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+ -164:sc= -0.134 (180deg=-0.699) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 19.965 -2.437 -7.605 1.00 0.00 N ATOM 2 CA VAL A 1 19.844 -1.196 -6.798 1.00 0.00 C ATOM 3 C VAL A 1 20.015 -1.487 -5.311 1.00 0.00 C ATOM 4 O VAL A 1 19.050 -1.798 -4.614 1.00 0.00 O ATOM 5 CB VAL A 1 18.480 -0.517 -7.018 1.00 0.00 C ATOM 6 CG1 VAL A 1 18.443 0.844 -6.340 1.00 0.00 C ATOM 7 CG2 VAL A 1 18.181 -0.389 -8.504 1.00 0.00 C ATOM 0 H1 VAL A 1 20.116 -2.188 -8.603 1.00 0.00 H new ATOM 0 H2 VAL A 1 20.771 -2.997 -7.262 1.00 0.00 H new ATOM 0 H3 VAL A 1 19.092 -2.996 -7.516 1.00 0.00 H new ATOM 0 HA VAL A 1 20.637 -0.526 -7.129 1.00 0.00 H new ATOM 0 HB VAL A 1 17.708 -1.141 -6.568 1.00 0.00 H new ATOM 0 HG11 VAL A 1 17.471 1.308 -6.507 1.00 0.00 H new ATOM 0 HG12 VAL A 1 18.607 0.722 -5.269 1.00 0.00 H new ATOM 0 HG13 VAL A 1 19.224 1.479 -6.757 1.00 0.00 H new ATOM 0 HG21 VAL A 1 17.213 0.093 -8.640 1.00 0.00 H new ATOM 0 HG22 VAL A 1 18.956 0.212 -8.981 1.00 0.00 H new ATOM 0 HG23 VAL A 1 18.160 -1.380 -8.958 1.00 0.00 H new ATOM 19 N ARG A 2 21.250 -1.382 -4.831 1.00 0.00 N ATOM 20 CA ARG A 2 21.547 -1.631 -3.425 1.00 0.00 C ATOM 21 C ARG A 2 21.013 -0.511 -2.549 1.00 0.00 C ATOM 22 O ARG A 2 21.003 0.657 -2.942 1.00 0.00 O ATOM 23 CB ARG A 2 23.054 -1.789 -3.216 1.00 0.00 C ATOM 24 CG ARG A 2 23.605 -3.105 -3.737 1.00 0.00 C ATOM 25 CD ARG A 2 24.803 -3.571 -2.925 1.00 0.00 C ATOM 26 NE ARG A 2 24.405 -4.153 -1.644 1.00 0.00 N ATOM 27 CZ ARG A 2 24.401 -3.489 -0.488 1.00 0.00 C ATOM 28 NH1 ARG A 2 24.769 -2.215 -0.437 1.00 0.00 N ATOM 29 NH2 ARG A 2 24.024 -4.105 0.625 1.00 0.00 N ATOM 0 H ARG A 2 22.061 -1.126 -5.395 1.00 0.00 H new ATOM 0 HA ARG A 2 21.052 -2.558 -3.136 1.00 0.00 H new ATOM 0 HB2 ARG A 2 23.569 -0.967 -3.712 1.00 0.00 H new ATOM 0 HB3 ARG A 2 23.275 -1.708 -2.152 1.00 0.00 H new ATOM 0 HG2 ARG A 2 22.825 -3.865 -3.704 1.00 0.00 H new ATOM 0 HG3 ARG A 2 23.895 -2.991 -4.781 1.00 0.00 H new ATOM 0 HD2 ARG A 2 25.365 -4.308 -3.499 1.00 0.00 H new ATOM 0 HD3 ARG A 2 25.471 -2.728 -2.748 1.00 0.00 H new ATOM 0 HE ARG A 2 24.112 -5.130 -1.634 1.00 0.00 H new ATOM 0 HH11 ARG A 2 25.059 -1.733 -1.288 1.00 0.00 H new ATOM 0 HH12 ARG A 2 24.762 -1.717 0.453 1.00 0.00 H new ATOM 0 HH21 ARG A 2 23.738 -5.084 0.595 1.00 0.00 H new ATOM 0 HH22 ARG A 2 24.020 -3.600 1.511 1.00 0.00 H new ATOM 43 N ARG A 3 20.565 -0.885 -1.363 1.00 0.00 N ATOM 44 CA ARG A 3 20.014 0.063 -0.412 1.00 0.00 C