USER MOD reduce.3.24.130724 H: found=0, std=0, add=136, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 138 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+ -177:sc= -0.511 (180deg=-0.556) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -8.139 3.626 4.520 1.00 0.00 N ATOM 2 CA VAL A 1 -9.193 2.938 3.731 1.00 0.00 C ATOM 3 C VAL A 1 -8.584 1.944 2.747 1.00 0.00 C ATOM 4 O VAL A 1 -7.587 2.240 2.087 1.00 0.00 O ATOM 5 CB VAL A 1 -10.057 3.949 2.952 1.00 0.00 C ATOM 6 CG1 VAL A 1 -10.776 4.886 3.909 1.00 0.00 C ATOM 7 CG2 VAL A 1 -9.207 4.737 1.965 1.00 0.00 C ATOM 0 H1 VAL A 1 -8.583 4.258 5.216 1.00 0.00 H new ATOM 0 H2 VAL A 1 -7.559 2.919 5.015 1.00 0.00 H new ATOM 0 H3 VAL A 1 -7.536 4.183 3.882 1.00 0.00 H new ATOM 0 HA VAL A 1 -9.822 2.402 4.442 1.00 0.00 H new ATOM 0 HB VAL A 1 -10.806 3.394 2.387 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -11.381 5.593 3.341 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -11.420 4.307 4.570 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -10.043 5.432 4.503 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -9.837 5.445 1.426 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -8.431 5.280 2.505 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -8.743 4.051 1.256 1.00 0.00 H new ATOM 19 N ARG A 2 -9.189 0.764 2.652 1.00 0.00 N ATOM 20 CA ARG A 2 -8.702 -0.269 1.745 1.00 0.00 C ATOM 21 C ARG A 2 -8.856 0.169 0.293 1.00 0.00 C ATOM 22 O ARG A 2 -9.935 0.582 -0.131 1.00 0.00 O ATOM 23 CB ARG A 2 -9.451 -1.584 1.981 1.00 0.00 C ATOM 24 CG ARG A 2 -9.013 -2.715 1.061 1.00 0.00 C ATOM 25 CD ARG A 2 -7.525 -3.004 1.196 1.00 0.00 C ATOM 26 NE ARG A 2 -7.150 -3.337 2.568 1.00 0.00 N ATOM 27 CZ ARG A 2 -7.587 -4.413 3.217 1.00 0.00 C ATOM 28 NH1 ARG A 2 -8.402 -5.272 2.618 1.00 0.00 N ATOM 29 NH2 ARG A 2 -7.203 -4.633 4.467 1.00 0.00 N ATOM 0 H ARG A 2 -10.014 0.500 3.190 1.00 0.00 H new ATOM 0 HA ARG A 2 -7.643 -0.426 1.947 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -9.306 -1.893 3.016 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -10.519 -1.412 1.847 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -9.581 -3.615 1.294 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -9.241 -2.453 0.028 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -7.256 -3.829 0.537 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -6.956 -2.134 0.867 1.00 0.00 H new ATOM 0 HE ARG A 2 -6.515 -2.707 3.058 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -8.697 -5.109 1.655 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -8.734 -6.095 3.120 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -6.573 -3.978 4.930 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -7.537 -5.458 4.966 1.00 0.00 H new ATOM 43 N ARG A 3 -7.765 0.071 -0.461 1.00 0.00 N ATOM 44 CA ARG A 3 -7.753 0.447 -1.867 1.00 0.00 C ATOM 45 C ARG A 3 -6.375 0.209 -2.405 1.00 0.00 C ATOM 46 O ARG A 3 -5.898 0.891 -3.313 1.00 0.00 O ATOM 47 CB ARG A 3 -8.159 1.907 -2.047 1.00 0.00 C ATOM 48 CG ARG A 3 -7.252 2.870 -1.308 1.00 0.00 C ATOM 49 CD ARG A 3 -7.851 4.262 -1.246 1.00 0.00 C ATOM 50 NE ARG A 3 -8.078 4.823 -2.576 1.00 0.00 N ATOM 51 CZ ARG A 3 -8.584 6.034 -2.790 1.00 0.00 C ATOM 52 NH1 ARG A 3 -8.908 6.814 -1.765 1.00 0.00 N ATOM 53 NH2 ARG A 3 -8.763 6.469 -4.029 1.00 0.00 N ATOM 0 H ARG A 3 -6.869 -0.270 -0.114 1.00 0.00 H new ATOM 0 HA ARG A 3 -8.476 -0.157 -2.415 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -8.151 2.152 -3.109 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -9.183 2.039 -1.697 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -7.077 2.503 -0.297 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -6.282 2.912 -1.804 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -8.795 4.226 -0.702 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -7.185 4.918 -0.685 1.00 0.00 H new ATOM 0 HE ARG A 3 -7.834 4.253 -3.386 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -8.769 6.485 -0.810 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -9.296 7.742 -1.933 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -8.513 5.875 -4.819 