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+ -150:sc= -0.127 (180deg=-0.651) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 17.413 -6.384 -0.798 1.00 0.00 N ATOM 2 CA VAL A 1 18.720 -5.834 -1.242 1.00 0.00 C ATOM 3 C VAL A 1 19.077 -4.571 -0.466 1.00 0.00 C ATOM 4 O VAL A 1 18.206 -3.911 0.099 1.00 0.00 O ATOM 5 CB VAL A 1 18.706 -5.506 -2.747 1.00 0.00 C ATOM 6 CG1 VAL A 1 20.102 -5.142 -3.227 1.00 0.00 C ATOM 7 CG2 VAL A 1 18.149 -6.676 -3.543 1.00 0.00 C ATOM 0 H1 VAL A 1 17.412 -7.417 -0.918 1.00 0.00 H new ATOM 0 H2 VAL A 1 17.261 -6.152 0.204 1.00 0.00 H new ATOM 0 H3 VAL A 1 16.650 -5.969 -1.369 1.00 0.00 H new ATOM 0 HA VAL A 1 19.469 -6.602 -1.048 1.00 0.00 H new ATOM 0 HB VAL A 1 18.056 -4.646 -2.907 1.00 0.00 H new ATOM 0 HG11 VAL A 1 20.072 -4.913 -4.292 1.00 0.00 H new ATOM 0 HG12 VAL A 1 20.460 -4.270 -2.679 1.00 0.00 H new ATOM 0 HG13 VAL A 1 20.776 -5.981 -3.054 1.00 0.00 H new ATOM 0 HG21 VAL A 1 18.147 -6.426 -4.604 1.00 0.00 H new ATOM 0 HG22 VAL A 1 18.770 -7.556 -3.379 1.00 0.00 H new ATOM 0 HG23 VAL A 1 17.130 -6.885 -3.217 1.00 0.00 H new ATOM 19 N ARG A 2 20.364 -4.243 -0.444 1.00 0.00 N ATOM 20 CA ARG A 2 20.839 -3.059 0.264 1.00 0.00 C ATOM 21 C ARG A 2 20.465 -1.789 -0.486 1.00 0.00 C ATOM 22 O ARG A 2 20.259 -1.804 -1.700 1.00 0.00 O ATOM 23 CB ARG A 2 22.356 -3.124 0.454 1.00 0.00 C ATOM 24 CG ARG A 2 23.114 -3.474 -0.816 1.00 0.00 C ATOM 25 CD ARG A 2 24.540 -2.948 -0.777 1.00 0.00 C ATOM 26 NE ARG A 2 25.439 -3.742 -1.610 1.00 0.00 N ATOM 27 CZ ARG A 2 26.631 -3.319 -2.028 1.00 0.00 C ATOM 28 NH1 ARG A 2 27.070 -2.113 -1.692 1.00 0.00 N ATOM 29 NH2 ARG A 2 27.386 -4.106 -2.782 1.00 0.00 N ATOM 0 H ARG A 2 21.097 -4.780 -0.908 1.00 0.00 H new ATOM 0 HA ARG A 2 20.358 -3.037 1.242 1.00 0.00 H new ATOM 0 HB2 ARG A 2 22.709 -2.161 0.824 1.00 0.00 H new ATOM 0 HB3 ARG A 2 22.586 -3.864 1.220 1.00 0.00 H new ATOM 0 HG2 ARG A 2 23.128 -4.556 -0.946 1.00 0.00 H new ATOM 0 HG3 ARG A 2 22.594 -3.056 -1.678 1.00 0.00 H new ATOM 0 HD2 ARG A 2 24.554 -1.912 -1.115 1.00 0.00 H new ATOM 0 HD3 ARG A 2 24.900 -2.953 0.252 1.00 0.00 H new ATOM 0 HE ARG A 2 25.136 -4.676 -1.888 1.00 0.00 H new ATOM 0 HH11 ARG A 2 26.494 -1.504 -1.111 1.00 0.00 H new ATOM 0 HH12 ARG A 2 27.984 -1.795 -2.015 1.00 0.00 H new ATOM 0 HH21 ARG A 2 27.054 -5.035 -3.042 1.00 0.00 H new ATOM 0 HH22 ARG A 2 28.299 -3.783 -3.102 1.00 0.00 H new ATOM 43 N ARG A 3 20.375 -0.693 0.252 1.00 0.00 N ATOM 44 CA ARG A 3 20.022 0.595 -0.324 1.00 0.00 