USER MOD reduce.3.24.130724 H: found=0, std=0, add=132, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 134 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+ 168:sc= -0.0801 (180deg=-0.316) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -5.941 -6.436 -1.807 1.00 0.00 N ATOM 2 CA VAL A 1 -5.479 -5.183 -1.156 1.00 0.00 C ATOM 3 C VAL A 1 -6.161 -3.962 -1.771 1.00 0.00 C ATOM 4 O VAL A 1 -6.095 -3.740 -2.981 1.00 0.00 O ATOM 5 CB VAL A 1 -3.945 -5.038 -1.271 1.00 0.00 C ATOM 6 CG1 VAL A 1 -3.508 -5.043 -2.728 1.00 0.00 C ATOM 7 CG2 VAL A 1 -3.459 -3.779 -0.567 1.00 0.00 C ATOM 0 H1 VAL A 1 -5.325 -7.224 -1.521 1.00 0.00 H new ATOM 0 H2 VAL A 1 -6.919 -6.638 -1.517 1.00 0.00 H new ATOM 0 H3 VAL A 1 -5.903 -6.325 -2.840 1.00 0.00 H new ATOM 0 HA VAL A 1 -5.750 -5.240 -0.102 1.00 0.00 H new ATOM 0 HB VAL A 1 -3.491 -5.896 -0.776 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -2.424 -4.940 -2.783 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -3.807 -5.982 -3.194 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -3.979 -4.211 -3.252 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -2.376 -3.703 -0.664 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -3.926 -2.905 -1.021 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -3.726 -3.826 0.489 1.00 0.00 H new ATOM 19 N ARG A 2 -6.823 -3.176 -0.927 1.00 0.00 N ATOM 20 CA ARG A 2 -7.524 -1.978 -1.380 1.00 0.00 C ATOM 21 C ARG A 2 -6.547 -0.818 -1.581 1.00 0.00 C ATOM 22 O ARG A 2 -5.579 -0.944 -2.328 1.00 0.00 O ATOM 23 CB ARG A 2 -8.621 -1.597 -0.382 1.00 0.00 C ATOM 24 CG ARG A 2 -9.655 -2.691 -0.171 1.00 0.00 C ATOM 25 CD ARG A 2 -10.760 -2.242 0.773 1.00 0.00 C ATOM 26 NE ARG A 2 -11.754 -3.291 0.993 1.00 0.00 N ATOM 27 CZ ARG A 2 -12.506 -3.815 0.028 1.00 0.00 C ATOM 28 NH1 ARG A 2 -12.394 -3.379 -1.220 1.00 0.00 N ATOM 29 NH2 ARG A 2 -13.376 -4.774 0.312 1.00 0.00 N ATOM 0 H ARG A 2 -6.889 -3.347 0.076 1.00 0.00 H new ATOM 0 HA ARG A 2 -7.990 -2.194 -2.342 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -8.161 -1.353 0.576 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -9.124 -0.696 -0.733 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -10.088 -2.973 -1.131 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -9.169 -3.579 0.233 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -10.324 -1.950 1.728 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -11.250 -1.359 0.363 1.00 0.00 H new ATOM 0 HE ARG A 2 -11.879 -3.642 1.942 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -11.729 -2.639 -1.444 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -12.973 -3.784 -1.956 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -13.469 -5.111 1.270 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -13.952 -5.175 -0.428 1.00 0.00 H new ATOM 43 N ARG A 3 -6.804 0.308 -0.914 1.00 0.00 N ATOM 44 CA ARG A 3 -5.940 1.481 -1.026 1.00 0.00 C ATOM 45 C ARG A 3 -4.494 1.112 -0.732 1.00 0.00 C ATOM 46 O ARG A 3 -3.573 1.608 -1.373 1.00 0.00 O ATOM 47 CB ARG A 3 -6.401 2.569 -0.057 1.00 0.00 C ATOM 48 CG ARG A 3 -7.844 2.977 -0.266 1.00 0.00 C ATOM 49 CD ARG A 3 -8.343 3.884 0.848 1.00 0.00 C ATOM 50 NE ARG A 