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+ 141:sc= 0.0425 (180deg=-0.216) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 16.845 -1.249 -7.409 1.00 0.00 N ATOM 2 CA VAL A 1 16.807 -0.756 -6.008 1.00 0.00 C ATOM 3 C VAL A 1 18.217 -0.532 -5.467 1.00 0.00 C ATOM 4 O VAL A 1 19.185 -1.095 -5.978 1.00 0.00 O ATOM 5 CB VAL A 1 16.064 -1.747 -5.087 1.00 0.00 C ATOM 6 CG1 VAL A 1 16.764 -3.098 -5.073 1.00 0.00 C ATOM 7 CG2 VAL A 1 15.943 -1.183 -3.678 1.00 0.00 C ATOM 0 H1 VAL A 1 16.106 -1.968 -7.544 1.00 0.00 H new ATOM 0 H2 VAL A 1 16.679 -0.456 -8.061 1.00 0.00 H new ATOM 0 H3 VAL A 1 17.776 -1.669 -7.604 1.00 0.00 H new ATOM 0 HA VAL A 1 16.270 0.193 -6.017 1.00 0.00 H new ATOM 0 HB VAL A 1 15.058 -1.892 -5.481 1.00 0.00 H new ATOM 0 HG11 VAL A 1 16.224 -3.781 -4.418 1.00 0.00 H new ATOM 0 HG12 VAL A 1 16.787 -3.506 -6.083 1.00 0.00 H new ATOM 0 HG13 VAL A 1 17.784 -2.976 -4.708 1.00 0.00 H new ATOM 0 HG21 VAL A 1 15.416 -1.897 -3.044 1.00 0.00 H new ATOM 0 HG22 VAL A 1 16.938 -1.002 -3.272 1.00 0.00 H new ATOM 0 HG23 VAL A 1 15.388 -0.245 -3.708 1.00 0.00 H new ATOM 19 N ARG A 2 18.323 0.295 -4.432 1.00 0.00 N ATOM 20 CA ARG A 2 19.613 0.594 -3.822 1.00 0.00 C ATOM 21 C ARG A 2 19.720 -0.036 -2.439 1.00 0.00 C ATOM 22 O ARG A 2 18.713 -0.393 -1.827 1.00 0.00 O ATOM 23 CB ARG A 2 19.816 2.108 -3.725 1.00 0.00 C ATOM 24 CG ARG A 2 21.227 2.556 -4.075 1.00 0.00 C ATOM 25 CD ARG A 2 21.217 3.787 -4.967 1.00 0.00 C ATOM 26 NE ARG A 2 22.555 4.349 -5.139 1.00 0.00 N ATOM 27 CZ ARG A 2 23.511 3.779 -5.870 1.00 0.00 C ATOM 28 NH1 ARG A 2 23.282 2.631 -6.496 1.00 0.00 N ATOM 29 NH2 ARG A 2 24.699 4.359 -5.976 1.00 0.00 N ATOM 0 H ARG A 2 17.531 0.770 -3.998 1.00 0.00 H new ATOM 0 HA ARG A 2 20.393 0.170 -4.454 1.00 0.00 H new ATOM 0 HB2 ARG A 2 19.110 2.604 -4.391 1.00 0.00 H new ATOM 0 HB3 ARG A 2 19.581 2.434 -2.712 1.00 0.00 H new ATOM 0 HG2 ARG A 2 21.778 2.773 -3.160 1.00 0.00 H new ATOM 0 HG3 ARG A 2 21.753 1.745 -4.579 1.00 0.00 H new ATOM 0 HD2 ARG A 2 20.806 3.525 -5.942 1.00 0.00 H new ATOM 0 HD3 ARG A 2 20.559 4.542 -4.536 1.00 0.00 H new ATOM 0 HE ARG A 2 22.769 5.230 -4.672 1.00 0.00 H new ATOM 0 HH11 ARG A 2 22.370 2.181 -6.418 1.00 0.00 H new ATOM 0 HH12 ARG A 2 24.018 2.199 -7.055 1.00 0.00 H new ATOM 0 HH21 ARG A 2 24.880 5.241 -5.498 1.00 0.00 H new ATOM 0 HH22 ARG A 2 25.431 3.923 -6.536 1.00 0.00 H new ATOM 43 N ARG A 3 20.949 -0.173 -1.954 1.00 0.00 N ATOM 44 CA ARG A 3 21.192 -0.765 -0.645 1.00 0.00 C ATOM 45 C ARG A 3 22.234 0.032 0.141 1.00 0.00 C ATOM 46 O ARG A 3 22.726 -0.428 1.170 1.00 0.00 O ATOM 47 CB ARG A 3 21.657 -2.212 -0.806 1.00 0.00 C ATOM 48 CG ARG A 3 21.626 -3.012 0.488 1.00 0.00 C ATOM 49 CD ARG A 3 20.591 -4.125 0.432 1.00 0.00 C ATOM 50 NE ARG A 3 19.278 -3.633 0.028 1.00 0.00 N ATOM 51 CZ ARG A 3 18.433 -3.011 0.848 1.00 0.00 C ATOM 52 NH1 ARG A 3 18.765 -2.802 2.117 1.00 0.00 N ATOM 53 NH2 ARG A 3 17.257 -2.598 0.400 1.00 0.00 N ATOM 0 H ARG A 3 21.792 0.118 -2.448 1.00 0.00 H new ATOM 0 HA ARG A 3 20.257 -0.743 -0.086 1.00 0.00 H new ATOM 0 HB2 ARG A 3 21.026 -2.707 -1.544 1.00 0.00 H new ATOM 0 HB3 ARG A 3 22.673 -2.216 -1.201 1.00 0.00 H new ATOM 0 HG2 ARG A 3 22.611 -3.439 0.676 1.00 0.00 H new ATOM 0 HG3 ARG A 3 21.402 -2.347 1.322 1.00 0.00 H new ATOM 0 HD2 ARG A 3 20.922 -4.892 -0.268 1.00 0.00 H new ATOM 0 HD3 ARG A 3 20.515 -4.598 1.411 1.00 0.00 H new ATOM 0 HE ARG A 3 18.990 -3.774 -0.940 1.00 0.00 H new ATOM 0 HH11 ARG A 3 19.670 -3.118 2.466 1.00 0.00 H new ATOM 0 HH12 ARG A 3 18.115 -2.325 2.742 1.00 0.00 H new ATOM 0 HH21 ARG A 3 16.998 -2.756 -0.574 1.00 0.00 H new ATOM 0 HH22 ARG A 3 16.610 -2.122 1.029 1.00 0.00 H new ATOM 67 N PHE A 4 22.565 1.228 -0.355 1.00 0.00 N ATOM 68 CA PHE A 4 23.539 2.100 0.273 1.00 0.00 C ATOM 69 C PHE A 4 23.492 2.025 1.802 1.00 0.00 C ATOM 70 O PHE A 4 22.688 2.695 2.450 1.00 0.00 O ATOM 71 CB PHE A 4 23.302 3.530 -0.206 1.00 0.00 C ATOM 72 CG PHE A 4 22.206 4.254 0.530 1.00 0.00 C ATOM 73 CD1 PHE A 4 20.920 3.741 0.559 1.00 0.00 C ATOM 74 CD2 PHE A 4 22.466 5.442 1.195 1.00 0.00 C ATOM 75 CE1 PHE A 4 19.911 4.401 1.235 1.00 0.00 C ATOM 76 CE2 PHE A 4 21.461 6.106 1.873 1.00 0.00 C ATOM 77 CZ PHE A 4 20.182 5.585 1.893 1.00 0.00 C ATOM 0 H PHE A 4 22.158 1.612 -1.208 1.00 0.00 H new ATOM 0 HA PHE A 4 24.535 1.767 -0.019 1.00 0.00 H new ATOM 0 HB2 PHE A 4 24.229 4.094 -0.102 1.00 0.00 H new ATOM 0 HB3 PHE A 4 23.059 3.510 -1.268 1.00 0.00 H new ATOM 0 HD1 PHE A 4 20.703 2.815 0.048 1.00 0.00 H new ATOM 0 HD2 PHE A 4 23.465 5.853 1.183 1.00 0.00 H new ATOM 0 HE1 PHE A 4 18.912 3.991 1.249 1.00 0.00 H new ATOM 0 HE2 PHE A 4 21.676 7.031 2.387 1.00 0.00 H new ATOM 0 HZ PHE A 4 19.395 6.102 2.422 1.00 0.00 H new ATOM 87 N PRO A 5 24.366 1.208 2.396 1.00 0.00 N ATOM 88 CA PRO A 5 24.429 1.059 3.848 1.00 0.00 C ATOM 89 C PRO A 5 24.953 2.327 4.519 1.00 0.00 C ATOM 90 O PRO A 5 24.733 3.432 4.027 1.00 0.00 O ATOM 91 CB PRO A 5 25.390 -0.123 4.031 1.00 0.00 C ATOM 92 CG PRO A 5 26.249 -0.108 