C ATOM 45 C ARG A 3 21.240 1.510 -0.382 1.00 0.00 C ATOM 46 O ARG A 3 21.500 2.271 0.550 1.00 0.00 O ATOM 47 CB ARG A 3 18.915 1.243 0.505 1.00 0.00 C ATOM 48 CG ARG A 3 18.497 2.616 0.003 1.00 0.00 C ATOM 49 CD ARG A 3 18.486 3.643 1.125 1.00 0.00 C ATOM 50 NE ARG A 3 17.372 4.581 0.998 1.00 0.00 N ATOM 51 CZ ARG A 3 17.368 5.617 0.162 1.00 0.00 C ATOM 52 NH1 ARG A 3 18.413 5.850 -0.624 1.00 0.00 N ATOM 53 NH2 ARG A 3 16.316 6.422 0.110 1.00 0.00 N ATOM 0 H ARG A 3 20.543 -0.671 1.258 1.00 0.00 H new ATOM 0 HA ARG A 3 19.664 0.438 -1.342 1.00 0.00 H new ATOM 0 HB2 ARG A 3 18.045 0.587 0.508 1.00 0.00 H new ATOM 0 HB3 ARG A 3 19.251 1.331 1.538 1.00 0.00 H new ATOM 0 HG2 ARG A 3 19.180 2.941 -0.782 1.00 0.00 H new ATOM 0 HG3 ARG A 3 17.505 2.554 -0.444 1.00 0.00 H new ATOM 0 HD2 ARG A 3 18.421 3.131 2.085 1.00 0.00 H new ATOM 0 HD3 ARG A 3 19.426 4.194 1.121 1.00 0.00 H new ATOM 0 HE ARG A 3 16.550 4.433 1.584 1.00 0.00 H new ATOM 0 HH11 ARG A 3 19.225 5.233 -0.589 1.00 0.00 H new ATOM 0 HH12 ARG A 3 18.404 6.645 -1.262 1.00 0.00 H new ATOM 0 HH21 ARG A 3 15.510 6.247 0.710 1.00 0.00 H new ATOM 0 HH22 ARG A 3 16.312 7.216 -0.530 1.00 0.00 H new ATOM 67 N PHE A 4 21.985 1.420 -1.485 1.00 0.00 N ATOM 68 CA PHE A 4 23.184 2.212 -1.694 1.00 0.00 C ATOM 69 C PHE A 4 23.075 3.616 -1.093 1.00 0.00 C ATOM 70 O PHE A 4 22.558 4.542 -1.718 1.00 0.00 O ATOM 71 CB PHE A 4 23.473 2.284 -3.193 1.00 0.00 C ATOM 72 CG PHE A 4 22.705 3.355 -3.921 1.00 0.00 C ATOM 73 CD1 PHE A 4 21.333 3.254 -4.080 1.00 0.00 C ATOM 74 CD2 PHE A 4 23.358 4.462 -4.440 1.00 0.00 C ATOM 75 CE1 PHE A 4 20.624 4.236 -4.747 1.00 0.00 C ATOM 76 CE2 PHE A 4 22.655 5.448 -5.108 1.00 0.00 C ATOM 77 CZ PHE A 4 21.287 5.334 -5.262 1.00 0.00 C ATOM 0 H PHE A 4 21.767 0.791 -2.258 1.00 0.00 H new ATOM 0 HA PHE A 4 24.009 1.724 -1.176 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.540 2.456 -3.338 1.00 0.00 H new ATOM 0 HB3 PHE A 4 23.242 1.318 -3.643 1.00 0.00 H new ATOM 0 HD1 PHE A 4 20.811 2.398 -3.678 1.00 0.00 H new ATOM 0 HD2 PHE A 4 24.427 4.556 -4.321 1.00 0.00 H new ATOM 0 HE1 PHE A 4 19.554 4.145 -4.865 1.00 0.00 H new ATOM 0 HE2 PHE A 4 23.175 6.306 -5.509 1.00 0.00 H new ATOM 0 HZ PHE A 4 20.736 6.102 -5.784 1.00 0.00 H new ATOM 87 N PRO A 5 23.576 3.790 0.135 1.00 0.00 N ATOM 88 CA PRO A 5 23.548 5.084 0.813 1.00 0.00 C ATOM 89 C PRO A 5 24.502 6.081 0.156 1.00 0.00 C ATOM 90 O PRO A 5 24.722 6.032 -1.053 1.00 0.00 O ATOM 91 CB PRO A 5 23.985 4.731 2.241 1.00 0.00 C ATOM 