3 -9.746 4.255 0.666 1.00 0.00 N ATOM 51 CZ ARG A 3 -10.750 3.378 0.641 1.00 0.00 C ATOM 52 NH1 ARG A 3 -10.511 2.081 0.793 1.00 0.00 N ATOM 53 NH2 ARG A 3 -11.995 3.799 0.467 1.00 0.00 N ATOM 0 H ARG A 3 -7.603 0.431 -0.292 1.00 0.00 H new ATOM 0 HA ARG A 3 -6.005 1.857 -2.047 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -6.274 2.214 0.966 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.762 3.444 -0.172 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -7.942 3.490 -1.223 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -8.470 2.086 -0.317 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -8.223 3.380 1.807 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -7.731 4.785 0.883 1.00 0.00 H new ATOM 0 HE ARG A 3 -9.970 5.244 0.551 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -9.556 1.751 0.930 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -11.283 1.414 0.773 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -12.185 4.794 0.352 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -12.762 3.127 0.448 1.00 0.00 H new ATOM 67 N PHE A 4 -4.311 0.235 0.244 1.00 0.00 N ATOM 68 CA PHE A 4 -2.984 -0.218 0.643 1.00 0.00 C ATOM 69 C PHE A 4 -2.133 -0.549 -0.565 1.00 0.00 C ATOM 70 O PHE A 4 -0.914 -0.437 -0.538 1.00 0.00 O ATOM 71 CB PHE A 4 -3.115 -1.432 1.559 1.00 0.00 C ATOM 72 CG PHE A 4 -3.819 -1.119 2.847 1.00 0.00 C ATOM 73 CD1 PHE A 4 -4.228 0.176 3.122 1.00 0.00 C ATOM 74 CD2 PHE A 4 -4.096 -2.113 3.766 1.00 0.00 C ATOM 75 CE1 PHE A 4 -4.895 0.477 4.284 1.00 0.00 C ATOM 76 CE2 PHE A 4 -4.763 -1.820 4.939 1.00 0.00 C ATOM 77 CZ PHE A 4 -5.164 -0.521 5.201 1.00 0.00 C ATOM 0 H PHE A 4 -5.072 -0.181 0.780 1.00 0.00 H new ATOM 0 HA PHE A 4 -2.487 0.588 1.183 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.659 -2.219 1.036 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -2.122 -1.823 1.779 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.019 0.961 2.411 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.788 -3.128 3.565 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -5.209 1.492 4.481 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.972 -2.604 5.652 1.00 0.00 H new ATOM 0 HZ PHE A 4 -5.685 -0.289 6.118 1.00 0.00 H new ATOM 87 N ALA A 5 -2.786 -0.959 -1.624 1.00 0.00 N ATOM 88 CA ALA A 5 -2.096 -1.314 -2.841 1.00 0.00 C ATOM 89 C ALA A 5 -1.171 -0.196 -3.327 1.00 0.00 C ATOM 90 O ALA A 5 -0.035 -0.459 -3.724 1.00 0.00 O ATOM 91 CB ALA A 5 -3.114 -1.672 -3.901 1.00 0.00 C ATOM 0 H ALA A 5 -3.800 -1.056 -1.668 1.00 0.00 H new ATOM 0 HA ALA A 5 -1.460 -2.175 -2.637 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.599 -1.941 -4.823 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -3.713 -2.516 -3.560 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.764 -0.817 -4.085 1.00 0.00 H new ATOM 97 N TRP A 6 -1.655 1.046 -3.311 1.00 0.00 N ATOM 98 CA TRP A 6 -0.848 2.174 -3.772 1.00 0.00 C ATOM 99 C TRP A 6 0.069 2.733 -2.683 1.00 0.00 C ATOM 100 O TRP A 6 0.597 3.834 -2.840 1.00 0.00 O ATOM 101 CB TRP A 6 -1.735 3.298 -4.323 1.00 0.00 C ATOM 102 CG TRP A 6 -2.823 3.701 -3.388 1.00 0.00 C ATOM 103 CD1 TRP A 6 -4.136 3.396 -3.515 1.00 