USER MOD reduce.3.24.130724 H: found=0, std=0, add=134, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 136 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+ 174:sc= -0.57 (180deg=-0.621) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -6.992 4.055 2.024 1.00 0.00 N ATOM 2 CA VAL A 1 -6.162 2.968 2.602 1.00 0.00 C ATOM 3 C VAL A 1 -7.031 1.868 3.205 1.00 0.00 C ATOM 4 O VAL A 1 -6.722 1.329 4.269 1.00 0.00 O ATOM 5 CB VAL A 1 -5.208 3.512 3.684 1.00 0.00 C ATOM 6 CG1 VAL A 1 -4.211 4.484 3.074 1.00 0.00 C ATOM 7 CG2 VAL A 1 -5.992 4.179 4.805 1.00 0.00 C ATOM 0 H1 VAL A 1 -6.377 4.834 1.713 1.00 0.00 H new ATOM 0 H2 VAL A 1 -7.525 3.689 1.209 1.00 0.00 H new ATOM 0 H3 VAL A 1 -7.656 4.405 2.744 1.00 0.00 H new ATOM 0 HA VAL A 1 -5.574 2.548 1.786 1.00 0.00 H new ATOM 0 HB VAL A 1 -4.655 2.674 4.108 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -3.545 4.858 3.852 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -3.625 3.973 2.310 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -4.747 5.319 2.622 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -5.300 4.556 5.558 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -6.574 5.007 4.400 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -6.664 3.452 5.261 1.00 0.00 H new ATOM 19 N ARG A 2 -8.117 1.533 2.514 1.00 0.00 N ATOM 20 CA ARG A 2 -9.028 0.491 2.975 1.00 0.00 C ATOM 21 C ARG A 2 -8.294 -0.837 3.120 1.00 0.00 C ATOM 22 O ARG A 2 -8.555 -1.610 4.042 1.00 0.00 O ATOM 23 CB ARG A 2 -10.197 0.334 2.000 1.00 0.00 C ATOM 24 CG ARG A 2 -9.767 -0.050 0.594 1.00 0.00 C ATOM 25 CD ARG A 2 -10.963 -0.325 -0.301 1.00 0.00 C ATOM 26 NE ARG A 2 -11.825 0.845 -0.440 1.00 0.00 N ATOM 27 CZ ARG A 2 -12.937 0.860 -1.169 1.00 0.00 C ATOM 28 NH1 ARG A 2 -13.326 -0.231 -1.815 1.00 0.00 N ATOM 29 NH2 ARG A 2 -13.662 1.967 -1.252 1.00 0.00 N ATOM 0 H ARG A 2 -8.387 1.969 1.632 1.00 0.00 H new ATOM 0 HA ARG A 2 -9.417 0.786 3.950 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -10.879 -0.425 2.383 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -10.753 1.271 1.958 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -9.167 0.752 0.164 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -9.132 -0.935 0.636 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -10.614 -0.637 -1.286 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -11.540 -1.153 0.110 1.00 0.00 H new ATOM 0 HE ARG A 2 -11.559 1.699 0.050 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -12.772 -1.085 -1.753 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -14.180 -0.216 -2.373 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -13.367 2.808 -0.756 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -14.515 1.977 -1.812 1.00 0.00 H new ATOM 43 N ARG A 3 -7.376 -1.092 2.195 1.00 0.00 N ATOM 44 CA ARG A 3 -6.593 -2.321 2.198 1.00 0.00 C ATOM 45 C ARG A 3 -5.154 -2.030 1.785 1.00 0.00 C ATOM 46 O ARG A 3 -4.209 -2.586 2.345 1.00 0.00 O ATOM 47 CB ARG A 3 -7.217 -3.346 1.250 1.00 0.00 C ATOM 48 CG ARG A 3 -8.626 -3.760 1.639 1.00 0.00 C ATOM 49 CD ARG A 3 -9.249 -4.668 0.592 1.00 0.00 C ATOM 50 NE ARG A 3 -9.378 -4.002 -0.701 1.00 0.00 N ATOM 51 CZ ARG A 3 -9.908 -4.576 -1.777 1.00 0.00 C ATOM 52 NH1 ARG A 3 -10.356 -5.822 -1.715 1.00 0.00 N ATOM 53 NH2 ARG A 3 -9.991 -3.902 -2.917 1.00 0.00 N ATOM 0 H ARG A 3 -7.155 -0.458 1.427 1.00 0.00 H new ATOM 0 HA ARG A 3 -6.591 -2.732 3.207 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -7.235 -2.932 0.242 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -6.583 -4.232 1.219 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -8.603 -4.274 2.600 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -9.245 -2.872 1.767 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -8.638 -5.564 0.479 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -10.232 -4.993 0.932 1.00 0.00 H new ATOM 0 HE ARG A 3 -9.043 -3.042 -0.784 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -10.295 -6.343 -0.840 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -10.762 -6.260 -2.542 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -9.648 -2.943 -2.968 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -10.398 -4.343 -3.742 1.00 0.00 H new ATOM 67 N PHE A 4 -5.000 -1.141 0.807 1.00 0.00 N ATOM 68 CA PHE A 4 -3.682 -0.751 0.315 1.00 0.00 C ATOM 69 C PHE A 4 -3.670 0.739 -0.009 1.00 0.00 C ATOM 70 O PHE A 4 -4.626 1.267 -0.577 1.00 0.00 O ATOM 71 CB PHE A 4 -3.300 -1.542 -0.937 1.00 0.00 C ATOM 72 CG PHE A 4 -3.754 -2.978 -0.930 1.00 0.00 C ATOM 73 CD1 PHE A 4 -5.035 -3.313 -1.338 1.00 0.00 C ATOM 74 CD2 PHE A 4 -2.902 -3.989 -0.516 1.00 0.00 C ATOM 75 CE1 PHE A 4 -5.457 -4.629 -1.335 1.00 0.00 C ATOM 76 CE2 PHE A 4 -3.319 -5.307 -0.510 1.00 0.00 C ATOM 77 CZ PHE A 4 -4.598 -5.628 -0.920 1.00 0.00 C ATOM 0 H PHE A 4 -5.776 -0.675 0.338 1.00 0.00 H new ATOM 0 HA PHE A 4 -2.955 -0.968 1.097 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.724 -1.044 -1.809 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -2.216 -1.517 -1.051 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -5.712 -2.536 -1.662 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.900 -3.745 -0.194 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -6.458 -4.876 -1.657 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.645 -6.085 -0.185 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.926 -6.657 -0.916 1.00 0.00 H new ATOM 87 N PRO A 5 -2.584 1.439 0.349 1.00 0.00 N ATOM 88 CA PRO A 5 -2.454 2.868 0.095 1.00 0.00 C ATOM 89 C PRO A 5 -2.070 3.165 -1.355 1.00 0.00 C ATOM 90 O PRO A 5 -2.912 3.105 -2.252 1.00 0.00 O ATOM 91 CB PRO A 5 -1.356 3.300 1.069 1.00 0.00 C ATOM 92 CG PRO A 5 -0.519 2.083 1.283 1.00 0.00 C ATOM 93 CD PRO A 5 -1.398 0.884 1.024 1.00 0.00 C ATOM 0 HA PRO A 5 -3.391 3.405 0.241 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -0.764 4.117 0.657 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.781 3.656 2.008 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.339 2.083 0.611 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -0.127 2.060 2.300 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -0.893 0.148 0.398 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -1.668 0.381 1.953 1.00 0.00 H new ATOM 101 N TRP A 6 -0.800 3.489 -1.576 1.00 0.00 N ATOM 102 CA TRP A 6 -0.300 3.802 -2.910 