USER MOD reduce.3.24.130724 H: found=0, std=0, add=136, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 136 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 Single : A 1 VAL N :NH3+ 137:sc= 0.026 (180deg=-0.212) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 17.782 -4.458 -6.465 1.00 0.00 N ATOM 2 CA VAL A 1 17.969 -3.078 -5.948 1.00 0.00 C ATOM 3 C VAL A 1 18.818 -3.077 -4.683 1.00 0.00 C ATOM 4 O VAL A 1 18.853 -4.062 -3.945 1.00 0.00 O ATOM 5 CB VAL A 1 16.613 -2.406 -5.650 1.00 0.00 C ATOM 6 CG1 VAL A 1 15.845 -3.191 -4.596 1.00 0.00 C ATOM 7 CG2 VAL A 1 16.813 -0.962 -5.212 1.00 0.00 C ATOM 0 H1 VAL A 1 16.792 -4.588 -6.757 1.00 0.00 H new ATOM 0 H2 VAL A 1 18.407 -4.610 -7.282 1.00 0.00 H new ATOM 0 H3 VAL A 1 18.016 -5.143 -5.718 1.00 0.00 H new ATOM 0 HA VAL A 1 18.484 -2.512 -6.724 1.00 0.00 H new ATOM 0 HB VAL A 1 16.024 -2.403 -6.567 1.00 0.00 H new ATOM 0 HG11 VAL A 1 14.892 -2.701 -4.400 1.00 0.00 H new ATOM 0 HG12 VAL A 1 15.665 -4.204 -4.956 1.00 0.00 H new ATOM 0 HG13 VAL A 1 16.428 -3.232 -3.676 1.00 0.00 H new ATOM 0 HG21 VAL A 1 15.844 -0.507 -5.007 1.00 0.00 H new ATOM 0 HG22 VAL A 1 17.424 -0.937 -4.310 1.00 0.00 H new ATOM 0 HG23 VAL A 1 17.314 -0.407 -6.005 1.00 0.00 H new ATOM 19 N ARG A 2 19.503 -1.965 -4.437 1.00 0.00 N ATOM 20 CA ARG A 2 20.354 -1.835 -3.260 1.00 0.00 C ATOM 21 C ARG A 2 19.846 -0.733 -2.338 1.00 0.00 C ATOM 22 O ARG A 2 18.930 0.010 -2.688 1.00 0.00 O ATOM 23 CB ARG A 2 21.797 -1.542 -3.677 1.00 0.00 C ATOM 24 CG ARG A 2 22.836 -2.202 -2.785 1.00 0.00 C ATOM 25 CD ARG A 2 24.207 -2.214 -3.442 1.00 0.00 C ATOM 26 NE ARG A 2 24.777 -0.872 -3.546 1.00 0.00 N ATOM 27 CZ ARG A 2 25.840 -0.575 -4.289 1.00 0.00 C ATOM 28 NH1 ARG A 2 26.453 -1.518 -4.993 1.00 0.00 N ATOM 29 NH2 ARG A 2 26.294 0.671 -4.327 1.00 0.00 N ATOM 0 H ARG A 2 19.485 -1.141 -5.037 1.00 0.00 H new ATOM 0 HA ARG A 2 20.324 -2.780 -2.717 1.00 0.00 H new ATOM 0 HB2 ARG A 2 21.945 -1.879 -4.703 1.00 0.00 H new ATOM 0 HB3 ARG A 2 21.956 -0.464 -3.669 1.00 0.00 H new ATOM 0 HG2 ARG A 2 22.891 -1.671 -1.835 1.00 0.00 H new ATOM 0 HG3 ARG A 2 22.529 -3.224 -2.562 1.00 0.00 H new ATOM 0 HD2 ARG A 2 24.879 -2.850 -2.866 1.00 0.00 H new ATOM 0 HD3 ARG A 2 24.128 -2.652 -4.437 1.00 0.00 H new ATOM 0 HE ARG A 2 24.334 -0.120 -3.018 1.00 0.00 H new ATOM 0 HH11 ARG A 2 26.110 -2.478 -4.967 1.00 0.00 H new ATOM 0 HH12 ARG A 2 27.267 -1.283 -5.560 1.00 0.00 H new ATOM 0 HH21 ARG A 2 25.828 1.400 -3.787 1.00 0.00 H new ATOM 0 HH22 ARG A 2 27.109 0.900 -4.896 1.00 