0.00 C ATOM 104 CD2 TRP A 6 -2.698 4.458 -2.175 1.00 0.00 C ATOM 105 NE1 TRP A 6 -4.841 3.911 -2.463 1.00 0.00 N ATOM 106 CE2 TRP A 6 -3.980 4.567 -1.618 1.00 0.00 C ATOM 107 CE3 TRP A 6 -1.629 5.046 -1.505 1.00 0.00 C ATOM 108 CZ2 TRP A 6 -4.217 5.240 -0.414 1.00 0.00 C ATOM 109 CZ3 TRP A 6 -1.857 5.697 -0.303 1.00 0.00 C ATOM 110 CH2 TRP A 6 -3.134 5.785 0.231 1.00 0.00 C ATOM 0 H TRP A 6 -2.590 1.294 -2.988 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.215 1.785 -4.569 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -1.114 4.166 -4.543 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -2.176 2.974 -5.266 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -4.564 2.829 -4.328 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -5.848 3.822 -2.327 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -0.632 4.995 -1.918 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -5.214 5.327 -0.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -1.028 6.143 0.226 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -3.280 6.292 1.173 1.00 0.00 H new ATOM 121 N TRP A 7 0.269 2.005 -1.576 1.00 0.00 N ATOM 122 CA TRP A 7 1.129 2.531 -0.513 1.00 0.00 C ATOM 123 C TRP A 7 1.596 1.503 0.498 1.00 0.00 C ATOM 124 O TRP A 7 2.769 1.485 0.860 1.00 0.00 O ATOM 125 CB TRP A 7 0.422 3.639 0.202 1.00 0.00 C ATOM 126 CG TRP A 7 -0.687 3.164 1.052 1.00 0.00 C ATOM 127 CD1 TRP A 7 -1.966 2.833 0.706 1.00 0.00 C ATOM 128 CD2 TRP A 7 -0.583 2.977 2.424 1.00 0.00 C ATOM 129 NE1 TRP A 7 -2.665 2.481 1.822 1.00 0.00 N ATOM 130 CE2 TRP A 7 -1.823 2.551 2.891 1.00 0.00 C ATOM 131 CE3 TRP A 7 0.461 3.139 3.299 1.00 0.00 C ATOM 132 CZ2 TRP A 7 -2.046 2.285 4.213 1.00 0.00 C ATOM 133 CZ3 TRP A 7 0.253 2.874 4.607 1.00 0.00 C ATOM 134 CH2 TRP A 7 -0.996 2.446 5.071 1.00 0.00 C ATOM 0 H TRP A 7 -0.136 1.086 -1.398 1.00 0.00 H new ATOM 0 HA TRP A 7 2.029 2.886 -1.015 1.00 0.00 H new ATOM 0 HB2 TRP A 7 1.139 4.181 0.819 1.00 0.00 H new ATOM 0 HB3 TRP A 7 0.033 4.346 -0.531 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -2.363 2.848 -0.298 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -3.648 2.212 1.852 1.00 0.00 H new ATOM 0 HE3 TRP A 7 1.428 3.471 2.950 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -3.014 1.960 4.565 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 1.066 2.995 5.308 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -1.131 2.240 6.123 1.00 0.00 H new ATOM 145 N TRP A 8 0.709 0.661 0.974 1.00 0.00 N ATOM 146 CA TRP A 8 1.115 -0.339 1.932 1.00 0.00 C ATOM 147 C TRP A 8 2.334 -1.033 1.356 1.00 0.00 C ATOM 148 O TRP A 8 3.272 -1.397 2.066 1.00 0.00 O ATOM 149 CB TRP A 8 -0.019 -1.316 2.175 1.00 0.00 C ATOM 150 CG TRP A 8 0.174 -2.643 1.526 1.00 0.00 C ATOM 151 CD1 TRP A 8 -0.307 -3.057 0.322 1.00 0.00 C ATOM 152 CD2 TRP A 8 0.896 -3.731 2.071 1.00 0.00 C ATOM 153 NE1 TRP A 8 0.067 -4.358 0.091 1.00 0.00 N ATOM 154 CE2 TRP A 8 0.809 -4.794 1.157 1.00 0.00 C ATOM 155 CE3 TRP A 8 1.606 -3.900 3.253 1.00 0.00 C ATOM 156 CZ2 TRP A 8 1.409 -6.022 1.394 1.00 0.00 C ATOM 157 CZ3 TRP A 8 2.205 -5.122 3.493 1.00 0.00 C ATOM 158 CH2 TRP A 8 2.099 -6.170 2.565 1.00 0.00 C ATOM 0 H TRP A 8 -0.279 0.647 0.720 1.00 0.00 H new ATOM 0 HA TRP A 8 1.361 0.107 2.896 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -0.135 -1.462 3.249 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.948 -0.877 1.811 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.896 -2.452 -0.352 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -0.168 -4.908 -0.736 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.688 -3.095 3.968 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 1.334 -6.830 0.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 2.762 -5.273 4.406 1.00 0.00 H new ATOM 0 HH2 TRP A 8 2.574 -7.116 2.781 1.00 0.00 H new ATOM 169 N ALA A 9 2.314 -1.151 0.031 1.00 0.00 N ATOM 170 CA ALA A 9 3.410 -1.729 -0.707 1.00 0.00 C ATOM 171 C ALA A 9 4.546 -0.706 -0.762 1.00 0.00 C ATOM 172 O ALA A 9 5.721 -1.035 -0.606 1.00 0.00 O ATOM 173 CB ALA A 9 2.951 -2.121 -2.101 1.00 0.00 C ATOM 0 H ALA A 9 1.534 -0.846 -0.552 1.00 0.00 H new ATOM 0 HA ALA A 9 3.766 -2.634 -0.214 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.786 -2.556 -2.650 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.145 -2.851 -2.027 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.592 -1.237 -2.628 1.00 0.00 H new ATOM 179 N PHE A 10 4.146 0.555 -0.936 1.00 0.00 N ATOM 180 CA PHE A 10 5.062 1.697 -0.959 1.00 0.00 C ATOM 181 C PHE A 10 5.975 1.635 0.269 1.00 0.00 C ATOM 182 O PHE A 10 7.119 2.089 0.241 1.00 0.00 O ATOM 183 CB PHE A 10 4.202 2.990 -0.988 1.00 0.00 C ATOM 184 CG PHE A 10 4.793 4.241 -0.391 1.00 0.00 C ATOM 185 CD1 PHE A 10 6.119 4.590 -0.599 1.00 0.00 C ATOM 186 CD2 PHE A 10 3.990 5.085 0.380 1.00 0.00 C ATOM 187 CE1 PHE A 10 6.639 5.747 -0.049 1.00 0.00 C ATOM 188 CE2 PHE A 10 4.510 6.240 0.929 1.00 0.00 C ATOM 189 CZ PHE A 10 5.835 6.571 0.716 1.00 0.00 C ATOM 0 H PHE A 10 3.168 0.815 -1.066 1.00 0.00 H new ATOM 0 HA PHE A 10 5.705 1.684 -1.839 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.950 3.202 -2.027 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.266 2.781 -0.470 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.752 3.951 -1.197 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.954 4.832 0.548 1.00 0.00 H new ATOM 0 HE1 PHE A 10 7.674 6.007 -0.217 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.881 6.885 1.525 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.242 7.474 1.147 1.00 0.00 H new ATOM 199 N LEU A 11 5.450 1.050 1.343 1.00 0.00 N ATOM 200 CA LEU A 11 6.189 0.902 2.594 1.00 0.00 C ATOM 201 C LEU A 11 7.141 -0.292 2.558 1.00 0.00 C ATOM 202 O LEU A 11 8.332 -0.156 2.841 1.00 0.00 O ATOM 203 CB LEU A 11 5.209 0.707 3.746 1.00 0.00 C ATOM 204 CG LEU A 11 4.101 1.751 3.842 1.00 0.00 C ATOM 205 CD1 LEU A 11 3.013 1.267 4.783 1.00 0.00 C ATOM 206 CD2 LEU A 11 4.664 3.085 4.311 1.00 0.00 C ATOM 0 H LEU A 11 4.505 0.667 1.371 1.00 0.00 H new ATOM 0 HA LEU A 11 6.778 1.808 2.734 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.751 -0.277 3.649 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.768 0.708 4.681 1.00 0.00 H new ATOM 0 HG LEU A 11 3.667 1.896 2.853 1.00 0.00 H new ATOM 0 HD11 LEU A 11 2.226 2.018 4.846 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.595 