 C ATOM 49 CD ARG A 3 -8.996 -4.643 0.297 1.00 0.00 C ATOM 50 NE ARG A 3 -8.542 -5.614 -0.698 1.00 0.00 N ATOM 51 CZ ARG A 3 -9.182 -5.858 -1.839 1.00 0.00 C ATOM 52 NH1 ARG A 3 -10.311 -5.221 -2.123 1.00 0.00 N ATOM 53 NH2 ARG A 3 -8.696 -6.745 -2.696 1.00 0.00 N ATOM 0 H ARG A 3 -6.999 -0.660 1.438 1.00 0.00 H new ATOM 0 HA ARG A 3 -6.679 -3.583 1.320 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -7.535 -1.803 -0.997 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -7.031 -3.474 -1.151 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -9.419 -2.547 0.489 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -9.519 -3.149 -1.154 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -8.375 -4.722 1.189 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -10.016 -4.882 0.597 1.00 0.00 H new ATOM 0 HE ARG A 3 -7.686 -6.134 -0.506 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -10.692 -4.541 -1.465 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -10.798 -5.412 -2.999 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -7.831 -7.241 -2.481 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -9.187 -6.932 -3.570 1.00 0.00 H new ATOM 67 N PHE A 4 -5.023 -0.995 0.105 1.00 0.00 N ATOM 68 CA PHE A 4 -3.693 -0.509 -0.251 1.00 0.00 C ATOM 69 C PHE A 4 -3.693 1.002 -0.475 1.00 0.00 C ATOM 70 O PHE A 4 -4.625 1.559 -1.056 1.00 0.00 O ATOM 71 CB PHE A 4 -3.165 -1.230 -1.492 1.00 0.00 C ATOM 72 CG PHE A 4 -4.095 -1.187 -2.676 1.00 0.00 C ATOM 73 CD1 PHE A 4 -4.226 -0.039 -3.443 1.00 0.00 C ATOM 74 CD2 PHE A 4 -4.832 -2.307 -3.024 1.00 0.00 C ATOM 75 CE1 PHE A 4 -5.078 -0.010 -4.532 1.00 0.00 C ATOM 76 CE2 PHE A 4 -5.684 -2.285 -4.111 1.00 0.00 C ATOM 77 CZ PHE A 4 -5.808 -1.135 -4.866 1.00 0.00 C ATOM 0 H PHE A 4 -5.752 -0.283 0.075 1.00 0.00 H new ATOM 0 HA PHE A 4 -3.030 -0.726 0.586 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -2.211 -0.786 -1.778 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -2.968 -2.271 -1.237 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -3.656 0.842 -3.187 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -4.739 -3.209 -2.438 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -5.173 0.891 -5.121 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -6.253 -3.166 -4.370 1.00 0.00 H new ATOM 0 HZ PHE A 4 -6.474 -1.115 -5.716 1.00 0.00 H new ATOM 87 N PRO A 5 -2.638 1.684 -0.002 1.00 0.00 N ATOM 88 CA PRO A 5 -2.502 3.130 -0.139 1.00 0.00 C ATOM 89 C PRO A 5 -1.999 3.539 -1.525 1.00 0.00 C ATOM 90 O PRO A 5 -2.779 3.628 -2.474 1.00 0.00 O ATOM 91 CB PRO A 5 -1.488 3.489 0.950 1.00 0.00 C ATOM 92 CG PRO A 5 -0.659 2.263 1.137 1.00 0.00 C ATOM 93 CD PRO A 5 -1.497 1.085 0.708 1.00 0.00 C ATOM 0 HA PRO A 5 -3.455 3.649 -0.032 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -0.873 4.337 0.650 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.989 3.770 1.876 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.253 2.322 0.544 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.356 2.160 2.179 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -0.935 0.413 0.060 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -1.827 0.499 1.566 1.00 0.00 H new ATOM 101 N TRP A 6 -0.697 3.791 -1.632 1.00 0.00 N ATOM 102 