0.00 H new ATOM 43 N ARG A 3 20.446 -0.640 -1.158 1.00 0.00 N ATOM 44 CA ARG A 3 20.055 0.365 -0.180 1.00 0.00 C ATOM 45 C ARG A 3 21.277 1.116 0.342 1.00 0.00 C ATOM 46 O ARG A 3 21.696 0.918 1.481 1.00 0.00 O ATOM 47 CB ARG A 3 19.308 -0.295 0.978 1.00 0.00 C ATOM 48 CG ARG A 3 18.850 0.684 2.048 1.00 0.00 C ATOM 49 CD ARG A 3 18.506 -0.029 3.345 1.00 0.00 C ATOM 50 NE ARG A 3 17.166 -0.610 3.310 1.00 0.00 N ATOM 51 CZ ARG A 3 16.487 -0.975 4.396 1.00 0.00 C ATOM 52 NH1 ARG A 3 17.018 -0.819 5.602 1.00 0.00 N ATOM 53 NH2 ARG A 3 15.274 -1.497 4.275 1.00 0.00 N ATOM 0 H ARG A 3 21.206 -1.249 -0.856 1.00 0.00 H new ATOM 0 HA ARG A 3 19.395 1.082 -0.667 1.00 0.00 H new ATOM 0 HB2 ARG A 3 18.439 -0.822 0.585 1.00 0.00 H new ATOM 0 HB3 ARG A 3 19.954 -1.044 1.436 1.00 0.00 H new ATOM 0 HG2 ARG A 3 19.635 1.417 2.232 1.00 0.00 H new ATOM 0 HG3 ARG A 3 17.979 1.233 1.691 1.00 0.00 H new ATOM 0 HD2 ARG A 3 19.238 -0.815 3.532 1.00 0.00 H new ATOM 0 HD3 ARG A 3 18.575 0.674 4.175 1.00 0.00 H new ATOM 0 HE ARG A 3 16.725 -0.744 2.400 1.00 0.00 H new ATOM 0 HH11 ARG A 3 17.951 -0.418 5.701 1.00 0.00 H new ATOM 0 HH12 ARG A 3 16.494 -1.100 6.430 1.00 0.00 H new ATOM 0 HH21 ARG A 3 14.861 -1.619 3.350 1.00 0.00 H new ATOM 0 HH22 ARG A 3 14.754 -1.777 5.107 1.00 0.00 H new ATOM 67 N PHE A 4 21.836 1.979 -0.508 1.00 0.00 N ATOM 68 CA PHE A 4 23.004 2.775 -0.185 1.00 0.00 C ATOM 69 C PHE A 4 23.042 3.200 1.282 1.00 0.00 C ATOM 70 O PHE A 4 22.494 4.234 1.662 1.00 0.00 O ATOM 71 CB PHE A 4 23.015 4.001 -1.093 1.00 0.00 C ATOM 72 CG PHE A 4 21.972 5.030 -0.741 1.00 0.00 C ATOM 73 CD1 PHE A 4 20.637 4.674 -0.626 1.00 0.00 C ATOM 74 CD2 PHE A 4 22.329 6.351 -0.524 1.00 0.00 C ATOM 75 CE1 PHE A 4 19.679 5.617 -0.303 1.00 0.00 C ATOM 76 CE2 PHE A 4 21.375 7.297 -0.199 1.00 0.00 C ATOM 77 CZ PHE A 4 20.049 6.930 -0.090 1.00 0.00 C ATOM 0 H PHE A 4 21.480 2.141 -1.450 1.00 0.00 H new ATOM 0 HA PHE A 4 23.892 2.164 -0.348 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.000 4.466 -1.048 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.861 3.680 -2.123 1.00 0.00 H new ATOM 0 HD1 PHE A 4 20.342 3.648 -0.791 1.00 0.00 H new ATOM 0 HD2 PHE A 4 23.365 6.645 -0.610 1.00 0.00 H new ATOM 0 HE1 PHE A 4 18.642 5.327 -0.217 1.00 0.00 H new ATOM 0 HE2 PHE A 4 21.667 8.323 -0.030 1.00 0.00 H new ATOM 0 HZ PHE A 4 19.302 7.669 0.161 1.00 0.00 H new ATOM 87 N PRO A 5 23.706 2.403 2.128 1.00 0.00 N ATOM 88 CA PRO A 5 23.826 2.703 3.551 1.00 0.00 C ATOM 89 C PRO A 5 24.846 3.792 3.824 1.00 0.00 