0.334 4.406 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.436 1.101 5.774 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.859 3.818 4.374 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.120 2.962 5.293 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.416 3.432 3.602 1.00 0.00 H new ATOM 218 N ARG A 12 6.598 -1.470 2.243 1.00 0.00 N ATOM 219 CA ARG A 12 7.390 -2.698 2.209 1.00 0.00 C ATOM 220 C ARG A 12 8.622 -2.552 1.316 1.00 0.00 C ATOM 221 O ARG A 12 9.713 -2.995 1.676 1.00 0.00 O ATOM 222 CB ARG A 12 6.539 -3.884 1.741 1.00 0.00 C ATOM 223 CG ARG A 12 6.030 -3.757 0.317 1.00 0.00 C ATOM 224 CD ARG A 12 5.251 -4.991 -0.111 1.00 0.00 C ATOM 225 NE ARG A 12 4.775 -4.888 -1.489 1.00 0.00 N ATOM 226 CZ ARG A 12 5.579 -4.798 -2.547 1.00 0.00 C ATOM 227 NH1 ARG A 12 6.896 -4.818 -2.390 1.00 0.00 N ATOM 228 NH2 ARG A 12 5.064 -4.692 -3.764 1.00 0.00 N ATOM 0 H ARG A 12 5.614 -1.598 2.008 1.00 0.00 H new ATOM 0 HA ARG A 12 7.732 -2.888 3.226 1.00 0.00 H new ATOM 0 HB2 ARG A 12 7.129 -4.796 1.825 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.687 -3.993 2.412 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.392 -2.877 0.235 1.00 0.00 H new ATOM 0 HG3 ARG A 12 6.872 -3.605 -0.359 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.885 -5.872 -0.011 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.401 -5.133 0.556 1.00 0.00 H new ATOM 0 HE ARG A 12 3.768 -4.885 -1.650 1.00 0.00 H new ATOM 0 HH11 ARG A 12 7.297 -4.903 -1.456 1.00 0.00 H new ATOM 0 HH12 ARG A 12 7.508 -4.749 -3.203 1.00 0.00 H new ATOM 0 HH21 ARG A 12 4.052 -4.679 -3.890 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.680 -4.623 -4.574 1.00 0.00 H new ATOM 242 N ARG A 13 8.443 -1.935 0.151 1.00 0.00 N ATOM 243 CA ARG A 13 9.544 -1.740 -0.786 1.00 0.00 C ATOM 244 C ARG A 13 10.648 -0.892 -0.162 1.00 0.00 C ATOM 245 O ARG A 13 11.578 -0.502 -0.900 1.00 0.00 O ATOM 246 CB ARG A 13 9.045 -1.078 -2.073 1.00 0.00 C ATOM 247 CG ARG A 13 8.458 0.305 -1.862 1.00 0.00 C ATOM 248 CD ARG A 13 8.099 0.958 -3.185 1.00 0.00 C ATOM 249 NE ARG A 13 7.093 0.194 -3.919 1.00 0.00 N ATOM 250 CZ ARG A 13 6.626 0.548 -5.114 1.00 0.00 C ATOM 251 NH1 ARG A 13 7.074 1.647 -5.707 1.00 0.00 N ATOM 252 NH2 ARG A 13 5.710 -0.199 -5.717 1.00 0.00 N ATOM 0 H ARG A 13 7.548 -1.562 -0.166 1.00 0.00 H new ATOM 0 HA ARG A 13 9.954 -2.721 -1.028 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.873 -1.007 -2.779 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.290 -1.717 -2.530 1.00 0.00 H new ATOM 0 HG2 ARG A 13 7.569 0.234 -1.236 1.00 0.00 H new ATOM 0 HG3 ARG A 13 9.174 0.929 -1.328 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.726 1.966 -3.002 1.00 0.00 H new ATOM 0 HD3 ARG A 13 8.996 1.056 -3.796 1.00 0.00 H new ATOM 0 HE ARG A 13 6.728 -0.658 -3.492 1.00 0.00 H new ATOM 0 HH11 ARG A 13 7.779 2.224 -5.247 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.714 1.915 -6.623 1.00 0.00 H new ATOM 0 HH21 ARG A 13 5.363 -1.045 -5.265 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.352 0.073 -6.633 1.00 0.00 H new HETATM 266 N NH2 A 14 10.332 0.004 0.765 1.00 0.00 N TER 269 NH2 A 14