92 CG PRO A 5 24.823 3.514 2.092 1.00 0.00 C ATOM 93 CD PRO A 5 24.218 2.743 0.954 1.00 0.00 C ATOM 0 HA PRO A 5 22.573 5.571 0.774 1.00 0.00 H new ATOM 0 HB2 PRO A 5 24.549 5.546 2.695 1.00 0.00 H new ATOM 0 HB3 PRO A 5 23.124 4.542 2.883 1.00 0.00 H new ATOM 0 HG2 PRO A 5 25.860 3.776 1.881 1.00 0.00 H new ATOM 0 HG3 PRO A 5 24.824 2.924 3.009 1.00 0.00 H new ATOM 0 HD2 PRO A 5 24.975 2.199 0.389 1.00 0.00 H new ATOM 0 HD3 PRO A 5 23.494 2.008 1.306 1.00 0.00 H new ATOM 101 N TRP A 6 25.076 6.967 0.955 1.00 0.00 N ATOM 102 CA TRP A 6 26.025 7.951 0.460 1.00 0.00 C ATOM 103 C TRP A 6 27.351 7.769 1.185 1.00 0.00 C ATOM 104 O TRP A 6 28.261 8.591 1.076 1.00 0.00 O ATOM 105 CB TRP A 6 25.497 9.378 0.655 1.00 0.00 C ATOM 106 CG TRP A 6 24.762 9.587 1.947 1.00 0.00 C ATOM 107 CD1 TRP A 6 23.707 8.859 2.420 1.00 0.00 C ATOM 108 CD2 TRP A 6 25.018 10.602 2.924 1.00 0.00 C ATOM 109 NE1 TRP A 6 23.300 9.353 3.635 1.00 0.00 N ATOM 110 CE2 TRP A 6 24.088 10.425 3.965 1.00 0.00 C ATOM 111 CE3 TRP A 6 25.949 11.642 3.022 1.00 0.00 C ATOM 112 CZ2 TRP A 6 24.060 11.248 5.087 1.00 0.00 C ATOM 113 CZ3 TRP A 6 25.920 12.458 4.136 1.00 0.00 C ATOM 114 CH2 TRP A 6 24.981 12.257 5.156 1.00 0.00 C ATOM 0 H TRP A 6 24.899 7.024 1.958 1.00 0.00 H new ATOM 0 HA TRP A 6 26.168 7.799 -0.610 1.00 0.00 H new ATOM 0 HB2 TRP A 6 26.335 10.074 0.609 1.00 0.00 H new ATOM 0 HB3 TRP A 6 24.832 9.625 -0.173 1.00 0.00 H new ATOM 0 HD1 TRP A 6 23.259 8.018 1.912 1.00 0.00 H new ATOM 0 HE1 TRP A 6 22.536 8.983 4.200 1.00 0.00 H new ATOM 0 HE3 TRP A 6 26.677 11.804 2.241 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 23.337 11.095 5.875 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 26.633 13.264 4.222 1.00 0.00 H new ATOM 0 HH2 TRP A 6 24.984 12.912 6.015 1.00 0.00 H new ATOM 125 N TRP A 7 27.437 6.668 1.931 1.00 0.00 N ATOM 126 CA TRP A 7 28.624 6.333 2.694 1.00 0.00 C ATOM 127 C TRP A 7 29.072 4.899 2.396 1.00 0.00 C ATOM 128 O TRP A 7 30.060 4.421 2.955 1.00 0.00 O ATOM 129 CB TRP A 7 28.333 6.501 4.184 1.00 0.00 C ATOM 130 CG TRP A 7 27.263 5.579 4.684 1.00 0.00 C ATOM 131 CD1 TRP A 7 25.930 5.855 4.790 1.00 0.00 C ATOM 132 CD2 TRP A 7 27.432 4.233 5.145 1.00 0.00 C ATOM 133 NE1 TRP A 7 25.260 4.763 5.288 1.00 0.00 N ATOM 134 CE2 TRP A 7 26.161 3.755 5.514 1.00 0.00 C ATOM 135 CE3 TRP A 7 28.536 3.386 5.281 1.00 0.00 C ATOM 136 CZ2 TRP A 7 25.963 2.469 6.008 1.00 0.00 C ATOM 137 CZ3 TRP A 7 28.338 2.109 5.772 1.00 0.00 C ATOM 138 CH2 TRP A 7 27.061 1.661 6.131 