2.819 1.00 0.00 C ATOM 93 CD PRO A 5 25.366 0.372 1.704 1.00 0.00 C ATOM 0 HA PRO A 5 23.455 0.889 4.306 1.00 0.00 H new ATOM 0 HB2 PRO A 5 25.984 -0.012 4.938 1.00 0.00 H new ATOM 0 HB3 PRO A 5 24.847 -1.064 4.119 1.00 0.00 H new ATOM 0 HG2 PRO A 5 27.105 0.553 2.953 1.00 0.00 H new ATOM 0 HG3 PRO A 5 26.644 -1.101 2.606 1.00 0.00 H new ATOM 0 HD2 PRO A 5 25.927 0.945 0.965 1.00 0.00 H new ATOM 0 HD3 PRO A 5 24.899 -0.459 1.175 1.00 0.00 H new ATOM 101 N TRP A 6 25.658 2.162 5.626 1.00 0.00 N ATOM 102 CA TRP A 6 26.237 3.285 6.345 1.00 0.00 C ATOM 103 C TRP A 6 27.747 3.103 6.410 1.00 0.00 C ATOM 104 O TRP A 6 28.450 3.828 7.112 1.00 0.00 O ATOM 105 CB TRP A 6 25.647 3.405 7.756 1.00 0.00 C ATOM 106 CG TRP A 6 25.398 2.088 8.432 1.00 0.00 C ATOM 107 CD1 TRP A 6 24.684 1.033 7.940 1.00 0.00 C ATOM 108 CD2 TRP A 6 25.853 1.693 9.731 1.00 0.00 C ATOM 109 NE1 TRP A 6 24.676 0.003 8.850 1.00 0.00 N ATOM 110 CE2 TRP A 6 25.384 0.385 9.959 1.00 0.00 C ATOM 111 CE3 TRP A 6 26.614 2.319 10.722 1.00 0.00 C ATOM 112 CZ2 TRP A 6 25.652 -0.307 11.137 1.00 0.00 C ATOM 113 CZ3 TRP A 6 26.879 1.630 11.892 1.00 0.00 C ATOM 114 CH2 TRP A 6 26.400 0.330 12.090 1.00 0.00 C ATOM 0 H TRP A 6 25.844 1.253 6.049 1.00 0.00 H new ATOM 0 HA TRP A 6 26.000 4.207 5.815 1.00 0.00 H new ATOM 0 HB2 TRP A 6 26.325 3.995 8.373 1.00 0.00 H new ATOM 0 HB3 TRP A 6 24.708 3.955 7.700 1.00 0.00 H new ATOM 0 HD1 TRP A 6 24.197 1.011 6.976 1.00 0.00 H new ATOM 0 HE1 TRP A 6 24.218 -0.899 8.721 1.00 0.00 H new ATOM 0 HE3 TRP A 6 26.988 3.322 10.577 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 25.283 -1.310 11.293 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 27.465 2.103 12.666 1.00 0.00 H new ATOM 0 HH2 TRP A 6 26.625 -0.181 13.014 1.00 0.00 H new ATOM 125 N TRP A 7 28.226 2.112 5.659 1.00 0.00 N ATOM 126 CA TRP A 7 29.639 1.794 5.600 1.00 0.00 C ATOM 127 C TRP A 7 30.117 1.702 4.148 1.00 0.00 C ATOM 128 O TRP A 7 31.285 1.415 3.888 1.00 0.00 O ATOM 129 CB TRP A 7 29.895 0.475 6.328 1.00 0.00 C ATOM 130 CG TRP A 7 29.194 -0.690 5.700 1.00 0.00 C ATOM 131 CD1 TRP A 7 27.956 -1.170 6.020 1.00 0.00 C ATOM 132 CD2 TRP A 7 29.687 -1.523 4.644 1.00 0.00 C ATOM 133 NE1 TRP A 7 27.649 -2.249 5.227 1.00 0.00 N ATOM 134 CE2 TRP A 7 28.696 -2.485 4.375 1.00 0.00 C ATOM 135 CE3 TRP A 7 30.869 -1.548 3.899 1.00 0.00 C ATOM 136 CZ2 TRP A 7 28.851 -3.460 3.393 1.00 0.00 C ATOM 137 CZ3 TRP A 7 31.022 -2.517 2.925 1.00 0.00 C ATOM 138 CH2 TRP A 7 30.018 -3.461 2.679 1.00 0.00 C ATOM 