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+ -179:sc= -0.416 (180deg=-0.418) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 5.576 -3.272 1.581 1.00 0.00 N ATOM 2 CA VAL A 1 5.691 -3.188 3.059 1.00 0.00 C ATOM 3 C VAL A 1 6.641 -2.065 3.473 1.00 0.00 C ATOM 4 O VAL A 1 6.380 -1.344 4.437 1.00 0.00 O ATOM 5 CB VAL A 1 6.183 -4.523 3.658 1.00 0.00 C ATOM 6 CG1 VAL A 1 7.550 -4.895 3.103 1.00 0.00 C ATOM 7 CG2 VAL A 1 6.217 -4.451 5.177 1.00 0.00 C ATOM 0 H1 VAL A 1 4.912 -4.031 1.327 1.00 0.00 H new ATOM 0 H2 VAL A 1 5.226 -2.367 1.208 1.00 0.00 H new ATOM 0 H3 VAL A 1 6.510 -3.477 1.171 1.00 0.00 H new ATOM 0 HA VAL A 1 4.695 -2.973 3.447 1.00 0.00 H new ATOM 0 HB VAL A 1 5.479 -5.304 3.370 1.00 0.00 H new ATOM 0 HG11 VAL A 1 7.875 -5.839 3.540 1.00 0.00 H new ATOM 0 HG12 VAL A 1 7.487 -4.999 2.020 1.00 0.00 H new ATOM 0 HG13 VAL A 1 8.268 -4.114 3.351 1.00 0.00 H new ATOM 0 HG21 VAL A 1 6.567 -5.402 5.579 1.00 0.00 H new ATOM 0 HG22 VAL A 1 6.893 -3.655 5.488 1.00 0.00 H new ATOM 0 HG23 VAL A 1 5.215 -4.244 5.554 1.00 0.00 H new ATOM 19 N ARG A 2 7.740 -1.923 2.736 1.00 0.00 N ATOM 20 CA ARG A 2 8.731 -0.887 3.020 1.00 0.00 C ATOM 21 C ARG A 2 8.104 0.502 2.940 1.00 0.00 C ATOM 22 O ARG A 2 8.324 1.346 3.809 1.00 0.00 O ATOM 23 CB ARG A 2 9.895 -0.988 2.031 1.00 0.00 C ATOM 24 CG ARG A 2 10.916 0.131 2.171 1.00 0.00 C ATOM 25 CD ARG A 2 12.001 0.028 1.110 1.00 0.00 C ATOM 26 NE ARG A 2 12.945 1.141 1.179 1.00 0.00 N ATOM 27 CZ ARG A 2 13.963 1.296 0.338 1.00 0.00 C ATOM 28 NH1 ARG A 2 14.168 0.412 -0.630 1.00 0.00 N ATOM 29 NH2 ARG A 2 14.778 2.335 0.462 1.00 0.00 N ATOM 0 H ARG A 2 7.967 -2.513 1.936 1.00 0.00 H new ATOM 0 HA ARG A 2 9.104 -1.041 4.033 1.00 0.00 H new ATOM 0 HB2 ARG A 2 10.397 -1.945 2.171 1.00 0.00 H new ATOM 0 HB3 ARG A 2 9.499 -0.981 1.016 1.00 0.00 H new ATOM 0 HG2 ARG A 2 10.415 1.095 2.089 1.00 0.00 H new ATOM 0 HG3 ARG A 2 11.369 0.091 3.162 1.00 0.00 H new ATOM 0 HD2 ARG A 2 12.540 -0.912 1.233 1.00 0.00 H new ATOM 0 HD3 ARG A 2 11.540 0.005 0.122 1.00 0.00 H new ATOM 0 HE ARG A 2 12.816 1.838 1.913 1.00 0.00 H new ATOM 0 HH11 ARG A 2 13.544 -0.389 -0.730 1.00 0.00 H new ATOM 0 HH12 ARG A 2 14.950 0.533 -1.274 1.00 0.00 H new ATOM 0 HH21 ARG A 2 14.625 3.018 1.204 1.00 0.00 H new ATOM 0 HH22 ARG A 2 15.558 2.451 -0.185 1.00 0.00 H new ATOM 43 N ARG A 3 7.323 0.726 1.890 1.00 0.00 N ATOM 44 CA ARG A 3 6.655 2.005 1.681 1.00 0.00 C ATOM 45 C ARG A 3 5.183 1.781 1.368 1.00 0.00 C ATOM 46 O ARG A 3 4.328 2.600 1.706 1.00 0.00 O ATOM 47 CB ARG A 3 7.323 2.775 0.540 1.00 0.00 C ATOM 48 CG ARG A 3 8.790 3.082 0.789 1.00 0.00 C ATOM 49 CD ARG A 3 9.417 3.804 -0.392 1.00 0.00 C ATOM 50 NE ARG A 3 8.767 5.085 -0.660 1.00 0.00 N ATOM 51 CZ ARG A 3 9.128 5.903 -1.644 1.00 0.00 C ATOM 52 NH1 ARG A 3 10.125 5.573 -2.455 1.00 0.00 N ATOM 53 NH2 ARG A 3 8.491 7.053 -1.820 1.00 0.00 N ATOM 0 H ARG A 3 7.136 0.033 1.165 1.00 0.00 H new ATOM 0 HA ARG A 3 6.737 2.594 2.594 1.00 0.00 H new ATOM 0 HB2 ARG A 3 7.233 2.196 -0.379 1.00 0.00 H new ATOM 0 HB3 ARG A 3 6.787 3.711 0.382 1.00 0.00 H new ATOM 0 HG2 ARG A 3 8.887 