1.00 0.00 C ATOM 0 H TRP A 7 26.682 5.988 2.019 1.00 0.00 H new ATOM 0 HA TRP A 7 29.433 7.005 2.406 1.00 0.00 H new ATOM 0 HB2 TRP A 7 29.249 6.325 4.749 1.00 0.00 H new ATOM 0 HB3 TRP A 7 28.034 7.532 4.375 1.00 0.00 H new ATOM 0 HD1 TRP A 7 25.469 6.794 4.522 1.00 0.00 H new ATOM 0 HE1 TRP A 7 24.256 4.711 5.461 1.00 0.00 H new ATOM 0 HE3 TRP A 7 29.525 3.723 5.008 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 24.979 2.121 6.284 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 29.183 1.445 5.881 1.00 0.00 H new ATOM 0 HH2 TRP A 7 26.940 0.658 6.513 1.00 0.00 H new ATOM 149 N TRP A 8 28.342 4.220 1.507 1.00 0.00 N ATOM 150 CA TRP A 8 28.657 2.860 1.125 1.00 0.00 C ATOM 151 C TRP A 8 29.939 2.785 0.284 1.00 0.00 C ATOM 152 O TRP A 8 30.661 1.796 0.355 1.00 0.00 O ATOM 153 CB TRP A 8 27.475 2.275 0.346 1.00 0.00 C ATOM 154 CG TRP A 8 27.703 2.211 -1.127 1.00 0.00 C ATOM 155 CD1 TRP A 8 28.302 1.216 -1.819 1.00 0.00 C ATOM 156 CD2 TRP A 8 27.344 3.201 -2.072 1.00 0.00 C ATOM 157 NE1 TRP A 8 28.318 1.514 -3.162 1.00 0.00 N ATOM 158 CE2 TRP A 8 27.734 2.740 -3.340 1.00 0.00 C ATOM 159 CE3 TRP A 8 26.724 4.432 -1.959 1.00 0.00 C ATOM 160 CZ2 TRP A 8 27.514 3.482 -4.497 1.00 0.00 C ATOM 161 CZ3 TRP A 8 26.508 5.173 -3.096 1.00 0.00 C ATOM 162 CH2 TRP A 8 26.898 4.699 -4.357 1.00 0.00 C ATOM 0 H TRP A 8 27.521 4.604 1.039 1.00 0.00 H new ATOM 0 HA TRP A 8 28.833 2.279 2.030 1.00 0.00 H new ATOM 0 HB2 TRP A 8 27.267 1.271 0.717 1.00 0.00 H new ATOM 0 HB3 TRP A 8 26.588 2.877 0.542 1.00 0.00 H new ATOM 0 HD1 TRP A 8 28.709 0.317 -1.381 1.00 0.00 H new ATOM 0 HE1 TRP A 8 28.700 0.922 -3.900 1.00 0.00 H new ATOM 0 HE3 TRP A 8 26.415 4.805 -0.994 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 27.816 3.114 -5.466 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 26.029 6.138 -3.017 1.00 0.00 H new ATOM 0 HH2 TRP A 8 26.710 5.303 -5.233 1.00 0.00 H new ATOM 173 N PRO A 9 30.232 3.805 -0.555 1.00 0.00 N ATOM 174 CA PRO A 9 31.402 3.819 -1.415 1.00 0.00 C ATOM 175 C PRO A 9 32.649 3.191 -0.784 1.00 0.00 C ATOM 176 O PRO A 9 33.317 2.358 -1.399 1.00 0.00 O ATOM 177 CB PRO A 9 31.641 5.319 -1.678 1.00 0.00 C ATOM 178 CG PRO A 9 30.541 6.035 -0.962 1.00 0.00 C ATOM 179 CD PRO A 9 29.457 5.020 -0.791 1.00 0.00 C ATOM 0 HA PRO A 9 31.227 3.224 -2.311 1.00 0.00 H new ATOM 0 HB2 PRO A 9 32.617 5.631 -1.307 1.00 0.00 H new ATOM 0 HB3 PRO A 9 31.621 5.538 -2.746 1.00 0.00 H new ATOM 0 HG2 PRO A 9 30.880 6.414 0.002 1.00 0.00 H new ATOM 0 HG3 