0 H TRP A 7 27.641 1.512 5.078 1.00 0.00 H new ATOM 0 HA TRP A 7 30.200 2.591 6.088 1.00 0.00 H new ATOM 0 HB2 TRP A 7 30.967 0.279 6.346 1.00 0.00 H new ATOM 0 HB3 TRP A 7 29.571 0.570 7.364 1.00 0.00 H new ATOM 0 HD1 TRP A 7 27.312 -0.761 6.785 1.00 0.00 H new ATOM 0 HE1 TRP A 7 26.783 -2.787 5.266 1.00 0.00 H new ATOM 0 HE3 TRP A 7 31.649 -0.823 4.081 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 28.078 -4.189 3.202 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 31.932 -2.546 2.344 1.00 0.00 H new ATOM 0 HH2 TRP A 7 30.168 -4.205 1.910 1.00 0.00 H new ATOM 149 N TRP A 8 29.207 1.961 3.205 1.00 0.00 N ATOM 150 CA TRP A 8 29.527 1.923 1.793 1.00 0.00 C ATOM 151 C TRP A 8 30.439 3.084 1.382 1.00 0.00 C ATOM 152 O TRP A 8 31.238 2.941 0.462 1.00 0.00 O ATOM 153 CB TRP A 8 28.233 1.964 0.977 1.00 0.00 C ATOM 154 CG TRP A 8 27.943 3.304 0.384 1.00 0.00 C ATOM 155 CD1 TRP A 8 28.396 3.786 -0.795 1.00 0.00 C ATOM 156 CD2 TRP A 8 27.153 4.333 0.964 1.00 0.00 C ATOM 157 NE1 TRP A 8 27.912 5.055 -1.010 1.00 0.00 N ATOM 158 CE2 TRP A 8 27.143 5.414 0.066 1.00 0.00 C ATOM 159 CE3 TRP A 8 26.447 4.434 2.153 1.00 0.00 C ATOM 160 CZ2 TRP A 8 26.446 6.590 0.328 1.00 0.00 C ATOM 161 CZ3 TRP A 8 25.757 5.599 2.420 1.00 0.00 C ATOM 162 CH2 TRP A 8 25.757 6.665 1.509 1.00 0.00 C ATOM 0 H TRP A 8 28.236 2.201 3.407 1.00 0.00 H new ATOM 0 HA TRP A 8 30.066 0.996 1.595 1.00 0.00 H new ATOM 0 HB2 TRP A 8 28.295 1.227 0.176 1.00 0.00 H new ATOM 0 HB3 TRP A 8 27.400 1.671 1.617 1.00 0.00 H new ATOM 0 HD1 TRP A 8 29.046 3.251 -1.472 1.00 0.00 H new ATOM 0 HE1 TRP A 8 28.094 5.632 -1.831 1.00 0.00 H new ATOM 0 HE3 TRP A 8 26.437 3.616 2.858 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 26.449 7.412 -0.373 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 25.208 5.691 3.346 1.00 0.00 H new ATOM 0 HH2 TRP A 8 25.203 7.562 1.743 1.00 0.00 H new ATOM 173 N PRO A 9 30.318 4.270 2.024 1.00 0.00 N ATOM 174 CA PRO A 9 31.103 5.441 1.688 1.00 0.00 C ATOM 175 C PRO A 9 32.528 5.126 1.221 1.00 0.00 C ATOM 176 O PRO A 9 33.097 5.862 0.413 1.00 0.00 O ATOM 177 CB PRO A 9 31.139 6.239 3.006 1.00 0.00 C ATOM 178 CG PRO A 9 30.236 5.508 3.951 1.00 0.00 C ATOM 179 CD PRO A 9 29.387 4.619 3.094 1.00 0.00 C ATOM 0 HA PRO A 9 30.660 5.974 0.847 1.00 0.00 H new ATOM 0 HB2 PRO A 9 32.153 6.297 3.400 1.00 0.00 H new ATOM 0 HB3 PRO A 9 30.798 7.263 2.853 1.00 0.00 H new ATOM 0 HG2 PRO A 9 30.811 4.925 4.670 1.00 0.00 H new ATOM 0 HG3 PRO A 9 29.622 6.204 4.523 1.00 