3.695 1.685 1.00 0.00 H new ATOM 0 HG3 ARG A 3 9.330 2.154 0.978 1.00 0.00 H new ATOM 0 HD2 ARG A 3 10.476 3.969 -0.195 1.00 0.00 H new ATOM 0 HD3 ARG A 3 9.353 3.173 -1.278 1.00 0.00 H new ATOM 0 HE ARG A 3 7.993 5.367 -0.059 1.00 0.00 H new ATOM 0 HH11 ARG A 3 10.617 4.689 -2.325 1.00 0.00 H new ATOM 0 HH12 ARG A 3 10.399 6.203 -3.209 1.00 0.00 H new ATOM 0 HH21 ARG A 3 7.723 7.311 -1.200 1.00 0.00 H new ATOM 0 HH22 ARG A 3 8.769 7.680 -2.575 1.00 0.00 H new ATOM 67 N PHE A 4 4.901 0.658 0.719 1.00 0.00 N ATOM 68 CA PHE A 4 3.539 0.299 0.351 1.00 0.00 C ATOM 69 C PHE A 4 3.454 -1.180 -0.016 1.00 0.00 C ATOM 70 O PHE A 4 4.367 -1.734 -0.627 1.00 0.00 O ATOM 71 CB PHE A 4 3.044 1.169 -0.806 1.00 0.00 C ATOM 72 CG PHE A 4 3.916 1.135 -2.034 1.00 0.00 C ATOM 73 CD1 PHE A 4 3.921 0.034 -2.876 1.00 0.00 C ATOM 74 CD2 PHE A 4 4.734 2.211 -2.342 1.00 0.00 C ATOM 75 CE1 PHE A 4 4.725 0.007 -4.001 1.00 0.00 C ATOM 76 CE2 PHE A 4 5.539 2.189 -3.465 1.00 0.00 C ATOM 77 CZ PHE A 4 5.535 1.086 -4.295 1.00 0.00 C ATOM 0 H PHE A 4 5.604 -0.024 0.435 1.00 0.00 H new ATOM 0 HA PHE A 4 2.895 0.477 1.212 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.039 0.848 -1.081 1.00 0.00 H new ATOM 0 HB3 PHE A 4 2.966 2.200 -0.460 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.290 -0.813 -2.651 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.742 3.077 -1.697 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.719 -0.857 -4.649 1.00 0.00 H new ATOM 0 HE2 PHE A 4 6.171 3.034 -3.693 1.00 0.00 H new ATOM 0 HZ PHE A 4 6.164 1.067 -5.173 1.00 0.00 H new ATOM 87 N PRO A 5 2.353 -1.839 0.368 1.00 0.00 N ATOM 88 CA PRO A 5 2.147 -3.256 0.088 1.00 0.00 C ATOM 89 C PRO A 5 1.752 -3.505 -1.367 1.00 0.00 C ATOM 90 O PRO A 5 2.607 -3.541 -2.253 1.00 0.00 O ATOM 91 CB PRO A 5 1.022 -3.649 1.049 1.00 0.00 C ATOM 92 CG PRO A 5 0.266 -2.390 1.308 1.00 0.00 C ATOM 93 CD PRO A 5 1.225 -1.246 1.108 1.00 0.00 C ATOM 0 HA PRO A 5 3.054 -3.843 0.229 1.00 0.00 H new ATOM 0 HB2 PRO A 5 0.378 -4.411 0.610 1.00 0.00 H new ATOM 0 HB3 PRO A 5 1.422 -4.064 1.974 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.582 -2.304 0.629 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.135 -2.383 2.322 1.00 0.00 H new ATOM 0 HD2 PRO A 5 0.764 -0.434 0.546 1.00 0.00 H new ATOM 0 HD3 PRO A 5 1.550 -0.829 2.061 1.00 0.00 H new ATOM 101 N TRP A 6 0.457 -3.680 -1.604 1.00 0.00 N ATOM 102 CA TRP A 6 -0.062 -3.932 -2.943 1.00 0.00 C ATOM 103 C TRP A 6 -1.585 -3.953 -2.908 1.00 0.00 C ATOM 104 O TRP A 6 -2.254 -3.481 -3.828 1.00 0.00 O ATOM 105 CB TRP A 6 0.481 -5.261 -3.473 1.00 0.00 C ATOM 106 CG TRP A 6 0.208 -6.417 -2.559 1.00 0.00 C ATOM 107 CD1 TRP A 6 0.848 -6.702 -1.387 1.00 0.00 C ATOM 108 CD2 TRP A 6 -0.764 -7.452 -2.748 1.00 0.00 C ATOM 109 NE1 TRP A 6 0.325 -7.843 -0.829 1.00 0.00 N ATOM 110 CE2 TRP A 6 -0.664 -8.324 -1.647 1.00 0.00 C ATOM 111 CE3 TRP A 6 -1.712 -7.723 -3.739 1.00 0.00 C ATOM 112 CZ2 TRP A 6 -1.476 -9.447 -1.512 1.00 0.00 C ATOM 113 CZ3 TRP A 6 -2.516 -8.838 -3.603 1.00 0.00 C ATOM 114 CH2 TRP A 6 -2.394 -9.688 -2.497 1.00 0.00 C ATOM 0 H TRP A 6 -0.259 -3.651 -0.878 1.00 0.00 H new ATOM 0 HA TRP A 6 0.263 -3.135 -3.612 1.00 0.00 H new ATOM 0 HB2 TRP A 6 0.038 -5.464 -4.448 1.00 0.00 H new ATOM 0 HB3 TRP A 6 1.557 -5.172 -3.624 1.00 0.00 H new ATOM 0 HD1 TRP A 6 1.649 -6.116 -0.961 1.00 0.00 H new ATOM 0 HE1 TRP A 6 0.624 -8.264 0.051 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -1.814 -7.073 -4.595 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -1.384 -10.104 -0.660 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -3.251 -9.058 -4.363 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -3.038 -10.552 -2.420 1.00 0.00 H new ATOM 125 N TRP A 7 -2.113 -4.500 -1.822 1.00 0.00 N ATOM 126 CA TRP A 7 -3.551 -4.597 -1.611 1.00 0.00 C ATOM 127 C TRP A 7 -4.139 -3.257 -1.180 1.00 0.00 C ATOM 128 O TRP A 7 -5.326 -3.174 -0.863 1.00 0.00 O ATOM 129 CB TRP A 7 -3.830 -5.647 -0.528 1.00 0.00 C ATOM 130 CG TRP A 7 -3.016 -5.438 0.724 1.00 0.00 C ATOM 131 CD1 TRP A 7 -2.028 -6.253 1.199 1.00 0.00 C ATOM 132 CD2 TRP A 7 -3.120 -4.352 1.662 1.00 0.00 C ATOM 133 NE1 TRP A 7 -1.501 -5.733 2.359 1.00 0.00 N ATOM 134 CE2 TRP A 7 -2.157 -4.570 2.664 1.00 0.00 C ATOM 135 CE3 TRP A 7 -3.928 -3.215 1.749 1.00 0.00 C ATOM 136 CZ2 TRP A 7 -1.984 -3.691 3.733 1.00 0.00 C ATOM 137 CZ3 TRP A 7 -3.755 -2.349 2.806 1.00 0.00 C ATOM 138 CH2 TRP A 7 -2.791 -2.588 3.784 1.00 0.00 C ATOM 0 H TRP A 7 -1.556 -4.890 -1.061 1.00 0.00 H new ATOM 0 HA TRP A 7 -4.019 -4.887 -2.552 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -4.890 -5.624 -0.273 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -3.620 -6.638 -0.929 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -1.707 -7.172 0.732 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -0.744 -6.147 2.904 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -4.678 -3.018 0.997 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -1.239 -3.875 4.493 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -4.377 -1.469 2.878 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -2.679 -1.888 4.599 1.00 0.00 H new ATOM 149 N TRP A 8 -3.298 -2.223 -1.124 1.00 0.00 N ATOM 150 CA TRP A 8 -3.731 -0.905 -0.677 1.00 0.00 C ATOM 151 C TRP A 8 -4.825 -0.309 -1.554 1.00 0.00 C ATOM 152 O TRP A 8 -5.728 -1.014 -2.004 1.00 0.00 O ATOM 153 CB TRP A 8 -2.529 0.039 -0.564 1.00 0.00 C ATOM 154 CG TRP A 8 -1.549 -0.069 -1.689 1.00 0.00 C ATOM 155 CD1 TRP A 8 -0.417 -0.822 -1.695 1.00 0.00 C ATOM 156 CD2 TRP A 8 -1.578 0.621 -2.946 1.00 0.00 C ATOM 157 NE1 TRP A 8 0.253 -0.665 -2.882 1.00 0.00 N ATOM 158 CE2 TRP A 8 -0.438 0.218 -3.666 1.00 0.00 C ATOM 159 CE3 TRP A 8 -2.457 1.532 -3.538 1.00 0.00 C ATOM 160 CZ2 TRP A 8 -0.154 0.695 -4.941 1.00 0.00 C ATOM 161 CZ3 TRP A 8 -2.173 2.006 -4.803 1.00 0.00 C ATOM 162 CH2 TRP A 8 -1.030 1.587 -5.492 1.00 0.00 C ATOM 0 H TRP A 8 -2.313 -2.276 -1.384 1.00 0.00 H new ATOM 0 HA TRP A 8 -4.175 -1.031 0.311 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -2.892 1.065 -0.512 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -2.011 -0.163 0.373 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.092 -1.454 -0.882 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.124 -1.130 -3.138 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -3.343 1.860 -3.