C ATOM 90 O PRO A 5 25.960 3.733 3.328 1.00 0.00 O ATOM 91 CB PRO A 5 24.302 1.386 4.138 1.00 0.00 C ATOM 92 CG PRO A 5 25.076 0.740 3.043 1.00 0.00 C ATOM 93 CD PRO A 5 24.398 1.148 1.764 1.00 0.00 C ATOM 0 HA PRO A 5 22.891 3.070 3.974 1.00 0.00 H new ATOM 0 HB2 PRO A 5 24.923 1.547 5.019 1.00 0.00 H new ATOM 0 HB3 PRO A 5 23.462 0.765 4.449 1.00 0.00 H new ATOM 0 HG2 PRO A 5 26.116 1.066 3.055 1.00 0.00 H new ATOM 0 HG3 PRO A 5 25.080 -0.344 3.154 1.00 0.00 H new ATOM 0 HD2 PRO A 5 25.117 1.304 0.960 1.00 0.00 H new ATOM 0 HD3 PRO A 5 23.697 0.387 1.421 1.00 0.00 H new ATOM 101 N TRP A 6 24.456 4.786 4.610 1.00 0.00 N ATOM 102 CA TRP A 6 25.333 5.906 4.954 1.00 0.00 C ATOM 103 C TRP A 6 26.804 5.488 5.098 1.00 0.00 C ATOM 104 O TRP A 6 27.704 6.294 4.860 1.00 0.00 O ATOM 105 CB TRP A 6 24.857 6.558 6.253 1.00 0.00 C ATOM 106 CG TRP A 6 24.657 5.580 7.371 1.00 0.00 C ATOM 107 CD1 TRP A 6 23.758 4.553 7.413 1.00 0.00 C ATOM 108 CD2 TRP A 6 25.373 5.538 8.611 1.00 0.00 C ATOM 109 NE1 TRP A 6 23.872 3.876 8.604 1.00 0.00 N ATOM 110 CE2 TRP A 6 24.857 4.461 9.355 1.00 0.00 C ATOM 111 CE3 TRP A 6 26.402 6.307 9.162 1.00 0.00 C ATOM 112 CZ2 TRP A 6 25.335 4.134 10.622 1.00 0.00 C ATOM 113 CZ3 TRP A 6 26.875 5.982 10.420 1.00 0.00 C ATOM 114 CH2 TRP A 6 26.343 4.904 11.137 1.00 0.00 C ATOM 0 H TRP A 6 23.527 4.843 5.028 1.00 0.00 H new ATOM 0 HA TRP A 6 25.278 6.617 4.130 1.00 0.00 H new ATOM 0 HB2 TRP A 6 25.585 7.308 6.562 1.00 0.00 H new ATOM 0 HB3 TRP A 6 23.919 7.081 6.066 1.00 0.00 H new ATOM 0 HD1 TRP A 6 23.060 4.309 6.626 1.00 0.00 H new ATOM 0 HE1 TRP A 6 23.314 3.069 8.883 1.00 0.00 H new ATOM 0 HE3 TRP A 6 26.820 7.139 8.615 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 24.925 3.303 11.178 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 27.669 6.570 10.857 1.00 0.00 H new ATOM 0 HH2 TRP A 6 26.736 4.675 12.117 1.00 0.00 H new ATOM 125 N TRP A 7 27.049 4.239 5.495 1.00 0.00 N ATOM 126 CA TRP A 7 28.417 3.755 5.673 1.00 0.00 C ATOM 127 C TRP A 7 28.920 2.950 4.469 1.00 0.00 C ATOM 128 O TRP A 7 29.950 2.282 4.551 1.00 0.00 O ATOM 129 CB TRP A 7 28.514 2.910 6.943 1.00 0.00 C ATOM 130 CG TRP A 7 27.621 1.707 6.925 1.00 0.00 C ATOM 131 CD1 TRP A 7 26.316 1.649 7.321 1.00 0.00 C ATOM 132 CD2 TRP A 7 27.968 0.387 6.490 1.00 0.00 C ATOM 133 NE1 TRP A 7 25.830 0.373 7.159 1.00 0.00 N ATOM 134 CE2 TRP A 7 26.825 -0.420 6.650 1.00 0.00 C ATOM 135 CE3 TRP A 7 29.134 -0.192 5.979 1.00 0.00 C ATOM 136 CZ2 TRP A 7 26.814 -1.771 6.317 1.00 0.00 C ATOM 137 CZ3 TRP