0.00 H new ATOM 0 HD2 PRO A 9 29.037 3.740 3.636 1.00 0.00 H new ATOM 0 HD3 PRO A 9 28.504 5.135 2.717 1.00 0.00 H new ATOM 187 N PHE A 10 33.106 4.042 1.736 1.00 0.00 N ATOM 188 CA PHE A 10 34.468 3.659 1.368 1.00 0.00 C ATOM 189 C PHE A 10 34.518 2.294 0.673 1.00 0.00 C ATOM 190 O PHE A 10 35.557 1.907 0.139 1.00 0.00 O ATOM 191 CB PHE A 10 35.362 3.635 2.611 1.00 0.00 C ATOM 192 CG PHE A 10 35.060 4.731 3.594 1.00 0.00 C ATOM 193 CD1 PHE A 10 34.876 6.034 3.162 1.00 0.00 C ATOM 194 CD2 PHE A 10 34.959 4.456 4.948 1.00 0.00 C ATOM 195 CE1 PHE A 10 34.599 7.044 4.064 1.00 0.00 C ATOM 196 CE2 PHE A 10 34.682 5.461 5.854 1.00 0.00 C ATOM 197 CZ PHE A 10 34.502 6.758 5.411 1.00 0.00 C ATOM 0 H PHE A 10 32.656 3.417 2.405 1.00 0.00 H new ATOM 0 HA PHE A 10 34.833 4.405 0.662 1.00 0.00 H new ATOM 0 HB2 PHE A 10 35.251 2.672 3.109 1.00 0.00 H new ATOM 0 HB3 PHE A 10 36.404 3.715 2.300 1.00 0.00 H new ATOM 0 HD1 PHE A 10 34.950 6.263 2.109 1.00 0.00 H new ATOM 0 HD2 PHE A 10 35.098 3.444 5.299 1.00 0.00 H new ATOM 0 HE1 PHE A 10 34.459 8.056 3.715 1.00 0.00 H new ATOM 0 HE2 PHE A 10 34.606 5.234 6.907 1.00 0.00 H new ATOM 0 HZ PHE A 10 34.286 7.546 6.117 1.00 0.00 H new ATOM 207 N LEU A 11 33.405 1.565 0.687 1.00 0.00 N ATOM 208 CA LEU A 11 33.354 0.245 0.061 1.00 0.00 C ATOM 209 C LEU A 11 33.637 0.326 -1.438 1.00 0.00 C ATOM 210 O LEU A 11 33.867 1.408 -1.980 1.00 0.00 O ATOM 211 CB LEU A 11 31.992 -0.417 0.328 1.00 0.00 C ATOM 212 CG LEU A 11 30.963 -0.361 -0.813 1.00 0.00 C ATOM 213 CD1 LEU A 11 29.634 -0.942 -0.355 1.00 0.00 C ATOM 214 CD2 LEU A 11 30.768 1.064 -1.311 1.00 0.00 C ATOM 0 H LEU A 11 32.531 1.862 1.122 1.00 0.00 H new ATOM 0 HA LEU A 11 34.135 -0.372 0.506 1.00 0.00 H new ATOM 0 HB2 LEU A 11 32.165 -1.463 0.579 1.00 0.00 H new ATOM 0 HB3 LEU A 11 31.551 0.053 1.207 1.00 0.00 H new ATOM 0 HG LEU A 11 31.347 -0.959 -1.640 1.00 0.00 H new ATOM 0 HD11 LEU A 11 28.915 -0.896 -1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 11 29.775 -1.980 -0.054 1.00 0.00 H new ATOM 0 HD13 LEU A 11 29.258 -0.367 0.491 1.00 0.00 H new ATOM 0 HD21 LEU A 11 30.035 1.070 -2.117 1.00 0.00 H new ATOM 0 HD22 LEU A 11 30.413 1.690 -0.493 1.00 0.00 H new ATOM 0 HD23 LEU A 11 31.717 1.453 -1.680 1.00 0.00 H new ATOM 226 N ARG A 12 33.615 -0.825 -2.100 1.00 0.00 N ATOM 227 CA ARG A 12 33.864 -0.889 -3.536 1.00 0.00 C ATOM 228 C ARG A 12 32.909 -1.872 -4.206 1.00 0.00 C ATOM 229 O ARG A 12 33.326 -2.915 -4.709 1.00 0.00 O ATOM 230 CB ARG A 12 35.313 -1.300 -3.807 1.00 0.00 C ATOM 231 CG ARG A 12 36.331 -0.531 -2.983 1.00 0.00 C ATOM 232 CD ARG A 12 37.683 -1.228 -2.974 1.00 0.00 C ATOM 233 NE ARG A 12 38.091 -1.646 -4.314 1.00 0.00 N ATOM 234 CZ ARG A 12 39.137 -2.433 -4.558 1.00 0.00 C ATOM 235 NH1 ARG A 12 39.883 -2.888 -3.558 1.00 0.00 N ATOM 236 NH2 ARG A 12 39.439 -2.766 -5.805 1.00 0.00 N ATOM 0 H ARG A 12 33.427 -1.728 -1.665 1.00 0.00 H new ATOM 0 HA ARG A 12 33.693 0.102 -3.956 1.00 0.00 H new ATOM 0 HB2 ARG A 12 35.423 -2.365 -3.603 1.00 0.00 H new ATOM 0 HB3 ARG A 12 35.531 -1.154 -4.865 1.00 0.00 H new ATOM 0 HG2 ARG A 12 36.442 0.475 -3.387 1.00 0.00 H new ATOM 0 HG3 ARG A 12 35.968 -0.426 -1.961 1.00 0.00 H new ATOM 0 HD2 ARG A 12 38.435 -0.557 -2.559 1.00 0.00 H new ATOM 0 HD3 ARG A 12 37.638 -2.099 -2.320 1.00 0.00 H new ATOM 0 HE ARG A 12 37.543 -1.316 -5.108 1.00 0.00 H new ATOM 0 HH11 ARG A 12 39.656 -2.635 -2.596 1.00 0.00 H new ATOM 0 HH12 ARG A 12 40.683 -3.491 -3.752 1.00 0.00 H new ATOM 0 HH21 ARG A 12 38.870 -2.419 -6.577 1.00 0.00 H new ATOM 0 HH22 ARG A 12 40.240 -3.369 -5.992 1.00 0.00 H new ATOM 250 N ARG A 13 31.624 -1.529 -4.210 1.00 0.00 N ATOM 251 CA ARG A 13 30.609 -2.376 -4.816 1.00 0.00 C ATOM 252 C ARG A 13 29.391 -1.555 -5.230 1.00 0.00 C ATOM 253 O ARG A 13 28.462 -1.419 -4.406 1.00 0.00 O ATOM 254 CB ARG A 13 30.187 -3.483 -3.847 1.00 0.00 C ATOM 255 CG ARG A 13 31.107 -4.696 -3.867 1.00 0.00 C ATOM 256 CD ARG A 13 31.820 -4.888 -2.536 1.00 0.00 C ATOM 257 NE ARG A 13 33.246 -4.581 -2.630 1.00 0.00 N ATOM 258 CZ ARG A 13 34.154 -5.420 -3.125 1.00 0.00 C ATOM 259 NH1 ARG A 13 33.789 -6.614 -3.576 1.00 0.00 N ATOM 260 NH2 ARG A 13 35.430 -5.063 -3.171 1.00 0.00 N ATOM 261 OXT ARG A 13 29.378 -1.052 -6.373 1.00 0.00 O ATOM 0 H ARG A 13 31.263 -0.668 -3.799 1.00 0.00 H new ATOM 0 HA ARG A 13 31.040 -2.831 -5.708 1.00 0.00 H new ATOM 0 HB2 ARG A 13 30.157 -3.077 -2.836 1.00 0.00 H new ATOM 0 HB3 ARG A 13 29.174 -3.802 -4.092 1.00 0.00 H new ATOM 0 HG2 ARG A 13 30.526 -5.589 -4.100 1.00 0.00 H new ATOM 0 HG3 ARG A 13 31.845 -4.579 -4.661 1.00 0.00 H new ATOM 0 HD2 ARG A 13 31.360 -4.248 -1.783 1.00 0.00 H new ATOM 0 HD3 ARG A 13 31.692 -5.917 -2.201 1.00 0.00 H new ATOM 0 HE ARG A 13 33.564 -3.671 -2.297 1.00 0.00 H new ATOM 0 HH11 ARG A 13 32.808 -6.893 -3.545 1.00 0.00 H new ATOM 0 HH12 ARG A 13 34.489 -7.252 -3.954 1.00 0.00 H new ATOM 0 HH21 ARG A 13 35.716 -4.146 -2.827 1.00 0.00 H new ATOM 0 HH22 ARG A 13 36.126 -5.705 -3.550 1.00 0.00 H new TER 275 ARG A 13