PRO A 9 30.190 6.892 -1.536 1.00 0.00 H new ATOM 0 HD2 PRO A 9 28.801 5.257 0.046 1.00 0.00 H new ATOM 0 HD3 PRO A 9 28.827 4.939 -1.677 1.00 0.00 H new ATOM 187 N PHE A 10 32.969 3.618 0.436 1.00 0.00 N ATOM 188 CA PHE A 10 34.151 3.126 1.146 1.00 0.00 C ATOM 189 C PHE A 10 34.033 1.649 1.531 1.00 0.00 C ATOM 190 O PHE A 10 35.005 1.046 1.986 1.00 0.00 O ATOM 191 CB PHE A 10 34.392 3.965 2.403 1.00 0.00 C ATOM 192 CG PHE A 10 34.256 5.443 2.173 1.00 0.00 C ATOM 193 CD1 PHE A 10 35.020 6.081 1.210 1.00 0.00 C ATOM 194 CD2 PHE A 10 33.362 6.194 2.920 1.00 0.00 C ATOM 195 CE1 PHE A 10 34.896 7.441 0.995 1.00 0.00 C ATOM 196 CE2 PHE A 10 33.233 7.554 2.710 1.00 0.00 C ATOM 197 CZ PHE A 10 34.001 8.178 1.746 1.00 0.00 C ATOM 0 H PHE A 10 32.425 4.306 0.956 1.00 0.00 H new ATOM 0 HA PHE A 10 34.995 3.219 0.463 1.00 0.00 H new ATOM 0 HB2 PHE A 10 33.686 3.659 3.175 1.00 0.00 H new ATOM 0 HB3 PHE A 10 35.391 3.755 2.784 1.00 0.00 H new ATOM 0 HD1 PHE A 10 35.721 5.509 0.620 1.00 0.00 H new ATOM 0 HD2 PHE A 10 32.759 5.711 3.675 1.00 0.00 H new ATOM 0 HE1 PHE A 10 35.498 7.926 0.241 1.00 0.00 H new ATOM 0 HE2 PHE A 10 32.533 8.128 3.299 1.00 0.00 H new ATOM 0 HZ PHE A 10 33.902 9.241 1.580 1.00 0.00 H new ATOM 207 N LEU A 11 32.851 1.069 1.353 1.00 0.00 N ATOM 208 CA LEU A 11 32.632 -0.337 1.691 1.00 0.00 C ATOM 209 C LEU A 11 33.675 -1.234 1.026 1.00 0.00 C ATOM 210 O LEU A 11 34.568 -0.753 0.329 1.00 0.00 O ATOM 211 CB LEU A 11 31.231 -0.778 1.263 1.00 0.00 C ATOM 212 CG LEU A 11 30.095 -0.453 2.244 1.00 0.00 C ATOM 213 CD1 LEU A 11 30.400 0.797 3.062 1.00 0.00 C ATOM 214 CD2 LEU A 11 28.787 -0.283 1.487 1.00 0.00 C ATOM 0 H LEU A 11 32.031 1.547 0.978 1.00 0.00 H new ATOM 0 HA LEU A 11 32.727 -0.435 2.772 1.00 0.00 H new ATOM 0 HB2 LEU A 11 31.002 -0.312 0.305 1.00 0.00 H new ATOM 0 HB3 LEU A 11 31.245 -1.855 1.098 1.00 0.00 H new ATOM 0 HG LEU A 11 30.003 -1.287 2.939 1.00 0.00 H new ATOM 0 HD11 LEU A 11 29.574 0.996 3.745 1.00 0.00 H new ATOM 0 HD12 LEU A 11 31.315 0.643 3.634 1.00 0.00 H new ATOM 0 HD13 LEU A 11 30.530 1.647 2.392 1.00 0.00 H new ATOM 0 HD21 LEU A 11 27.987 -0.053 2.190 1.00 0.00 H new ATOM 0 HD22 LEU A 11 28.885 0.532 0.770 1.00 0.00 H new ATOM 0 HD23 LEU A 11 28.550 -1.206 0.958 1.00 0.00 H new ATOM 226 N ARG A 12 33.550 -2.538 1.247 1.00 0.00 N ATOM 227 CA ARG A 12 34.477 -3.505 0.670 1.00 0.00 C ATOM 228 C ARG A 12 33.862 -4.183 -0.550 1.00 0.00 C ATOM 229 O ARG A 12 34.114 -5.360 -0.812 1.00 0.00 O ATOM 230 CB ARG A 12 