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+ 164:sc= -0.0203 (180deg=-0.207) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -6.926 5.249 -0.331 1.00 0.00 N ATOM 2 CA VAL A 1 -5.846 4.304 0.052 1.00 0.00 C ATOM 3 C VAL A 1 -6.307 3.386 1.187 1.00 0.00 C ATOM 4 O VAL A 1 -5.588 3.160 2.162 1.00 0.00 O ATOM 5 CB VAL A 1 -4.567 5.067 0.470 1.00 0.00 C ATOM 6 CG1 VAL A 1 -4.815 5.902 1.719 1.00 0.00 C ATOM 7 CG2 VAL A 1 -3.401 4.107 0.674 1.00 0.00 C ATOM 0 H1 VAL A 1 -6.524 6.025 -0.894 1.00 0.00 H new ATOM 0 H2 VAL A 1 -7.643 4.748 -0.894 1.00 0.00 H new ATOM 0 H3 VAL A 1 -7.369 5.637 0.527 1.00 0.00 H new ATOM 0 HA VAL A 1 -5.613 3.692 -0.819 1.00 0.00 H new ATOM 0 HB VAL A 1 -4.301 5.747 -0.339 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -3.901 6.429 1.992 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -5.605 6.626 1.522 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -5.117 5.250 2.539 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -2.514 4.669 0.967 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -3.652 3.391 1.456 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -3.202 3.574 -0.256 1.00 0.00 H new ATOM 19 N ARG A 2 -7.518 2.852 1.051 1.00 0.00 N ATOM 20 CA ARG A 2 -8.072 1.958 2.061 1.00 0.00 C ATOM 21 C ARG A 2 -7.185 0.730 2.226 1.00 0.00 C ATOM 22 O ARG A 2 -6.723 0.428 3.326 1.00 0.00 O ATOM 23 CB ARG A 2 -9.494 1.523 1.686 1.00 0.00 C ATOM 24 CG ARG A 2 -10.514 2.655 1.678 1.00 0.00 C ATOM 25 CD ARG A 2 -10.295 3.609 0.514 1.00 0.00 C ATOM 26 NE ARG A 2 -10.409 2.931 -0.775 1.00 0.00 N ATOM 27 CZ ARG A 2 -10.233 3.535 -1.946 1.00 0.00 C ATOM 28 NH1 ARG A 2 -9.927 4.826 -1.993 1.00 0.00 N ATOM 29 NH2 ARG A 2 -10.361 2.848 -3.073 1.00 0.00 N ATOM 0 H ARG A 2 -8.132 3.023 0.254 1.00 0.00 H new ATOM 0 HA ARG A 2 -8.112 2.501 3.005 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -9.472 1.062 0.698 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -9.824 0.757 2.388 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -11.519 2.237 1.621 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -10.451 3.207 2.616 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -11.025 4.417 0.565 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -9.308 4.064 0.599 1.00 0.00 H new ATOM 0 HE ARG A 2 -10.637 1.937 -0.777 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -9.826 5.358 -1.129 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -9.793 5.286 -2.894 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -10.595 1.856 -3.042 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -10.226 3.312 -3.971 1.00 0.00 H new ATOM 43 N ARG A 3 -6.945 0.032 1.121 1.00 0.00 N ATOM 44 CA ARG A 3 -6.104 -1.158 1.136 1.00 0.00 C ATOM 45 C ARG A 3 -4.647 -0.786 0.916 1.00 0.00 C ATOM 46 O ARG A 3 -3.762 -1.243 1.631 1.00 0.00 O ATOM 47 CB ARG A 3 -6.547 -2.140 0.053 1.00 0.00 C ATOM 48 CG ARG A 3 -7.995 -2.569 0.178 1.00 0.00 C ATOM 49 CD ARG A 3 -8.391 -3.525 -0.935 1.00 0.00 C ATOM 50 NE ARG A 3 -7.624 -4.767 -0.888 1.00 0.00 N ATOM 51 CZ ARG A 3 -7.749 -5.747 -1.779 1.00 0.00 C ATOM 52 NH1 ARG A 3 -8.593 -5.621 -2.795 1.00 0.00 N ATOM 53 NH2 ARG A 3 -7.026 -6.851 -1.656 1.00 0.00 N ATOM 0 H ARG A 3 -7.322 0.271 0.204 1.00 0.00 H new ATOM 0 HA ARG A 3 -6.208 -1.631 2.113 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -6.396 -1.682 -0.925 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -5.910 -3.024 0.093 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -8.151 -3.049 1.144 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -8.639 -1.690 0.151 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -9.454 -3.752 -0.857 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -8.239 -3.041 -1.900 1.00 0.00 H new ATOM 0 HE ARG A 3 -6.954 -4.890 -0.129 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -9.148 -4.771 -2.894 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -8.687 -6.374 -3.477 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -6.374 -6.949 -0.878 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -7.122 -7.602 -2.339 1.00 0.00 H new ATOM 67 N PHE A 4 -4.412 0.044 -0.090 1.00 0.00 N ATOM 68 CA PHE A 4 -3.067 0.489 -0.441 1.00 0.00 C ATOM 69 C PHE A 4 -2.263 0.852 0.788 1.00 0.00 C ATOM 70 O PHE A 4 -1.046 0.708 0.818 1.00 0.00 O ATOM 71 CB PHE A 4 -3.152 1.681 -1.388 1.00 0.00 C ATOM 72 CG PHE A 4 -3.820 1.349 -2.690 1.00 0.00 C ATOM 73 CD1 PHE A 4 -4.270 0.064 -2.937 1.00 0.00 C ATOM 74 CD2 PHE A 4 -4.024 2.322 -3.649 1.00 0.00 C ATOM 75 CE1 PHE A 4 -4.906 -0.251 -4.112 1.00 0.00 C ATOM 76 CE2 PHE A 4 -4.658 2.015 -4.836 1.00 0.00 C ATOM 77 CZ PHE A 4 -5.103 0.725 -5.070 1.00 0.00 C ATOM 0 H PHE A 4 -5.145 0.428 -0.686 1.00 0.00 H new ATOM 0 HA PHE A 4 -2.555 -0.335 -0.937 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.700 2.487 -0.900 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -2.147 2.053 -1.586 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -4.118 -0.704 -2.193 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.685 3.331 -3.469 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -5.252 -1.259 -4.287 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.807 2.781 -5.582 1.00 0.00 H new ATOM 0 HZ PHE A 4 -5.602 0.483 -5.997 1.00 0.00 H new ATOM 87 N ALA A 5 -2.947 1.332 1.795 1.00 0.00 N ATOM 88 CA ALA A 5 -2.295 1.728 3.019 1.00 0.00 C ATOM 89 C ALA A 5 -1.408 0.615 3.583 1.00 0.00 C ATOM 90 O ALA A 5 -0.290 0.877 4.027 1.00 0.00 O ATOM 91 CB ALA A 5 -3.344 2.155 4.023 1.00 0.00 C ATOM 0 H ALA A 5 -3.959 1.459 1.792 1.00 0.00 H new ATOM 0 HA ALA A 5 -1.634 2.568 2.805 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.858 2.456 4.951 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -3.911 2.995 3.622 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.019 1.322 4.220 1.00 0.00 H new ATOM 97 N TRP A 6 -1.905 -0.623 3.575 1.00 0.00 N ATOM 98 CA TRP A 6 -1.132 -1.747 4.101 1.00 0.00 C ATOM 99 C TRP A 6 -0.218 -2.383 3.051 1.00 0.00 C ATOM 100 O TRP A 6 0.253 -3.502 3.256 1.00 0.00 O ATOM 101 CB TRP A 6 -2.055 -2.822 4.691 1.00 0.00 C ATOM 102 CG TRP A 6 -3.151 -3.228 3.765 1.00 0.00 C ATOM 103 CD1 TRP A 6 -4.454 -2.872 3.872 1.00 0.00 C ATOM 104 CD2 TRP A 6 -3.048 -4.041 2.585 1.00 0.00 C ATOM 105 NE1 TRP A 6 -5.171 -3.406 2.838 1.00 0.00 N ATOM 106 CE2 TRP A 6 -4.331 -4.127 2.027 1.00 0.00 C ATOM 107 CE3 TRP A 6 -1.999 -4.697 1.945 1.00 0.00 C ATOM 108 CZ2 TRP A 6 -4.589 -4.840 0.852 1.00 0.00 C ATOM 109 CZ3 TRP A 6 -2.247 -5.389 0.770 1.00 0.00 C ATOM 110 CH2 TRP A 6 -3.526 -5.452 0.234 1.00 0.00 C ATOM 0 H TRP A 6 -2.827 -0.870 3.215 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.499 -1.335 4.887 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -1.462 -3.700 4.948 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -2.491 -2.449 5.618 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -4.866 -2.257 4.659 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -6.173 -3.287 2.692 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -1.002 -4.667 2.360 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -5.587 -4.907 0.445 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -1.433 -5.887 0.264 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -3.688 -5.993 -0.687 1.00 0.00 H new ATOM 121 N TRP A 7 0.039 -1.702 1.926 1.00 0.00 N ATOM 122 CA TRP A 7 0.894 -2.308 0.901 1.00 0.00 C ATOM 123 C TRP A 7 1.385 -1.359 -0.174 1.00 0.00 C ATOM 124 O TRP A 7 2.541 -1.433 -0.575 1.00 0.00 O ATOM 125 CB TRP A 7 0.160 -3.437 0.247 1.00 0.00 C ATOM 126 CG TRP A 7 -0.910 -2.971 -0.659 1.00 0.00 C ATOM 127 CD1 TRP A 7 -2.181 -2.583 -0.361 1.00 0.00 C ATOM 128 CD2 TRP A 7 -0.767 -2.846 -2.035 1.00 0.00 C ATOM 129 NE1 TRP A 7 -2.843 -2.254 -1.507 1.00 0.00 N ATOM 130 CE2 TRP A 7 -1.981 -2.398 -2.549 1.00 0.00 C ATOM 131 CE3 TRP A 7 0.289 -3.080 -2.878 1.00 0.00 C ATOM 132 CZ2 TRP A 7 -2.166 -2.180 -3.886 1.00 0.00 C ATOM 133 CZ3 TRP A 7 0.118 -2.863 -4.201 1.00 0.00 C ATOM 134 CH2 TRP A 7 -1.104 -2.412 -4.711 1.00 0.00 C ATOM 0 H TRP A 7 -0.316 -0.771 1.709 1.00 0.00 H new ATOM 0 HA TRP A 7 1.784 -2.647 1.432 1.00 0.00 H new ATOM 0 HB2 TRP A 7 0.867 -4.047 -0.315 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -0.273 -4.077 1.015 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -2.601 -2.542 0.633 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -3.815 -1.952 -1.571 1.00 0.00 H new ATOM 0 HE3 TRP A 7 1.236 -3.430 -2.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -3.114 -1.838 -4.274 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 0.941 -3.041 -4.878 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -1.208 -2.245 -5.773 1.00 0.00 H new ATOM 145 N TRP A 8 0.535 -0.494 -0.675 1.00 0.00 N ATOM 146 CA TRP A 8 0.973 0.418 -1.705 1.00 0.00 C ATOM 147 C TRP A 8 2.269 1.038 -1.234 1.00 0.00 C ATOM 148 O TRP A 8 3.192 1.280 -2.012 1.00 0.00 O ATOM 149 CB TRP A 8 -0.086 1.470 -1.957 1.00 0.00 C ATOM 150 CG TRP A 8 0.179 2.787 -1.310 1.00 0.00 C ATOM 151 CD1 TRP A 8 -0.354 3.265 -0.154 1.00 0.00 C ATOM 152 CD2 TRP A 8 1.029 3.803 -1.814 1.00 0.00 C ATOM 153 NE1 TRP A 8 0.099 4.541 0.080 1.00 0.00 N ATOM 154 CE2 TRP A 8 0.954 4.892 -0.931 1.00 0.00 C ATOM 155 CE3 TRP A 8 1.842 3.887 -2.938 1.00 0.00 C ATOM 156 CZ2 TRP A 8 1.663 6.066 -1.144 1.00 0.00 C ATOM 157 CZ3 TRP A 8 2.551 5.053 -3.152 1.00 0.00 C ATOM 158 CH2 TRP A 8 2.452 6.131 -2.258 1.00 0.00 C ATOM 0 H TRP A 8 -0.441 -0.402 -0.395 1.00 0.00 H new ATOM 0 HA TRP A 8 1.133 -0.103 -2.649 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -0.180 1.621 -3.032 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -1.045 1.093 -1.603 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -1.033 2.722 0.486 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -0.158 5.128 0.873 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.918 3.060 -3.628 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 1.594 6.896 -0.456 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 3.190 5.137 -4.019 1.00 0.00 H new ATOM 0 HH2 TRP A 8 3.013 7.033 -2.455 1.00 0.00 H new ATOM 169 N ALA A 9 2.331 1.233 0.077 1.00 0.00 N ATOM 170 CA ALA A 9 3.510 1.758 0.711 1.00 0.00 C ATOM 171 C ALA A 9 4.568 0.653 0.744 1.00 0.00 C ATOM 172 O ALA A 9 5.743 0.881 0.463 1.00 0.00 O ATOM 173 CB ALA A 9 3.180 2.250 2.110 1.00 0.00 C ATOM 0 H ALA A 9 1.564 1.030 0.718 1.00 0.00 H new ATOM 0 HA ALA A 9 3.896 2.610 0.151 1.00 0.00 H new ATOM 0 HB1 ALA A 9 4.081 2.645 2.579 1.00 0.00 H new ATOM 0 HB2 ALA A 9 2.427 3.036 2.051 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.794 1.422 2.705 1.00 0.00 H new ATOM 179 N PHE A 10 4.095 -0.562 1.047 1.00 0.00 N ATOM 180 CA PHE A 10 4.925 -1.770 1.081 1.00 0.00 C ATOM 181 C PHE A 10 5.804 -1.824 -0.170 1.00 0.00 C ATOM 182 O PHE A 10 6.968 -2.219 -0.112 1.00 0.00 O ATOM 183 CB PHE A 10 3.980 -2.997 1.184 1.00 0.00 C ATOM 184 CG PHE A 10 4.477 -4.307 0.628 1.00 0.00 C ATOM 185 CD1 PHE A 10 5.789 -4.719 0.802 1.00 0.00 C ATOM 186 CD2 PHE A 10 3.601 -5.138 -0.074 1.00 0.00 C ATOM 187 CE1 PHE A 10 6.225 -5.927 0.290 1.00 0.00 C ATOM 188 CE2 PHE A 10 4.036 -6.346 -0.585 1.00 0.00 C ATOM 189 CZ PHE A 10 5.348 -6.740 -0.404 1.00 0.00 C ATOM 0 H PHE A 10 3.116 -0.735 1.277 1.00 0.00 H new ATOM 0 HA PHE A 10 5.593 -1.768 1.942 1.00 0.00 H new ATOM 0 HB2 PHE A 10 3.739 -3.148 2.236 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.048 -2.748 0.676 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.479 -4.089 1.344 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.575 -4.834 -0.219 1.00 0.00 H new ATOM 0 HE1 PHE A 10 7.250 -6.235 0.432 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.351 -6.982 -1.126 1.00 0.00 H new ATOM 0 HZ PHE A 10 5.689 -7.683 -0.805 1.00 0.00 H new ATOM 199 N LEU A 11 5.236 -1.396 -1.293 1.00 0.00 N ATOM 200 CA LEU A 11 5.954 -1.365 -2.563 1.00 0.00 C ATOM 201 C LEU A 11 7.073 -0.331 -2.520 1.00 0.00 C ATOM 202 O LEU A 11 8.206 -0.604 -2.916 1.00 0.00 O ATOM 203 CB LEU A 11 4.994 -1.003 -3.691 1.00 0.00 C ATOM 204 CG LEU A 11 3.705 -1.816 -3.736 1.00 0.00 C ATOM 205 CD1 LEU A 11 2.693 -1.133 -4.639 1.00 0.00 C ATOM 206 CD2 LEU A 11 3.983 -3.234 -4.214 1.00 0.00 C ATOM 0 H LEU A 11 4.273 -1.063 -1.349 1.00 0.00 H new ATOM 0 HA LEU A 11 6.382 -2.352 -2.738 1.00 0.00 H new ATOM 0 HB2 LEU A 11 4.736 0.052 -3.601 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.514 -1.124 -4.641 1.00 0.00 H new ATOM 0 HG LEU A 11 3.291 -1.875 -2.729 1.00 0.00 H new ATOM 0 HD11 LEU A 11 1.775 -1.720 -4.666 1.00 0.00 H new ATOM 0 HD12 LEU A 11 2.476 -0.137 -4.254 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.101 -1.051 -5.646 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.051 -3.799 -4.239 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.416 -3.203 -5.214 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.682 -3.718 -3.531 1.00 0.00 H new ATOM 218 N ARG A 12 6.728 0.863 -2.044 1.00 0.00 N ATOM 219 CA ARG A 12 7.677 1.966 -1.949 1.00 0.00 C ATOM 220 C ARG A 12 8.960 1.521 -1.257 1.00 0.00 C ATOM 221 O ARG A 12 10.064 1.791 -1.733 1.00 0.00 O ATOM 222 CB ARG A 12 7.055 3.121 -1.168 1.00 0.00 C ATOM 223 CG ARG A 12 5.690 3.537 -1.670 1.00 0.00 C ATOM 224 CD ARG A 12 5.156 4.714 -0.873 1.00 0.00 C ATOM 225 NE ARG A 12 5.153 4.442 0.562 1.00 0.00 N ATOM 226 CZ ARG A 12 4.757 5.319 1.480 1.00 0.00 C ATOM 227 NH1 ARG A 12 4.326 6.519 1.115 1.00 0.00 N ATOM 228 NH2 ARG A 12 4.792 4.995 2.765 1.00 0.00 N ATOM 0 H ARG A 12 5.790 1.091 -1.716 1.00 0.00 H new ATOM 0 HA ARG A 12 7.920 2.294 -2.960 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.974 2.835 -0.119 1.00 0.00 H new ATOM 0 HB3 ARG A 12 7.725 3.980 -1.213 1.00 0.00 H new ATOM 0 HG2 ARG A 12 5.752 3.805 -2.725 1.00 0.00 H new ATOM 0 HG3 ARG A 12 4.999 2.698 -1.594 1.00 0.00 H new ATOM 0 HD2 ARG A 12 5.765 5.595 -1.074 1.00 0.00 H new ATOM 0 HD3 ARG A 12 4.143 4.945 -1.201 1.00 0.00 H new ATOM 0 HE ARG A 12 5.473 3.527 0.878 1.00 0.00 H new ATOM 0 HH11 ARG A 12 4.297 6.772 0.127 1.00 0.00 H new ATOM 0 HH12 ARG A 12 4.023 7.189 1.822 1.00 0.00 H new ATOM 0 HH21 ARG A 12 5.123 4.073 3.050 1.00 0.00 H new ATOM 0 HH22 ARG A 12 4.488 5.668 3.469 1.00 0.00 H new ATOM 242 N ARG A 13 8.800 0.836 -0.130 1.00 0.00 N ATOM 243 CA ARG A 13 9.932 0.342 0.643 1.00 0.00 C ATOM 244 C ARG A 13 10.840 -0.537 -0.213 1.00 0.00 C ATOM 245 O ARG A 13 12.061 -0.549 0.047 1.00 0.00 O ATOM 246 CB ARG A 13 9.435 -0.448 1.856 1.00 0.00 C ATOM 247 CG ARG A 13 8.950 0.419 3.011 1.00 0.00 C ATOM 248 CD ARG A 13 7.741 1.256 2.624 1.00 0.00 C ATOM 249 NE ARG A 13 7.173 1.966 3.768 1.00 0.00 N ATOM 250 CZ ARG A 13 6.635 1.359 4.822 1.00 0.00 C ATOM 251 NH1 ARG A 13 6.583 0.034 4.878 1.00 0.00 N ATOM 252 NH2 ARG A 13 6.142 2.078 5.821 1.00 0.00 N ATOM 0 H ARG A 13 7.890 0.609 0.270 1.00 0.00 H new ATOM 0 HA ARG A 13 10.510 1.201 0.984 1.00 0.00 H new ATOM 0 HB2 ARG A 13 8.622 -1.102 1.541 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.241 -1.090 2.212 1.00 0.00 H new ATOM 0 HG2 ARG A 13 8.695 -0.216 3.859 1.00 0.00 H new ATOM 0 HG3 ARG A 13 9.757 1.076 3.336 1.00 0.00 H new ATOM 0 HD2 ARG A 13 8.030 1.976 1.858 1.00 0.00 H new ATOM 0 HD3 ARG A 13 6.980 0.611 2.184 1.00 0.00 H new ATOM 0 HE ARG A 13 7.190 2.986 3.758 1.00 0.00 H new ATOM 0 HH11 ARG A 13 6.957 -0.524 4.110 1.00 0.00 H new ATOM 0 HH12 ARG A 13 6.169 -0.426 5.689 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.175 3.097 5.781 1.00 0.00 H new ATOM 0 HH22 ARG A 13 5.729 1.612 6.629 1.00 0.00 H new HETATM 266 N NH2 A 14 10.300 -1.474 -0.982 1.00 0.00 N TER 269 NH2 A 14