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.727 0.372 -5.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -2.845 2.712 -5.269 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.836 1.977 -6.480 1.00 0.00 H new ATOM 173 N ALA A 9 -4.764 1.001 -1.750 1.00 0.00 N ATOM 174 CA ALA A 9 -5.773 1.705 -2.524 1.00 0.00 C ATOM 175 C ALA A 9 -7.094 1.676 -1.764 1.00 0.00 C ATOM 176 O ALA A 9 -8.172 1.563 -2.348 1.00 0.00 O ATOM 177 CB ALA A 9 -5.926 1.096 -3.914 1.00 0.00 C ATOM 0 H ALA A 9 -4.023 1.598 -1.382 1.00 0.00 H new ATOM 0 HA ALA A 9 -5.460 2.740 -2.661 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -6.688 1.644 -4.469 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -4.976 1.157 -4.445 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -6.224 0.052 -3.823 1.00 0.00 H new ATOM 183 N PHE A 10 -6.977 1.774 -0.441 1.00 0.00 N ATOM 184 CA PHE A 10 -8.124 1.758 0.460 1.00 0.00 C ATOM 185 C PHE A 10 -7.831 2.626 1.678 1.00 0.00 C ATOM 186 O PHE A 10 -8.573 3.558 1.988 1.00 0.00 O ATOM 187 CB PHE A 10 -8.420 0.322 0.906 1.00 0.00 C ATOM 188 CG PHE A 10 -9.542 0.210 1.904 1.00 0.00 C ATOM 189 CD1 PHE A 10 -10.749 0.861 1.695 1.00 0.00 C ATOM 190 CD2 PHE A 10 -9.385 -0.549 3.052 1.00 0.00 C ATOM 191 CE1 PHE A 10 -11.776 0.756 2.613 1.00 0.00 C ATOM 192 CE2 PHE A 10 -10.409 -0.658 3.974 1.00 0.00 C ATOM 193 CZ PHE A 10 -11.606 -0.004 3.754 1.00 0.00 C ATOM 0 H PHE A 10 -6.080 1.867 0.036 1.00 0.00 H new ATOM 0 HA PHE A 10 -8.994 2.153 -0.064 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -8.666 -0.277 0.029 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -7.517 -0.106 1.341 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -10.887 1.457 0.805 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -8.451 -1.062 3.229 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -12.711 1.268 2.439 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -10.274 -1.253 4.865 1.00 0.00 H new ATOM 0 HZ PHE A 10 -12.408 -0.087 4.473 1.00 0.00 H new ATOM 203 N LEU A 11 -6.724 2.320 2.346 1.00 0.00 N ATOM 204 CA LEU A 11 -6.295 3.074 3.515 1.00 0.00 C ATOM 205 C LEU A 11 -5.032 3.855 3.183 1.00 0.00 C ATOM 206 O LEU A 11 -4.819 4.964 3.674 1.00 0.00 O ATOM 207 CB LEU A 11 -6.067 2.139 4.714 1.00 0.00 C ATOM 208 CG LEU A 11 -5.082 0.982 4.494 1.00 0.00 C ATOM 209 CD1 LEU A 11 -3.642 1.462 4.601 1.00 0.00 C ATOM 210 CD2 LEU A 11 -5.346 -0.133 5.494 1.00 0.00 C ATOM 0 H LEU A 11 -6.105 1.549 2.094 1.00 0.00 H new ATOM 0 HA LEU A 11 -7.080 3.778 3.792 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.711 2.738 5.552 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -7.029 1.719 5.008 1.00 0.00 H new ATOM 0 HG LEU A 11 -5.234 0.594 3.487 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -2.966 0.622 4.441 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -3.456 2.226 3.846 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -3.471 1.882 5.592 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.640 -0.947 5.326 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -5.224 0.250 6.507 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -6.363 -0.503 5.366 1.00 0.00 H new ATOM 222 N ARG A 12 -4.205 3.261 2.330 1.00 0.00 N ATOM 223 CA ARG A 12 -2.961 3.878 1.898 1.00 0.00 C ATOM 224 C ARG A 12 -3.234 5.090 1.009 1.00 0.00 C ATOM 225 O ARG A 12 -2.803 6.203 1.312 1.00 0.00 O ATOM 226 CB ARG A 12 -2.103 2.838 1.169 1.00 0.00 C ATOM 227 CG ARG A 12 -1.050 3.425 0.251 1.00 0.00 C ATOM 228 CD ARG A 12 0.099 2.458 0.029 1.00 0.00 C ATOM 229 NE ARG A 12 0.734 2.064 1.285 1.00 0.00 N ATOM 230 CZ ARG A 12 1.372 2.911 2.090 1.00 0.00 C ATOM 231 NH1 ARG A 12 1.480 4.192 1.762 1.00 0.00 N ATOM 232 NH2 ARG A 12 1.906 2.475 3.223 1.00 0.00 N ATOM 0 H ARG A 12 -4.379 2.343 1.921 1.00 0.00 H new ATOM 0 HA ARG A 12 -2.416 4.234 2.772 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -1.611 2.208 1.910 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -2.757 2.191 0.584 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -1.503 3.679 -0.707 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -0.669 4.352 0.679 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -0.269 1.570 -0.485 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.841 2.920 -0.623 1.00 0.00 H new ATOM 0 HE ARG A 12 0.686 1.083 1.561 1.00 0.00 H new ATOM 0 HH11 ARG A 12 1.073 4.531 0.890 1.00 0.00 H new ATOM 0 HH12 ARG A 12 1.970 4.838 2.382 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.828 1.490 3.478 1.00 0.00 H new ATOM 0 HH22 ARG A 12 2.395 3.124 3.839 1.00 0.00 H new ATOM 246 N ARG A 13 -3.966 4.871 -0.079 1.00 0.00 N ATOM 247 CA ARG A 13 -4.311 5.950 -0.999 1.00 0.00 C ATOM 248 C ARG A 13 -5.565 6.681 -0.533 1.00 0.00 C ATOM 249 O ARG A 13 -6.647 6.057 -0.542 1.00 0.00 O ATOM 250 CB ARG A 13 -4.513 5.408 -2.417 1.00 0.00 C ATOM 251 CG ARG A 13 -3.269 5.489 -3.291 1.00 0.00 C ATOM 252 CD ARG A 13 -2.075 4.794 -2.654 1.00 0.00 C ATOM 253 NE ARG A 13 -0.880 4.879 -3.492 1.00 0.00 N ATOM 254 CZ ARG A 13 -0.275 6.023 -3.805 1.00 0.00 C ATOM 255 NH1 ARG A 13 -0.740 7.174 -3.339 1.00 0.00 N ATOM 256 NH2 ARG A 13 0.799 6.014 -4.583 1.00 0.00 N ATOM 0 H ARG A 13 -4.332 3.957 -0.345 1.00 0.00 H new ATOM 0 HA ARG A 13 -3.482 6.658 -1.011 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -4.835 4.368 -2.356 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -5.319 5.964 -2.897 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -3.477 5.035 -4.260 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -3.023 6.535 -3.475 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -1.869 5.244 -1.683 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -2.318 3.747 -2.475 1.00 0.00 H new ATOM 0 HE ARG A 13 -0.487 4.012 -3.858 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -1.564 7.185 -2.738 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -0.273 8.048 -3.581 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.162 5.131 -4.942 1.00 0.00 H new ATOM 0 HH22 ARG A 13 1.262 6.890 -4.823 1.00 0.00 H new HETATM 270 N NH2 A 14 -6.045 6.437 0.681 1.00 0.00 N TER 273 NH2 A 14