1.00 0.00 C ATOM 103 C TRP A 6 1.217 3.932 -2.874 1.00 0.00 C ATOM 104 O TRP A 6 1.917 3.510 -3.795 1.00 0.00 O ATOM 105 CB TRP A 6 -0.937 5.097 -3.417 1.00 0.00 C ATOM 106 CG TRP A 6 -0.738 6.256 -2.488 1.00 0.00 C ATOM 107 CD1 TRP A 6 -1.347 6.452 -1.281 1.00 0.00 C ATOM 108 CD2 TRP A 6 0.116 7.386 -2.695 1.00 0.00 C ATOM 109 NE1 TRP A 6 -0.916 7.630 -0.721 1.00 0.00 N ATOM 110 CE2 TRP A 6 -0.019 8.223 -1.571 1.00 0.00 C ATOM 111 CE3 TRP A 6 0.985 7.770 -3.720 1.00 0.00 C ATOM 112 CZ2 TRP A 6 0.682 9.420 -1.445 1.00 0.00 C ATOM 113 CZ3 TRP A 6 1.680 8.959 -3.595 1.00 0.00 C ATOM 114 CH2 TRP A 6 1.525 9.771 -2.464 1.00 0.00 C ATOM 0 H TRP A 6 -0.094 3.542 -0.842 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.566 2.995 -3.593 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -0.516 5.344 -4.391 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -2.005 4.936 -3.563 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -2.063 5.779 -0.833 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -1.215 8.003 0.180 1.00 0.00 H new ATOM 0 HE3 TRP A 6 1.112 7.149 -4.594 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 0.564 10.048 -0.575 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 2.353 9.266 -4.382 1.00 0.00 H new ATOM 0 HH2 TRP A 6 2.083 10.693 -2.395 1.00 0.00 H new ATOM 125 N TRP A 7 1.707 4.514 -1.788 1.00 0.00 N ATOM 126 CA TRP A 7 3.135 4.714 -1.578 1.00 0.00 C ATOM 127 C TRP A 7 3.825 3.412 -1.189 1.00 0.00 C ATOM 128 O TRP A 7 5.023 3.405 -0.903 1.00 0.00 O ATOM 129 CB TRP A 7 3.341 5.748 -0.465 1.00 0.00 C ATOM 130 CG TRP A 7 2.555 5.441 0.784 1.00 0.00 C ATOM 131 CD1 TRP A 7 1.519 6.170 1.294 1.00 0.00 C ATOM 132 CD2 TRP A 7 2.741 4.334 1.685 1.00 0.00 C ATOM 133 NE1 TRP A 7 1.041 5.580 2.440 1.00 0.00 N ATOM 134 CE2 TRP A 7 1.776 4.454 2.701 1.00 0.00 C ATOM 135 CE3 TRP A 7 3.623 3.252 1.730 1.00 0.00 C ATOM 136 CZ2 TRP A 7 1.673 3.533 3.744 1.00 0.00 C ATOM 137 CZ3 TRP A 7 3.520 2.342 2.758 1.00 0.00 C ATOM 138 CH2 TRP A 7 2.553 2.485 3.752 1.00 0.00 C ATOM 0 H TRP A 7 1.125 4.862 -1.026 1.00 0.00 H new ATOM 0 HA TRP A 7 3.573 5.068 -2.511 1.00 0.00 H new ATOM 0 HB2 TRP A 7 4.401 5.798 -0.216 1.00 0.00 H new ATOM 0 HB3 TRP A 7 3.053 6.732 -0.835 1.00 0.00 H new ATOM 0 HD1 TRP A 7 1.131 7.079 0.859 1.00 0.00 H new ATOM 0 HE1 TRP A 7 0.265 5.925 3.005 1.00 0.00 H new ATOM 0 HE3 TRP A 7 4.377 3.131 0.967 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 0.926 3.643 4.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 4.200 1.503 2.795 1.00 0.00 H new ATOM 0 HH2 TRP A 7 2.497 1.754 4.545 1.00 0.00 H new ATOM 149 N TRP A 8 3.059 2.322 -1.131 1.00 0.00 N ATOM 150 CA TRP A 8 3.593 1.032 -0.721 1.00 0.00 C ATOM 151 C TRP A 8 4.708 0.536 -1.631 1.00 0.00 C ATOM 152 O TRP A 8 5.534 1.317 -2.103 1.00 0.00 O ATOM 153 CB TRP A 8 2.463 0.003 -0.609 1.00 0.00 C ATOM 154 CG TRP A 8 1.480 0.037 -1.737 1.00 0.00 C ATOM 155 CD1 TRP A 8 0.307 0.724 -1.753 1.00 0.00 C ATOM 156 CD2 TRP A 8 1.548 -0.669 -2.984 1.00 0.00 C ATOM 157 NE1 TRP A 8 -0.351 0.516 -2.937 1.00 0.00 N ATOM 158 CE2 TRP A 8 0.388 -0.338 -3.709 1.00 0.00 C ATOM 159 CE3 TRP A 8 2.476 -1.538 -3.564 1.00 0.00 C ATOM 