ATOM 45 C ARG A 3 21.124 0.832 0.298 1.00 0.00 C ATOM 46 O ARG A 3 21.472 0.525 1.437 1.00 0.00 O ATOM 47 CB ARG A 3 19.153 -0.684 0.603 1.00 0.00 C ATOM 48 CG ARG A 3 18.579 0.205 1.695 1.00 0.00 C ATOM 49 CD ARG A 3 17.195 -0.256 2.122 1.00 0.00 C ATOM 50 NE ARG A 3 17.033 -0.237 3.574 1.00 0.00 N ATOM 51 CZ ARG A 3 15.853 -0.216 4.189 1.00 0.00 C ATOM 52 NH1 ARG A 3 14.729 -0.212 3.485 1.00 0.00 N ATOM 53 NH2 ARG A 3 15.798 -0.201 5.514 1.00 0.00 N ATOM 0 H ARG A 3 20.573 -1.850 -1.034 1.00 0.00 H new ATOM 0 HA ARG A 3 19.400 0.785 -0.950 1.00 0.00 H new ATOM 0 HB2 ARG A 3 18.333 -1.174 0.078 1.00 0.00 H new ATOM 0 HB3 ARG A 3 19.751 -1.470 1.064 1.00 0.00 H new ATOM 0 HG2 ARG A 3 19.246 0.201 2.557 1.00 0.00 H new ATOM 0 HG3 ARG A 3 18.526 1.233 1.338 1.00 0.00 H new ATOM 0 HD2 ARG A 3 16.442 0.387 1.665 1.00 0.00 H new ATOM 0 HD3 ARG A 3 17.019 -1.266 1.751 1.00 0.00 H new ATOM 0 HE ARG A 3 17.874 -0.240 4.151 1.00 0.00 H new ATOM 0 HH11 ARG A 3 14.766 -0.225 2.466 1.00 0.00 H new ATOM 0 HH12 ARG A 3 13.828 -0.196 3.963 1.00 0.00 H new ATOM 0 HH21 ARG A 3 16.659 -0.206 6.060 1.00 0.00 H new ATOM 0 HH22 ARG A 3 14.894 -0.185 5.987 1.00 0.00 H new ATOM 67 N PHE A 4 21.673 1.834 -0.391 1.00 0.00 N ATOM 68 CA PHE A 4 22.740 2.663 0.134 1.00 0.00 C ATOM 69 C PHE A 4 22.607 2.896 1.638 1.00 0.00 C ATOM 70 O PHE A 4 21.897 3.795 2.087 1.00 0.00 O ATOM 71 CB PHE A 4 22.746 3.990 -0.621 1.00 0.00 C ATOM 72 CG PHE A 4 21.731 4.986 -0.125 1.00 0.00 C ATOM 73 CD1 PHE A 4 20.393 4.637 -0.025 1.00 0.00 C ATOM 74 CD2 PHE A 4 22.116 6.264 0.244 1.00 0.00 C ATOM 75 CE1 PHE A 4 19.459 5.547 0.432 1.00 0.00 C ATOM 76 CE2 PHE A 4 21.185 7.178 0.700 1.00 0.00 C ATOM 77 CZ PHE A 4 19.854 6.820 0.793 1.00 0.00 C ATOM 0 H PHE A 4 21.382 2.088 -1.335 1.00 0.00 H new ATOM 0 HA PHE A 4 23.687 2.143 -0.014 1.00 0.00 H new ATOM 0 HB2 PHE A 4 23.739 4.433 -0.547 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.561 3.795 -1.677 1.00 0.00 H new ATOM 0 HD1 PHE A 4 20.077 3.643 -0.307 1.00 0.00 H new ATOM 0 HD2 PHE A 4 23.155 6.550 0.175 1.00 0.00 H new ATOM 0 HE1 PHE A 4 18.420 5.263 0.507 1.00 0.00 H new ATOM 0 HE2 PHE A 4 21.498 8.172 0.984 1.00 0.00 H new ATOM 0 HZ PHE A 4 19.125 7.534 1.147 1.00 0.00 H new ATOM 87 N PRO A 5 23.302 2.085 2.440 1.00 0.00 N ATOM 88 CA PRO A 5 23.269 2.212 3.894 1.00 0.00 C ATOM 89 C PRO A 5 23.946 3.500 4.358 1.00 0.00 C ATOM 90 O PRO A 5 23.949 4.500 3.641 1.00 0.00 O ATOM 91 CB PRO A 5 24.024 0.965 4.368 1.00 0.00 C ATOM 92 CG