34.864 -4.557 1.711 1.00 0.00 C ATOM 231 CG ARG A 12 33.680 -5.106 2.491 1.00 0.00 C ATOM 232 CD ARG A 12 33.749 -6.620 2.624 1.00 0.00 C ATOM 233 NE ARG A 12 33.384 -7.068 3.966 1.00 0.00 N ATOM 234 CZ ARG A 12 32.167 -6.931 4.488 1.00 0.00 C ATOM 235 NH1 ARG A 12 31.197 -6.358 3.787 1.00 0.00 N ATOM 236 NH2 ARG A 12 31.920 -7.369 5.715 1.00 0.00 N ATOM 0 H ARG A 12 32.815 -2.950 1.822 1.00 0.00 H new ATOM 0 HA ARG A 12 35.373 -2.970 0.355 1.00 0.00 H new ATOM 0 HB2 ARG A 12 35.372 -5.381 1.211 1.00 0.00 H new ATOM 0 HB3 ARG A 12 35.577 -4.120 2.410 1.00 0.00 H new ATOM 0 HG2 ARG A 12 33.656 -4.654 3.483 1.00 0.00 H new ATOM 0 HG3 ARG A 12 32.753 -4.826 1.991 1.00 0.00 H new ATOM 0 HD2 ARG A 12 33.082 -7.079 1.894 1.00 0.00 H new ATOM 0 HD3 ARG A 12 34.758 -6.959 2.390 1.00 0.00 H new ATOM 0 HE ARG A 12 34.104 -7.512 4.536 1.00 0.00 H new ATOM 0 HH11 ARG A 12 31.382 -6.020 2.843 1.00 0.00 H new ATOM 0 HH12 ARG A 12 30.267 -6.256 4.192 1.00 0.00 H new ATOM 0 HH21 ARG A 12 32.662 -7.810 6.258 1.00 0.00 H new ATOM 0 HH22 ARG A 12 30.988 -7.264 6.116 1.00 0.00 H new ATOM 250 N ARG A 13 33.056 -3.434 -1.294 1.00 0.00 N ATOM 251 CA ARG A 13 32.405 -3.962 -2.487 1.00 0.00 C ATOM 252 C ARG A 13 31.638 -2.866 -3.219 1.00 0.00 C ATOM 253 O ARG A 13 31.079 -1.980 -2.539 1.00 0.00 O ATOM 254 CB ARG A 13 31.455 -5.102 -2.112 1.00 0.00 C ATOM 255 CG ARG A 13 31.021 -5.947 -3.299 1.00 0.00 C ATOM 256 CD ARG A 13 31.994 -7.086 -3.558 1.00 0.00 C ATOM 257 NE ARG A 13 31.466 -8.372 -3.107 1.00 0.00 N ATOM 258 CZ ARG A 13 30.578 -9.090 -3.792 1.00 0.00 C ATOM 259 NH1 ARG A 13 30.119 -8.655 -4.959 1.00 0.00 N ATOM 260 NH2 ARG A 13 30.150 -10.249 -3.309 1.00 0.00 N ATOM 261 OXT ARG A 13 31.606 -2.901 -4.467 1.00 0.00 O ATOM 0 H ARG A 13 32.838 -2.458 -1.092 1.00 0.00 H new ATOM 0 HA ARG A 13 33.178 -4.346 -3.153 1.00 0.00 H new ATOM 0 HB2 ARG A 13 31.943 -5.744 -1.378 1.00 0.00 H new ATOM 0 HB3 ARG A 13 30.571 -4.684 -1.631 1.00 0.00 H new ATOM 0 HG2 ARG A 13 30.026 -6.352 -3.114 1.00 0.00 H new ATOM 0 HG3 ARG A 13 30.950 -5.319 -4.187 1.00 0.00 H new ATOM 0 HD2 ARG A 13 32.215 -7.139 -4.624 1.00 0.00 H new ATOM 0 HD3 ARG A 13 32.935 -6.882 -3.048 1.00 0.00 H new ATOM 0 HE ARG A 13 31.797 -8.741 -2.216 1.00 0.00 H new ATOM 0 HH11 ARG A 13 30.446 -7.766 -5.336 1.00 0.00 H new ATOM 0 HH12 ARG A 13 29.439 -9.210 -5.478 1.00 0.00 H new ATOM 0 HH21 ARG A 13 30.501 -10.589 -2.414 1.00 0.00 H new ATOM 0 HH22 ARG A 13 29.470 -10.800 -3.833 1.00 0.00 H new TER 275 ARG A 13