160 CZ2 TRP A 8 0.131 -0.847 -4.978 1.00 0.00 C ATOM 161 CZ3 TRP A 8 2.218 -2.044 -4.823 1.00 0.00 C ATOM 162 CH2 TRP A 8 1.055 -1.697 -5.517 1.00 0.00 C ATOM 0 H TRP A 8 2.066 2.312 -1.364 1.00 0.00 H new ATOM 0 HA TRP A 8 4.046 1.167 0.261 1.00 0.00 H new ATOM 0 HB2 TRP A 8 2.900 -0.994 -0.555 1.00 0.00 H new ATOM 0 HB3 TRP A 8 1.929 0.168 0.327 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.055 1.345 -0.947 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.245 0.930 -3.200 1.00 0.00 H new ATOM 0 HE3 TRP A 8 3.379 -1.809 -3.037 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -0.766 -0.580 -5.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 2.927 -2.719 -5.279 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.883 -2.110 -6.500 1.00 0.00 H new ATOM 173 N ALA A 9 4.753 -0.772 -1.833 1.00 0.00 N ATOM 174 CA ALA A 9 5.794 -1.382 -2.639 1.00 0.00 C ATOM 175 C ALA A 9 7.133 -1.219 -1.930 1.00 0.00 C ATOM 176 O ALA A 9 8.177 -1.039 -2.557 1.00 0.00 O ATOM 177 CB ALA A 9 5.836 -0.776 -4.036 1.00 0.00 C ATOM 0 H ALA A 9 4.077 -1.432 -1.447 1.00 0.00 H new ATOM 0 HA ALA A 9 5.577 -2.444 -2.758 1.00 0.00 H new ATOM 0 HB1 ALA A 9 6.626 -1.253 -4.616 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.877 -0.934 -4.530 1.00 0.00 H new ATOM 0 HB3 ALA A 9 6.035 0.293 -3.963 1.00 0.00 H new ATOM 183 N PHE A 10 7.070 -1.284 -0.602 1.00 0.00 N ATOM 184 CA PHE A 10 8.242 -1.147 0.253 1.00 0.00 C ATOM 185 C PHE A 10 8.087 -2.048 1.471 1.00 0.00 C ATOM 186 O PHE A 10 8.951 -2.874 1.768 1.00 0.00 O ATOM 187 CB PHE A 10 8.400 0.310 0.703 1.00 0.00 C ATOM 188 CG PHE A 10 9.606 0.552 1.570 1.00 0.00 C ATOM 189 CD1 PHE A 10 10.867 0.146 1.159 1.00 0.00 C ATOM 190 CD2 PHE A 10 9.478 1.185 2.797 1.00 0.00 C ATOM 191 CE1 PHE A 10 11.976 0.367 1.954 1.00 0.00 C ATOM 192 CE2 PHE A 10 10.584 1.408 3.596 1.00 0.00 C ATOM 193 CZ PHE A 10 11.834 0.999 3.174 1.00 0.00 C ATOM 0 H PHE A 10 6.201 -1.434 -0.089 1.00 0.00 H new ATOM 0 HA PHE A 10 9.130 -1.440 -0.307 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.465 0.948 -0.179 1.00 0.00 H new ATOM 0 HB3 PHE A 10 7.506 0.611 1.249 1.00 0.00 H new ATOM 0 HD1 PHE A 10 10.984 -0.349 0.206 1.00 0.00 H new ATOM 0 HD2 PHE A 10 8.503 1.507 3.132 1.00 0.00 H new ATOM 0 HE1 PHE A 10 12.952 0.046 1.622 1.00 0.00 H new ATOM 0 HE2 PHE A 10 10.471 1.902 4.550 1.00 0.00 H new ATOM 0 HZ PHE A 10 12.699 1.173 3.797 1.00 0.00 H new ATOM 203 N LEU A 11 6.957 -1.894 2.152 1.00 0.00 N ATOM 204 CA LEU A 11 6.640 -2.699 3.322 1.00 0.00 C ATOM 205 C LEU A 11 5.446 -3.590 3.013 1.00 0.00 C ATOM 206 O LEU A 11 5.339 -4.712 3.508 1.00 0.00 O ATOM 207 CB LEU A 11 6.359 -1.803 4.537 1.00 0.00 C ATOM 208 CG LEU A 11 5.259 -0.747 4.359 1.00 0.00 C ATOM 209 CD1 LEU A 11 3.877 -1.364 4.527 1.00 0.00 C ATOM 210 CD2 LEU A 11 5.458 0.393 5.345 1.00 0.00 C ATOM 0 H LEU A 11 6.239 -1.211 1.909 1.00 0.00 H new ATOM 0 HA LEU A 11 7.496 -3.328 3.568 1.00 0.00 H new ATOM 0 HB2 LEU A 11 6.089 -2.441 5.378 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.283 -1.293 4.808 1.00 0.00 H new ATOM 0 HG LEU A 11 5.329 -0.350 3.346 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.116 -0.594 