CA TRP A 6 -0.087 4.198 -2.895 1.00 0.00 C ATOM 103 C TRP A 6 1.430 4.265 -2.749 1.00 0.00 C ATOM 104 O TRP A 6 2.176 3.870 -3.645 1.00 0.00 O ATOM 105 CB TRP A 6 -0.636 5.560 -3.323 1.00 0.00 C ATOM 106 CG TRP A 6 -0.480 6.615 -2.270 1.00 0.00 C ATOM 107 CD1 TRP A 6 -1.227 6.754 -1.135 1.00 0.00 C ATOM 108 CD2 TRP A 6 0.474 7.683 -2.257 1.00 0.00 C ATOM 109 NE1 TRP A 6 -0.791 7.840 -0.414 1.00 0.00 N ATOM 110 CE2 TRP A 6 0.250 8.428 -1.083 1.00 0.00 C ATOM 111 CE3 TRP A 6 1.497 8.080 -3.122 1.00 0.00 C ATOM 112 CZ2 TRP A 6 1.012 9.547 -0.755 1.00 0.00 C ATOM 113 CZ3 TRP A 6 2.252 9.191 -2.795 1.00 0.00 C ATOM 114 CH2 TRP A 6 2.006 9.913 -1.620 1.00 0.00 C ATOM 0 H TRP A 6 -0.041 3.720 -0.854 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.332 3.461 -3.660 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -0.125 5.882 -4.230 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -1.692 5.457 -3.572 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -2.041 6.106 -0.846 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -1.179 8.157 0.474 1.00 0.00 H new ATOM 0 HE3 TRP A 6 1.694 7.529 -4.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 0.824 10.106 0.150 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 3.045 9.508 -3.457 1.00 0.00 H new ATOM 0 HH2 TRP A 6 2.614 10.776 -1.393 1.00 0.00 H new ATOM 125 N TRP A 7 1.865 4.770 -1.603 1.00 0.00 N ATOM 126 CA TRP A 7 3.282 4.909 -1.289 1.00 0.00 C ATOM 127 C TRP A 7 3.908 3.570 -0.909 1.00 0.00 C ATOM 128 O TRP A 7 5.069 3.522 -0.501 1.00 0.00 O ATOM 129 CB TRP A 7 3.437 5.886 -0.118 1.00 0.00 C ATOM 130 CG TRP A 7 2.535 5.554 1.040 1.00 0.00 C ATOM 131 CD1 TRP A 7 1.470 6.286 1.480 1.00 0.00 C ATOM 132 CD2 TRP A 7 2.614 4.409 1.905 1.00 0.00 C ATOM 133 NE1 TRP A 7 0.873 5.660 2.549 1.00 0.00 N ATOM 134 CE2 TRP A 7 1.560 4.508 2.830 1.00 0.00 C ATOM 135 CE3 TRP A 7 3.470 3.308 1.982 1.00 0.00 C ATOM 136 CZ2 TRP A 7 1.344 3.547 3.816 1.00 0.00 C ATOM 137 CZ3 TRP A 7 3.254 2.359 2.955 1.00 0.00 C ATOM 138 CH2 TRP A 7 2.201 2.480 3.860 1.00 0.00 C ATOM 0 H TRP A 7 1.244 5.096 -0.862 1.00 0.00 H new ATOM 0 HA TRP A 7 3.794 5.282 -2.176 1.00 0.00 H new ATOM 0 HB2 TRP A 7 4.473 5.879 0.221 1.00 0.00 H new ATOM 0 HB3 TRP A 7 3.221 6.897 -0.463 1.00 0.00 H new ATOM 0 HD1 TRP A 7 1.143 7.222 1.051 1.00 0.00 H new ATOM 0 HE1 TRP A 7 0.052 5.998 3.051 1.00 0.00 H new ATOM 0 HE3 TRP A 7 4.290 3.203 1.287 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 0.530 3.641 4.520 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 3.912 1.505 3.018 1.00 0.00 H new ATOM 0 HH2 TRP A 7 2.058 1.717 4.611 1.00 0.00 H new ATOM 149 N TRP A 8 3.124 2.495 -0.994 1.00 0.00 N ATOM 150 CA TRP A 8 3.592 1.170 -0.607 1.00 0.00 C ATOM 151 C TRP A 8 4.796 0.699 -1.412 1.00 0.00 C ATOM 152 O TRP A 8 5.706 1.474 -1.706 1.00 0.00 O ATOM 153 CB TRP A 8 2.443 0.162 -0.691 1.00 0.00 C ATOM 154 CG TRP A 8 1.563 0.332 -1.889 1.00 0.00 C ATOM 155 CD1 TRP A 8 0.400 1.034 -1.933 1.00 0.00 C ATOM 156 CD2 TRP A 8 1.743 -0.231 -3.195 1.00 0.00 C ATOM 157 NE1 TRP A 8 -0.151 0.963 -3.188 1.00 0.00 N ATOM 158 CE2 TRP A 8 0.653 0.188 -3.980 1.00 0.00 C ATOM 159 CE3 TRP A 8 2.718 -1.042 -3.779 1.00 0.00 C ATOM 160 CZ2 TRP A 8 0.512 -0.177 -5.315 1.00 0.00 C ATOM 