PRO A 5 24.926 0.611 3.243 1.00 0.00 C ATOM 93 CD PRO A 5 24.181 0.986 1.994 1.00 0.00 C ATOM 0 HA PRO A 5 22.258 2.272 4.298 1.00 0.00 H new ATOM 0 HB2 PRO A 5 24.589 1.168 5.278 1.00 0.00 H new ATOM 0 HB3 PRO A 5 23.337 0.150 4.594 1.00 0.00 H new ATOM 0 HG2 PRO A 5 25.870 1.151 3.313 1.00 0.00 H new ATOM 0 HG3 PRO A 5 25.165 -0.452 3.252 1.00 0.00 H new ATOM 0 HD2 PRO A 5 24.858 1.308 1.203 1.00 0.00 H new ATOM 0 HD3 PRO A 5 23.608 0.147 1.600 1.00 0.00 H new ATOM 101 N TRP A 6 24.530 3.465 5.544 1.00 0.00 N ATOM 102 CA TRP A 6 25.231 4.615 6.090 1.00 0.00 C ATOM 103 C TRP A 6 26.688 4.243 6.318 1.00 0.00 C ATOM 104 O TRP A 6 27.440 4.966 6.971 1.00 0.00 O ATOM 105 CB TRP A 6 24.584 5.089 7.399 1.00 0.00 C ATOM 106 CG TRP A 6 24.106 3.976 8.284 1.00 0.00 C ATOM 107 CD1 TRP A 6 23.270 2.952 7.941 1.00 0.00 C ATOM 108 CD2 TRP A 6 24.427 3.783 9.667 1.00 0.00 C ATOM 109 NE1 TRP A 6 23.059 2.130 9.022 1.00 0.00 N ATOM 110 CE2 TRP A 6 23.756 2.621 10.095 1.00 0.00 C ATOM 111 CE3 TRP A 6 25.218 4.481 10.585 1.00 0.00 C ATOM 112 CZ2 TRP A 6 23.853 2.143 11.399 1.00 0.00 C ATOM 113 CZ3 TRP A 6 25.313 4.004 11.878 1.00 0.00 C ATOM 114 CH2 TRP A 6 24.635 2.845 12.276 1.00 0.00 C ATOM 0 H TRP A 6 24.532 2.646 6.151 1.00 0.00 H new ATOM 0 HA TRP A 6 25.170 5.439 5.379 1.00 0.00 H new ATOM 0 HB2 TRP A 6 25.305 5.693 7.950 1.00 0.00 H new ATOM 0 HB3 TRP A 6 23.741 5.737 7.161 1.00 0.00 H new ATOM 0 HD1 TRP A 6 22.837 2.809 6.962 1.00 0.00 H new ATOM 0 HE1 TRP A 6 22.478 1.291 9.025 1.00 0.00 H new ATOM 0 HE3 TRP A 6 25.745 5.376 10.289 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 23.330 1.250 11.708 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 25.921 4.535 12.595 1.00 0.00 H new ATOM 0 HH2 TRP A 6 24.731 2.499 13.294 1.00 0.00 H new ATOM 125 N TRP A 7 27.067 3.093 5.767 1.00 0.00 N ATOM 126 CA TRP A 7 28.416 2.579 5.887 1.00 0.00 C ATOM 127 C TRP A 7 28.947 2.115 4.527 1.00 0.00 C ATOM 128 O TRP A 7 30.062 1.601 4.434 1.00 0.00 O ATOM 129 CB TRP A 7 28.433 1.423 6.887 1.00 0.00 C ATOM 130 CG TRP A 7 27.593 0.259 6.461 1.00 0.00 C ATOM 131 CD1 TRP A 7 26.262 0.080 6.702 1.00 0.00 C ATOM 132 CD2 TRP A 7 28.024 -0.889 5.721 1.00 0.00 C ATOM 133 NE1 TRP A 7 25.838 -1.106 6.156 1.00 0.00 N ATOM 134 CE2 TRP A 7 26.902 -1.719 5.548 1.00 0.00 C ATOM 135 CE3 TRP A 7 29.251 -1.295 5.187 1.00 0.00 C ATOM 136 CZ2 TRP A 7 26.968 -2.930 4.865 1.00 0.00 C ATOM 137 CZ3 TRP A 7 29.316 -2.498 4.509 1.00 0.00 C ATOM 138 CH2 TRP A 7 28.180 -3.303 4.352 