A 7 29.122 -1.534 5.649 1.00 0.00 C ATOM 138 CH2 TRP A 7 27.969 -2.311 5.820 1.00 0.00 C ATOM 0 H TRP A 7 26.325 3.550 5.698 1.00 0.00 H new ATOM 0 HA TRP A 7 29.057 4.633 5.763 1.00 0.00 H new ATOM 0 HB2 TRP A 7 29.546 2.586 7.077 1.00 0.00 H new ATOM 0 HB3 TRP A 7 28.260 3.529 7.803 1.00 0.00 H new ATOM 0 HD1 TRP A 7 25.748 2.483 7.705 1.00 0.00 H new ATOM 0 HE1 TRP A 7 24.883 0.067 7.381 1.00 0.00 H new ATOM 0 HE3 TRP A 7 30.028 0.399 5.845 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 25.926 -2.372 6.446 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 30.017 -1.991 5.253 1.00 0.00 H new ATOM 0 HH2 TRP A 7 27.992 -3.358 5.554 1.00 0.00 H new ATOM 149 N TRP A 8 28.200 3.025 3.355 1.00 0.00 N ATOM 150 CA TRP A 8 28.574 2.319 2.142 1.00 0.00 C ATOM 151 C TRP A 8 29.708 3.020 1.381 1.00 0.00 C ATOM 152 O TRP A 8 30.485 2.359 0.701 1.00 0.00 O ATOM 153 CB TRP A 8 27.355 2.195 1.223 1.00 0.00 C ATOM 154 CG TRP A 8 27.385 3.146 0.069 1.00 0.00 C ATOM 155 CD1 TRP A 8 28.026 2.987 -1.113 1.00 0.00 C ATOM 156 CD2 TRP A 8 26.764 4.417 0.018 1.00 0.00 C ATOM 157 NE1 TRP A 8 27.815 4.081 -1.920 1.00 0.00 N ATOM 158 CE2 TRP A 8 27.039 4.978 -1.238 1.00 0.00 C ATOM 159 CE3 TRP A 8 25.994 5.121 0.921 1.00 0.00 C ATOM 160 CZ2 TRP A 8 26.558 6.231 -1.611 1.00 0.00 C ATOM 161 CZ3 TRP A 8 25.517 6.361 0.564 1.00 0.00 C ATOM 162 CH2 TRP A 8 25.797 6.909 -0.697 1.00 0.00 C ATOM 0 H TRP A 8 27.345 3.575 3.271 1.00 0.00 H new ATOM 0 HA TRP A 8 28.934 1.334 2.440 1.00 0.00 H new ATOM 0 HB2 TRP A 8 27.297 1.175 0.843 1.00 0.00 H new ATOM 0 HB3 TRP A 8 26.450 2.370 1.805 1.00 0.00 H new ATOM 0 HD1 TRP A 8 28.618 2.125 -1.383 1.00 0.00 H new ATOM 0 HE1 TRP A 8 28.176 4.203 -2.866 1.00 0.00 H new ATOM 0 HE3 TRP A 8 25.769 4.705 1.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 26.777 6.651 -2.582 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 24.917 6.922 1.266 1.00 0.00 H new ATOM 0 HH2 TRP A 8 25.405 7.883 -0.951 1.00 0.00 H new ATOM 173 N PRO A 9 29.800 4.370 1.431 1.00 0.00 N ATOM 174 CA PRO A 9 30.810 5.118 0.705 1.00 0.00 C ATOM 175 C PRO A 9 32.188 4.453 0.708 1.00 0.00 C ATOM 176 O PRO A 9 32.908 4.493 -0.289 1.00 0.00 O ATOM 177 CB PRO A 9 30.873 6.472 1.436 1.00 0.00 C ATOM 178 CG PRO A 9 29.867 6.386 2.537 1.00 0.00 C ATOM 179 CD PRO A 9 28.923 5.293 2.143 1.00 0.00 C ATOM 0 HA PRO A 9 30.545 5.194 -0.349 1.00 0.00 H new ATOM 0 HB2 PRO A 9 31.872 6.657 1.832 1.00 0.00 H new ATOM 0 HB3 PRO A 9 30.642 7.294 0.758 1.00 0.00 H new ATOM 0 HG2 PRO A 9 30.348 