161 CZ3 TRP A 8 2.576 -1.406 -5.104 1.00 0.00 C ATOM 162 CH2 TRP A 8 1.480 -0.974 -5.858 1.00 0.00 C ATOM 0 H TRP A 8 2.161 2.519 -1.328 1.00 0.00 H new ATOM 0 HA TRP A 8 3.934 1.241 0.426 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.859 -0.846 -0.700 1.00 0.00 H new ATOM 0 HB3 TRP A 8 1.833 0.247 0.209 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.029 1.571 -1.100 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.017 1.414 -3.482 1.00 0.00 H new ATOM 0 HE3 TRP A 8 3.568 -1.379 -3.205 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -0.332 0.157 -5.901 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 3.323 -2.034 -5.565 1.00 0.00 H new ATOM 0 HH2 TRP A 8 1.397 -1.277 -6.891 1.00 0.00 H new ATOM 173 N ALA A 9 4.813 -0.592 -1.723 1.00 0.00 N ATOM 174 CA ALA A 9 5.920 -1.193 -2.444 1.00 0.00 C ATOM 175 C ALA A 9 7.150 -1.212 -1.546 1.00 0.00 C ATOM 176 O ALA A 9 8.277 -1.001 -1.994 1.00 0.00 O ATOM 177 CB ALA A 9 6.202 -0.451 -3.745 1.00 0.00 C ATOM 0 H ALA A 9 4.065 -1.243 -1.484 1.00 0.00 H new ATOM 0 HA ALA A 9 5.655 -2.216 -2.712 1.00 0.00 H new ATOM 0 HB1 ALA A 9 7.036 -0.926 -4.261 1.00 0.00 H new ATOM 0 HB2 ALA A 9 5.317 -0.482 -4.381 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.454 0.586 -3.525 1.00 0.00 H new ATOM 183 N PHE A 10 6.903 -1.466 -0.263 1.00 0.00 N ATOM 184 CA PHE A 10 7.954 -1.520 0.745 1.00 0.00 C ATOM 185 C PHE A 10 7.548 -2.475 1.860 1.00 0.00 C ATOM 186 O PHE A 10 8.248 -3.445 2.152 1.00 0.00 O ATOM 187 CB PHE A 10 8.203 -0.123 1.324 1.00 0.00 C ATOM 188 CG PHE A 10 9.372 -0.060 2.268 1.00 0.00 C ATOM 189 CD1 PHE A 10 10.589 -0.629 1.926 1.00 0.00 C ATOM 190 CD2 PHE A 10 9.253 0.569 3.498 1.00 0.00 C ATOM 191 CE1 PHE A 10 11.665 -0.571 2.791 1.00 0.00 C ATOM 192 CE2 PHE A 10 10.326 0.629 4.367 1.00 0.00 C ATOM 193 CZ PHE A 10 11.533 0.058 4.013 1.00 0.00 C ATOM 0 H PHE A 10 5.968 -1.640 0.105 1.00 0.00 H new ATOM 0 HA PHE A 10 8.872 -1.878 0.280 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.371 0.576 0.504 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.306 0.209 1.847 1.00 0.00 H new ATOM 0 HD1 PHE A 10 10.697 -1.124 0.972 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.312 1.017 3.780 1.00 0.00 H new ATOM 0 HE1 PHE A 10 12.608 -1.017 2.512 1.00 0.00 H new ATOM 0 HE2 PHE A 10 10.221 1.122 5.322 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.372 0.104 4.691 1.00 0.00 H new ATOM 203 N LEU A 11 6.393 -2.203 2.458 1.00 0.00 N ATOM 204 CA LEU A 11 5.858 -3.043 3.521 1.00 0.00 C ATOM 205 C LEU A 11 4.680 -3.847 2.990 1.00 0.00 C ATOM 206 O LEU A 11 4.463 -4.995 3.378 1.00 0.00 O ATOM 207 CB LEU A 11 5.443 -2.192 4.731 1.00 0.00 C ATOM 208 CG LEU A 11 4.428 -1.075 4.453 1.00 0.00 C ATOM 209 CD1 LEU A 11 3.009 -1.623 4.404 1.00 0.00 C ATOM 210 CD2 LEU A 11 4.540 0.016 5.507 1.00 0.00 C ATOM 0 H LEU A 11 5.807 -1.402 2.222 1.00 0.00 H new ATOM 0 HA LEU A 11 6.633 -3.733 3.854 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.026 -2.854 5.489 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.339 -1.743 5.158 1.00 0.00 H new ATOM 0 HG LEU A 11 4.657 -0.646 3.478 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.311 -0.809 4.206 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.934 -2.367 3.611 1.00 0.00 H new ATOM 0 HD13 LEU A 11 2.764 -2.086 5.360 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.814 0.801 5.296 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.341 -0.407 6.492 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.545 0.437 5.489 1.00 0.00 H new ATOM 222 N ARG A 12 3.931 -3.225 2.086 1.00 0.00 N ATOM 223 CA ARG A 12 2.773 -3.854 1.469 1.00 0.00 C ATOM 224 C ARG A 12 3.205 -4.986 0.538 1.00 0.00 C ATOM 225 O ARG A 12 2.709 -6.109 0.641 1.00 0.00 O ATOM 226 CB ARG A 12 1.960 -2.794 0.717 1.00 0.00 C ATOM 227 CG ARG A 12 1.007 -3.350 -0.321 1.00 0.00 C ATOM 228 CD ARG A 12 -0.173 -2.423 -0.549 1.00 0.00 C ATOM 229 NE ARG A 12 -0.882 -2.127 0.694 1.00 0.00 N ATOM 230 CZ ARG A 12 -1.504 -3.045 1.431 1.00 0.00 C ATOM 231 NH1 ARG A 12 -1.538 -4.312 1.037 1.00 0.00 N ATOM 232 NH2 ARG A 12 -2.100 -2.693 2.562 1.00 0.00 N ATOM 0 H ARG A 12 4.110 -2.274 1.762 1.00 0.00 H new ATOM 0 HA ARG A 12 2.144 -4.293 2.244 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.389 -2.212 1.440 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.649 -2.106 0.227 1.00 0.00 H new ATOM 0 HG2 ARG A 12 1.539 -3.501 -1.260 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.646 -4.327 0.001 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.177 -1.493 -0.997 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.862 -2.880 -1.260 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.902 -1.159 1.016 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -1.086 -4.587 0.165 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -2.016 -5.010 1.606 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -2.082 -1.720 2.867 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.577 -3.395 3.127 1.00 0.00 H new ATOM 246 N ARG A 13 4.144 -4.691 -0.355 1.00 0.00 N ATOM 247 CA ARG A 13 4.657 -5.691 -1.286 1.00 0.00 C ATOM 248 C ARG A 13 5.868 -6.407 -0.696 1.00 0.00 C ATOM 249 O ARG A 13 5.727 -7.591 -0.323 1.00 0.00 O ATOM 250 CB ARG A 13 5.027 -5.046 -2.625 1.00 0.00 C ATOM 251 CG ARG A 13 3.878 -4.988 -3.623 1.00 0.00 C ATOM 252 CD ARG A 13 2.654 -4.295 -3.046 1.00 0.00 C ATOM 253 NE ARG A 13 1.543 -4.259 -3.995 1.00 0.00 N ATOM 254 CZ ARG A 13 0.920 -5.345 -4.447 1.00 0.00 C ATOM 255 NH1 ARG A 13 1.283 -6.550 -4.027 1.00 0.00 N ATOM 256 NH2 ARG A 13 -0.073 -5.224 -5.318 1.00 0.00 N ATOM 0 H ARG A 13 4.566 -3.768 -0.454 1.00 0.00 H new ATOM 0 HA ARG A 13 3.870 -6.424 -1.459 1.00 0.00 H new ATOM 0 HB2 ARG A 13 5.387 -4.034 -2.442 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.853 -5.602 -3.069 1.00 0.00 H new ATOM 0 HG2 ARG A 13 4.204 -4.461 -4.520 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.611 -6.000 -3.927 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.339 -4.812 -2.140 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.917 -3.277 -2.758 1.00 0.00 H new ATOM 0 HE ARG A 13 1.227 -3.349 -4.330 1.00 0.00 H new ATOM 0 HH11 ARG A 13 2.043 -6.648 -3.354 1.00 0.00 H new ATOM 0 HH12 ARG A 13 0.802 -7.378 -4.377 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.358 -4.299 -5.641 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -0.551 -6.055 -5.665 1.00 0.00 H new HETATM 270 N NH2 A 14 6.242 -6.131 0.548 1.00 0.00 N TER 273 NH2 A 14