1.00 0.00 C ATOM 0 H TRP A 7 26.442 2.495 5.226 1.00 0.00 H new ATOM 0 HA TRP A 7 29.066 3.377 6.246 1.00 0.00 H new ATOM 0 HB2 TRP A 7 29.461 1.088 7.027 1.00 0.00 H new ATOM 0 HB3 TRP A 7 28.080 1.783 7.854 1.00 0.00 H new ATOM 0 HD1 TRP A 7 25.633 0.771 7.244 1.00 0.00 H new ATOM 0 HE1 TRP A 7 24.886 -1.471 6.196 1.00 0.00 H new ATOM 0 HE3 TRP A 7 30.131 -0.680 5.302 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 26.094 -3.553 4.744 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 30.258 -2.823 4.093 1.00 0.00 H new ATOM 0 HH2 TRP A 7 28.263 -4.237 3.815 1.00 0.00 H new ATOM 149 N TRP A 8 28.148 2.307 3.469 1.00 0.00 N ATOM 150 CA TRP A 8 28.546 1.917 2.132 1.00 0.00 C ATOM 151 C TRP A 8 29.656 2.820 1.575 1.00 0.00 C ATOM 152 O TRP A 8 30.487 2.366 0.791 1.00 0.00 O ATOM 153 CB TRP A 8 27.330 1.948 1.197 1.00 0.00 C ATOM 154 CG TRP A 8 27.266 3.165 0.332 1.00 0.00 C ATOM 155 CD1 TRP A 8 27.831 3.334 -0.887 1.00 0.00 C ATOM 156 CD2 TRP A 8 26.608 4.380 0.640 1.00 0.00 C ATOM 157 NE1 TRP A 8 27.543 4.587 -1.375 1.00 0.00 N ATOM 158 CE2 TRP A 8 26.789 5.252 -0.446 1.00 0.00 C ATOM 159 CE3 TRP A 8 25.878 4.804 1.733 1.00 0.00 C ATOM 160 CZ2 TRP A 8 26.254 6.537 -0.462 1.00 0.00 C ATOM 161 CZ3 TRP A 8 25.348 6.072 1.727 1.00 0.00 C ATOM 162 CH2 TRP A 8 25.534 6.931 0.635 1.00 0.00 C ATOM 0 H TRP A 8 27.222 2.732 3.525 1.00 0.00 H new ATOM 0 HA TRP A 8 28.944 0.904 2.189 1.00 0.00 H new ATOM 0 HB2 TRP A 8 27.349 1.063 0.562 1.00 0.00 H new ATOM 0 HB3 TRP A 8 26.421 1.891 1.796 1.00 0.00 H new ATOM 0 HD1 TRP A 8 28.423 2.592 -1.402 1.00 0.00 H new ATOM 0 HE1 TRP A 8 27.841 4.958 -2.277 1.00 0.00 H new ATOM 0 HE3 TRP A 8 25.726 4.150 2.579 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 26.400 7.196 -1.305 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 24.778 6.413 2.579 1.00 0.00 H new ATOM 0 HH2 TRP A 8 25.102 7.921 0.659 1.00 0.00 H new ATOM 173 N PRO A 9 29.678 4.123 1.938 1.00 0.00 N ATOM 174 CA PRO A 9 30.660 5.068 1.448 1.00 0.00 C ATOM 175 C PRO A 9 32.042 4.449 1.238 1.00 0.00 C ATOM 176 O PRO A 9 32.779 4.842 0.332 1.00 0.00 O ATOM 177 CB PRO A 9 30.718 6.140 2.554 1.00 0.00 C ATOM 178 CG PRO A 9 29.659 5.760 3.542 1.00 0.00 C ATOM 179 CD PRO A 9 28.749 4.815 2.819 1.00 0.00 C ATOM 0 HA PRO A 9 30.379 5.454 0.468 1.00 0.00 H new ATOM 0 HB2 PRO A 9 31.701 6.165 3.024 1.00 0.00 H new ATOM 0 HB3 PRO A 9 30.534 7.134 2.146 1.00 0.00 H new ATOM 0 HG2 PRO A 9 30.096 5.287 4.421 1.00 0.00 H new ATOM 0 HG3 PRO A 9 29.115 