4.396 1.00 0.00 H new ATOM 0 HD12 LEU A 11 3.734 -2.146 3.781 1.00 0.00 H new ATOM 0 HD13 LEU A 11 3.789 -1.794 5.525 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.671 1.134 5.208 1.00 0.00 H new ATOM 0 HD22 LEU A 11 5.417 0.005 6.363 1.00 0.00 H new ATOM 0 HD23 LEU A 11 6.429 0.858 5.173 1.00 0.00 H new ATOM 222 N ARG A 12 4.555 -3.068 2.178 1.00 0.00 N ATOM 223 CA ARG A 12 3.358 -3.784 1.767 1.00 0.00 C ATOM 224 C ARG A 12 3.702 -4.916 0.803 1.00 0.00 C ATOM 225 O ARG A 12 3.395 -6.080 1.062 1.00 0.00 O ATOM 226 CB ARG A 12 2.380 -2.798 1.123 1.00 0.00 C ATOM 227 CG ARG A 12 1.307 -3.440 0.267 1.00 0.00 C ATOM 228 CD ARG A 12 0.106 -2.525 0.111 1.00 0.00 C ATOM 229 NE ARG A 12 -0.411 -2.084 1.406 1.00 0.00 N ATOM 230 CZ ARG A 12 -0.953 -2.900 2.307 1.00 0.00 C ATOM 231 NH1 ARG A 12 -1.080 -4.195 2.048 1.00 0.00 N ATOM 232 NH2 ARG A 12 -1.371 -2.418 3.470 1.00 0.00 N ATOM 0 H ARG A 12 4.644 -2.138 1.769 1.00 0.00 H new ATOM 0 HA ARG A 12 2.891 -4.234 2.644 1.00 0.00 H new ATOM 0 HB2 ARG A 12 1.899 -2.218 1.910 1.00 0.00 H new ATOM 0 HB3 ARG A 12 2.944 -2.096 0.509 1.00 0.00 H new ATOM 0 HG2 ARG A 12 1.716 -3.678 -0.715 1.00 0.00 H new ATOM 0 HG3 ARG A 12 0.994 -4.381 0.718 1.00 0.00 H new ATOM 0 HD2 ARG A 12 0.386 -1.656 -0.484 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -0.680 -3.046 -0.436 1.00 0.00 H new ATOM 0 HE ARG A 12 -0.353 -1.091 1.632 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.761 -4.570 1.155 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -1.496 -4.816 2.742 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.277 -1.423 3.673 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -1.787 -3.043 4.161 1.00 0.00 H new ATOM 246 N ARG A 13 4.347 -4.566 -0.304 1.00 0.00 N ATOM 247 CA ARG A 13 4.743 -5.549 -1.305 1.00 0.00 C ATOM 248 C ARG A 13 6.069 -6.206 -0.934 1.00 0.00 C ATOM 249 O ARG A 13 6.190 -7.434 -1.128 1.00 0.00 O ATOM 250 CB ARG A 13 4.847 -4.891 -2.682 1.00 0.00 C ATOM 251 CG ARG A 13 3.702 -5.243 -3.622 1.00 0.00 C ATOM 252 CD ARG A 13 2.340 -4.945 -3.009 1.00 0.00 C ATOM 253 NE ARG A 13 1.255 -5.274 -3.929 1.00 0.00 N ATOM 254 CZ ARG A 13 -0.034 -5.128 -3.638 1.00 0.00 C ATOM 255 NH1 ARG A 13 -0.403 -4.656 -2.456 1.00 0.00 N ATOM 256 NH2 ARG A 13 -0.956 -5.455 -4.534 1.00 0.00 N ATOM 0 H ARG A 13 4.607 -3.606 -0.531 1.00 0.00 H new ATOM 0 HA ARG A 13 3.977 -6.324 -1.339 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.880 -3.809 -2.555 1.00 0.00 H new ATOM 0 HB3 ARG A 13 5.788 -5.187 -3.145 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.811 -4.682 -4.550 1.00 0.00 H new ATOM 0 HG3 ARG A 13 3.759 -6.300 -3.880 1.00 0.00 H new ATOM 0 HD2 ARG A 13 2.222 -5.515 -2.087 1.00 0.00 H new ATOM 0 HD3 ARG A 13 2.284 -3.890 -2.741 1.00 0.00 H new ATOM 0 HE ARG A 13 1.501 -5.638 -4.850 1.00 0.00 H new ATOM 0 HH11 ARG A 13 0.303 -4.403 -1.765 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -1.393 -4.546 -2.237 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -0.676 -5.818 -5.445 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -1.945 -5.343 -4.312 1.00 0.00 H new HETATM 270 N NH2 A 14 6.771 -5.724 0.084 1.00 0.00 N TER 273 NH2 A 14