6.163 3.489 1.00 0.00 H new ATOM 0 HG3 PRO A 9 29.340 7.332 2.660 1.00 0.00 H new ATOM 0 HD2 PRO A 9 28.457 4.825 3.010 1.00 0.00 H new ATOM 0 HD3 PRO A 9 28.117 5.660 1.508 1.00 0.00 H new ATOM 187 N PHE A 10 32.554 3.859 1.843 1.00 0.00 N ATOM 188 CA PHE A 10 33.854 3.206 1.986 1.00 0.00 C ATOM 189 C PHE A 10 33.851 1.783 1.423 1.00 0.00 C ATOM 190 O PHE A 10 34.839 1.059 1.554 1.00 0.00 O ATOM 191 CB PHE A 10 34.270 3.175 3.458 1.00 0.00 C ATOM 192 CG PHE A 10 33.988 4.458 4.190 1.00 0.00 C ATOM 193 CD1 PHE A 10 34.847 5.538 4.077 1.00 0.00 C ATOM 194 CD2 PHE A 10 32.864 4.579 4.991 1.00 0.00 C ATOM 195 CE1 PHE A 10 34.590 6.718 4.748 1.00 0.00 C ATOM 196 CE2 PHE A 10 32.602 5.757 5.665 1.00 0.00 C ATOM 197 CZ PHE A 10 33.465 6.828 5.543 1.00 0.00 C ATOM 0 H PHE A 10 31.968 3.817 2.677 1.00 0.00 H new ATOM 0 HA PHE A 10 34.572 3.790 1.410 1.00 0.00 H new ATOM 0 HB2 PHE A 10 33.748 2.359 3.957 1.00 0.00 H new ATOM 0 HB3 PHE A 10 35.336 2.957 3.521 1.00 0.00 H new ATOM 0 HD1 PHE A 10 35.728 5.457 3.457 1.00 0.00 H new ATOM 0 HD2 PHE A 10 32.186 3.744 5.090 1.00 0.00 H new ATOM 0 HE1 PHE A 10 35.268 7.553 4.651 1.00 0.00 H new ATOM 0 HE2 PHE A 10 31.723 5.840 6.287 1.00 0.00 H new ATOM 0 HZ PHE A 10 33.261 7.750 6.068 1.00 0.00 H new ATOM 207 N LEU A 11 32.747 1.383 0.801 1.00 0.00 N ATOM 208 CA LEU A 11 32.636 0.043 0.225 1.00 0.00 C ATOM 209 C LEU A 11 33.811 -0.254 -0.704 1.00 0.00 C ATOM 210 O LEU A 11 34.702 0.576 -0.881 1.00 0.00 O ATOM 211 CB LEU A 11 31.317 -0.100 -0.544 1.00 0.00 C ATOM 212 CG LEU A 11 30.169 -0.772 0.222 1.00 0.00 C ATOM 213 CD1 LEU A 11 30.257 -0.482 1.714 1.00 0.00 C ATOM 214 CD2 LEU A 11 28.831 -0.306 -0.328 1.00 0.00 C ATOM 0 H LEU A 11 31.917 1.964 0.682 1.00 0.00 H new ATOM 0 HA LEU A 11 32.653 -0.676 1.044 1.00 0.00 H new ATOM 0 HB2 LEU A 11 30.990 0.892 -0.855 1.00 0.00 H new ATOM 0 HB3 LEU A 11 31.507 -0.672 -1.452 1.00 0.00 H new ATOM 0 HG LEU A 11 30.255 -1.850 0.085 1.00 0.00 H new ATOM 0 HD11 LEU A 11 29.430 -0.971 2.229 1.00 0.00 H new ATOM 0 HD12 LEU A 11 31.202 -0.861 2.103 1.00 0.00 H new ATOM 0 HD13 LEU A 11 30.201 0.594 1.879 1.00 0.00 H new ATOM 0 HD21 LEU A 11 28.023 -0.789 0.222 1.00 0.00 H new ATOM 0 HD22 LEU A 11 28.749 0.775 -0.218 1.00 0.00 H new ATOM 0 HD23 LEU A 11 28.759 -0.570 -1.383 1.00 0.00 H new ATOM 226 N ARG A 12 33.803 -1.445 -1.295 1.00 0.00 N ATOM 227 CA ARG A 12 34.867 -1.852 -2.206 1.00 0.00 C ATOM 228 C ARG A 12 34.304 -2.658 -3.373 1.00 0.00 C ATOM 229 O ARG A 12 33.552 -3.612 -3.176 1.00 0.00 O ATOM 