6.638 3.890 1.00 0.00 H new ATOM 0 HD2 PRO A 9 28.245 4.130 3.501 1.00 0.00 H new ATOM 0 HD3 PRO A 9 27.972 5.340 2.263 1.00 0.00 H new ATOM 187 N PHE A 10 32.389 3.489 2.091 1.00 0.00 N ATOM 188 CA PHE A 10 33.685 2.823 2.015 1.00 0.00 C ATOM 189 C PHE A 10 33.695 1.720 0.957 1.00 0.00 C ATOM 190 O PHE A 10 34.680 1.555 0.238 1.00 0.00 O ATOM 191 CB PHE A 10 34.057 2.237 3.378 1.00 0.00 C ATOM 192 CG PHE A 10 33.879 3.204 4.514 1.00 0.00 C ATOM 193 CD1 PHE A 10 34.812 4.203 4.743 1.00 0.00 C ATOM 194 CD2 PHE A 10 32.780 3.113 5.353 1.00 0.00 C ATOM 195 CE1 PHE A 10 34.651 5.094 5.788 1.00 0.00 C ATOM 196 CE2 PHE A 10 32.614 4.001 6.398 1.00 0.00 C ATOM 197 CZ PHE A 10 33.550 4.992 6.616 1.00 0.00 C ATOM 0 H PHE A 10 31.789 3.155 2.845 1.00 0.00 H new ATOM 0 HA PHE A 10 34.422 3.572 1.725 1.00 0.00 H new ATOM 0 HB2 PHE A 10 33.446 1.354 3.564 1.00 0.00 H new ATOM 0 HB3 PHE A 10 35.095 1.907 3.352 1.00 0.00 H new ATOM 0 HD1 PHE A 10 35.674 4.286 4.098 1.00 0.00 H new ATOM 0 HD2 PHE A 10 32.045 2.339 5.188 1.00 0.00 H new ATOM 0 HE1 PHE A 10 35.385 5.868 5.957 1.00 0.00 H new ATOM 0 HE2 PHE A 10 31.752 3.920 7.044 1.00 0.00 H new ATOM 0 HZ PHE A 10 33.422 5.687 7.433 1.00 0.00 H new ATOM 207 N LEU A 11 32.603 0.963 0.864 1.00 0.00 N ATOM 208 CA LEU A 11 32.525 -0.121 -0.117 1.00 0.00 C ATOM 209 C LEU A 11 32.408 0.434 -1.533 1.00 0.00 C ATOM 210 O LEU A 11 31.798 1.480 -1.752 1.00 0.00 O ATOM 211 CB LEU A 11 31.348 -1.064 0.174 1.00 0.00 C ATOM 212 CG LEU A 11 30.046 -0.383 0.595 1.00 0.00 C ATOM 213 CD1 LEU A 11 29.344 0.243 -0.603 1.00 0.00 C ATOM 214 CD2 LEU A 11 29.122 -1.366 1.298 1.00 0.00 C ATOM 0 H LEU A 11 31.772 1.076 1.445 1.00 0.00 H new ATOM 0 HA LEU A 11 33.449 -0.694 -0.037 1.00 0.00 H new ATOM 0 HB2 LEU A 11 31.154 -1.660 -0.718 1.00 0.00 H new ATOM 0 HB3 LEU A 11 31.646 -1.756 0.961 1.00 0.00 H new ATOM 0 HG LEU A 11 30.299 0.412 1.296 1.00 0.00 H new ATOM 0 HD11 LEU A 11 28.421 0.721 -0.275 1.00 0.00 H new ATOM 0 HD12 LEU A 11 29.996 0.988 -1.058 1.00 0.00 H new ATOM 0 HD13 LEU A 11 29.112 -0.531 -1.334 1.00 0.00 H new ATOM 0 HD21 LEU A 11 28.202 -0.857 1.588 1.00 0.00 H new ATOM 0 HD22 LEU A 11 28.885 -2.189 0.623 1.00 0.00 H new ATOM 0 HD23 LEU A 11 29.616 -1.757 2.187 1.00 0.00 H new ATOM 226 N ARG A 12 32.998 -0.274 -2.489 1.00 0.00 N ATOM 227 CA ARG A 12 32.964 0.144 -3.885 1.00 0.00 C ATOM 228 C ARG A 12 33.085 -1.059 -4.815 1.00 0.00 C ATOM 229 O ARG A 12 32.325 -1.195 -5.774 1.00 0.00 O ATOM 230 CB ARG A 12 34.091 