230 CB ARG A 12 35.919 -2.677 -1.458 1.00 0.00 C ATOM 231 CG ARG A 12 37.325 -2.112 -1.571 1.00 0.00 C ATOM 232 CD ARG A 12 37.978 -2.498 -2.889 1.00 0.00 C ATOM 233 NE ARG A 12 39.355 -2.949 -2.706 1.00 0.00 N ATOM 234 CZ ARG A 12 39.687 -4.167 -2.284 1.00 0.00 C ATOM 235 NH1 ARG A 12 38.745 -5.057 -1.999 1.00 0.00 N ATOM 236 NH2 ARG A 12 40.964 -4.496 -2.144 1.00 0.00 N ATOM 0 H ARG A 12 33.073 -2.144 -1.160 1.00 0.00 H new ATOM 0 HA ARG A 12 35.337 -0.952 -2.603 1.00 0.00 H new ATOM 0 HB2 ARG A 12 35.643 -2.735 -0.405 1.00 0.00 H new ATOM 0 HB3 ARG A 12 35.913 -3.696 -1.845 1.00 0.00 H new ATOM 0 HG2 ARG A 12 37.289 -1.026 -1.486 1.00 0.00 H new ATOM 0 HG3 ARG A 12 37.932 -2.477 -0.743 1.00 0.00 H new ATOM 0 HD2 ARG A 12 37.397 -3.289 -3.363 1.00 0.00 H new ATOM 0 HD3 ARG A 12 37.963 -1.643 -3.565 1.00 0.00 H new ATOM 0 HE ARG A 12 40.107 -2.292 -2.914 1.00 0.00 H new ATOM 0 HH11 ARG A 12 37.761 -4.809 -2.103 1.00 0.00 H new ATOM 0 HH12 ARG A 12 39.005 -5.989 -1.676 1.00 0.00 H new ATOM 0 HH21 ARG A 12 41.693 -3.816 -2.360 1.00 0.00 H new ATOM 0 HH22 ARG A 12 41.218 -5.430 -1.821 1.00 0.00 H new ATOM 250 N ARG A 13 34.672 -2.266 -4.588 1.00 0.00 N ATOM 251 CA ARG A 13 34.203 -2.951 -5.788 1.00 0.00 C ATOM 252 C ARG A 13 34.619 -4.419 -5.774 1.00 0.00 C ATOM 253 O ARG A 13 35.245 -4.845 -4.781 1.00 0.00 O ATOM 254 CB ARG A 13 34.752 -2.265 -7.040 1.00 0.00 C ATOM 255 CG ARG A 13 34.405 -0.788 -7.127 1.00 0.00 C ATOM 256 CD ARG A 13 35.533 0.016 -7.756 1.00 0.00 C ATOM 257 NE ARG A 13 35.102 0.706 -8.970 1.00 0.00 N ATOM 258 CZ ARG A 13 35.938 1.177 -9.891 1.00 0.00 C ATOM 259 NH1 ARG A 13 37.250 1.035 -9.742 1.00 0.00 N ATOM 260 NH2 ARG A 13 35.463 1.792 -10.965 1.00 0.00 N ATOM 261 OXT ARG A 13 34.314 -5.129 -6.755 1.00 0.00 O ATOM 0 H ARG A 13 35.294 -1.478 -4.768 1.00 0.00 H new ATOM 0 HA ARG A 13 33.114 -2.901 -5.803 1.00 0.00 H new ATOM 0 HB2 ARG A 13 35.836 -2.377 -7.059 1.00 0.00 H new ATOM 0 HB3 ARG A 13 34.364 -2.773 -7.922 1.00 0.00 H new ATOM 0 HG2 ARG A 13 33.496 -0.661 -7.714 1.00 0.00 H new ATOM 0 HG3 ARG A 13 34.196 -0.403 -6.129 1.00 0.00 H new ATOM 0 HD2 ARG A 13 35.903 0.746 -7.036 1.00 0.00 H new ATOM 0 HD3 ARG A 13 36.364 -0.649 -7.992 1.00 0.00 H new ATOM 0 HE ARG A 13 34.101 0.834 -9.120 1.00 0.00 H new ATOM 0 HH11 ARG A 13 37.622 0.563 -8.918 1.00 0.00 H new ATOM 0 HH12 ARG A 13 37.886 1.398 -10.452 1.00 0.00 H new ATOM 0 HH21 ARG A 13 34.456 1.904 -11.085 1.00 0.00 H new ATOM 0 HH22 ARG A 13 36.104 2.153 -11.671 1.00 0.00 H new TER 275 ARG A 13