1.138 -4.169 1.00 0.00 C ATOM 231 CG ARG A 12 33.761 2.134 -5.268 1.00 0.00 C ATOM 232 CD ARG A 12 33.451 3.511 -4.700 1.00 0.00 C ATOM 233 NE ARG A 12 32.022 3.691 -4.455 1.00 0.00 N ATOM 234 CZ ARG A 12 31.515 4.676 -3.714 1.00 0.00 C ATOM 235 NH1 ARG A 12 32.318 5.568 -3.147 1.00 0.00 N ATOM 236 NH2 ARG A 12 30.204 4.767 -3.541 1.00 0.00 N ATOM 0 H ARG A 12 33.507 -1.142 -2.322 1.00 0.00 H new ATOM 0 HA ARG A 12 32.006 0.630 -4.070 1.00 0.00 H new ATOM 0 HB2 ARG A 12 34.323 1.683 -3.254 1.00 0.00 H new ATOM 0 HB3 ARG A 12 34.989 0.587 -4.448 1.00 0.00 H new ATOM 0 HG2 ARG A 12 34.601 2.205 -5.959 1.00 0.00 H new ATOM 0 HG3 ARG A 12 32.906 1.775 -5.841 1.00 0.00 H new ATOM 0 HD2 ARG A 12 33.999 3.651 -3.768 1.00 0.00 H new ATOM 0 HD3 ARG A 12 33.800 4.276 -5.393 1.00 0.00 H new ATOM 0 HE ARG A 12 31.375 3.024 -4.875 1.00 0.00 H new ATOM 0 HH11 ARG A 12 33.327 5.501 -3.278 1.00 0.00 H new ATOM 0 HH12 ARG A 12 31.926 6.320 -2.581 1.00 0.00 H new ATOM 0 HH21 ARG A 12 29.584 4.083 -3.975 1.00 0.00 H new ATOM 0 HH22 ARG A 12 29.816 5.521 -2.974 1.00 0.00 H new ATOM 250 N ARG A 13 34.045 -1.931 -4.523 1.00 0.00 N ATOM 251 CA ARG A 13 34.267 -3.123 -5.329 1.00 0.00 C ATOM 252 C ARG A 13 35.343 -4.009 -4.708 1.00 0.00 C ATOM 253 O ARG A 13 35.053 -5.194 -4.442 1.00 0.00 O ATOM 254 CB ARG A 13 34.663 -2.733 -6.756 1.00 0.00 C ATOM 255 CG ARG A 13 33.725 -3.282 -7.819 1.00 0.00 C ATOM 256 CD ARG A 13 33.372 -2.225 -8.853 1.00 0.00 C ATOM 257 NE ARG A 13 32.025 -2.411 -9.388 1.00 0.00 N ATOM 258 CZ ARG A 13 31.716 -3.305 -10.324 1.00 0.00 C ATOM 259 NH1 ARG A 13 32.654 -4.095 -10.831 1.00 0.00 N ATOM 260 NH2 ARG A 13 30.466 -3.409 -10.756 1.00 0.00 N ATOM 261 OXT ARG A 13 36.467 -3.509 -4.492 1.00 0.00 O ATOM 0 H ARG A 13 34.682 -1.833 -3.732 1.00 0.00 H new ATOM 0 HA ARG A 13 33.336 -3.689 -5.362 1.00 0.00 H new ATOM 0 HB2 ARG A 13 34.689 -1.646 -6.833 1.00 0.00 H new ATOM 0 HB3 ARG A 13 35.673 -3.091 -6.955 1.00 0.00 H new ATOM 0 HG2 ARG A 13 34.193 -4.134 -8.313 1.00 0.00 H new ATOM 0 HG3 ARG A 13 32.814 -3.649 -7.347 1.00 0.00 H new ATOM 0 HD2 ARG A 13 33.449 -1.236 -8.401 1.00 0.00 H new ATOM 0 HD3 ARG A 13 34.094 -2.260 -9.669 1.00 0.00 H new ATOM 0 HE ARG A 13 31.278 -1.821 -9.023 1.00 0.00 H new ATOM 0 HH11 ARG A 13 33.617 -4.019 -10.503 1.00 0.00 H new ATOM 0 HH12 ARG A 13 32.412 -4.779 -11.548 1.00 0.00 H new ATOM 0 HH21 ARG A 13 29.741 -2.804 -10.371 1.00 0.00 H new ATOM 0 HH22 ARG A 13 30.230 -4.094 -11.473 1.00 0.00 H new TER 275 ARG A 13