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -9.151 7.398 -4.192 1.00 0.00 H new ATOM 67 N PHE A 4 -5.748 -0.783 -1.816 1.00 0.00 N ATOM 68 CA PHE A 4 -4.421 -1.169 -2.187 1.00 0.00 C ATOM 69 C PHE A 4 -4.085 -2.540 -1.635 1.00 0.00 C ATOM 70 O PHE A 4 -4.783 -3.076 -0.774 1.00 0.00 O ATOM 71 CB PHE A 4 -3.396 -0.164 -1.675 1.00 0.00 C ATOM 72 CG PHE A 4 -3.379 0.014 -0.184 1.00 0.00 C ATOM 73 CD1 PHE A 4 -4.364 0.748 0.452 1.00 0.00 C ATOM 74 CD2 PHE A 4 -2.371 -0.564 0.582 1.00 0.00 C ATOM 75 CE1 PHE A 4 -4.351 0.909 1.824 1.00 0.00 C ATOM 76 CE2 PHE A 4 -2.355 -0.406 1.955 1.00 0.00 C ATOM 77 CZ PHE A 4 -3.346 0.332 2.576 1.00 0.00 C ATOM 0 H PHE A 4 -6.152 -1.342 -1.064 1.00 0.00 H new ATOM 0 HA PHE A 4 -4.383 -1.197 -3.276 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -2.405 -0.479 -2.000 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.592 0.802 -2.140 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -5.153 1.201 -0.131 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.595 -1.140 0.100 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -5.126 1.485 2.308 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -1.569 -0.858 2.542 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.334 0.457 3.649 1.00 0.00 H new ATOM 87 N PRO A 5 -2.983 -3.103 -2.121 1.00 0.00 N ATOM 88 CA PRO A 5 -2.492 -4.404 -1.685 1.00 0.00 C ATOM 89 C PRO A 5 -2.209 -4.423 -0.181 1.00 0.00 C ATOM 90 O PRO A 5 -2.983 -4.983 0.596 1.00 0.00 O ATOM 91 CB PRO A 5 -1.186 -4.558 -2.476 1.00 0.00 C ATOM 92 CG PRO A 5 -1.299 -3.617 -3.620 1.00 0.00 C ATOM 93 CD PRO A 5 -2.109 -2.483 -3.119 1.00 0.00 C ATOM 0 HA PRO A 5 -3.210 -5.205 -1.858 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -0.322 -4.320 -1.856 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.056 -5.583 -2.823 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.316 -3.282 -3.951 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -1.778 -4.094 -4.475 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -1.484 -1.707 -2.678 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -2.682 -2.015 -3.919 1.00 0.00 H new ATOM 101 N TRP A 6 -1.098 -3.782 0.198 1.00 0.00 N ATOM 102 CA TRP A 6 -0.647 -3.665 1.594 1.00 0.00 C ATOM 103 C TRP A 6 0.857 -3.448 1.620 1.00 0.00 C ATOM 104 O TRP A 6 1.393 -2.716 2.452 1.00 0.00 O ATOM 105 CB TRP A 6 -0.994 -4.891 2.426 1.00 0.00 C ATOM 106 CG TRP A 6 -0.256 -6.109 2.009 1.00 0.00 C ATOM 107 CD1 TRP A 6 -0.726 -7.100 1.219 1.00 0.00 C ATOM 108 CD2 TRP A 6 1.080 -6.470 2.369 1.00 0.00 C ATOM 109 NE1 TRP A 6 0.233 -8.054 1.050 1.00 0.00 N ATOM 110 CE2 TRP A 6 1.353 -7.697 1.752 1.00 0.00 C ATOM 111 CE3 TRP A 6 2.069 -5.869 3.150 1.00 0.00 C ATOM 112 CZ2 TRP A 6 2.577 -8.346 1.891 1.00 0.00 C ATOM 113 CZ3 TRP A 6 3.285 -6.509 3.290 1.00 0.00 C ATOM 114 CH2 TRP A 6 3.530 -7.739 2.665 1.00 0.00 C ATOM 0 H TRP A 6 -0.475 -3.322 -0.466 1.00 0.00 H new ATOM 0 HA TRP A 6 -1.168 -2.815 2.034 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -0.777 -4.684 3.474 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -2.065 -5.080 2.353 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -1.715 -7.131 0.786 1.00 0.00 H new ATOM 0 HE1 TRP A 6 0.132 -8.900 0.489 1.00 0.00 H new ATOM 0 HE3 TRP A 6 1.887 -4.922 3.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 2.768 -9.292 1.407 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 4.059 -6.054 3.891 1.00 0.00 H new ATOM 0 HH2 TRP A 6 4.489 -8.218 2.796 1.00 0.00 H new ATOM 125 N TRP A 7 1.513 -4.109 0.682 1.00 0.00 N ATOM 126 CA TRP A 7 2.956 -4.043 0.508 1.00 0.00 C ATOM 127 C TRP A 7 3.298 -2.891 -0.397 1.00 0.00 C ATOM 128 O TRP A 7 4.454 -2.500 -0.540 1.00 0.00 O ATOM 129 CB TRP A 7 3.425 -5.309 -0.186 1.00 0.00 C ATOM 130 CG TRP A 7 2.622 -5.524 -1.422 1.00 0.00 C ATOM 131 CD1 TRP A 7 1.553 -6.335 -1.532 1.00 0.00 C ATOM 132 CD2 TRP A 7 2.759 -4.865 -2.693 1.00 0.00 C ATOM 133 NE1 TRP A 7 1.023 -6.252 -2.783 1.00 0.00 N ATOM 134 CE2 TRP A 7 1.742 -5.363 -3.519 1.00 0.00 C ATOM 135 CE3 TRP A 7 3.635 -3.914 -3.218 1.00 0.00 C ATOM 136 CZ2 TRP A 7 1.567 -4.947 -4.833 1.00 0.00 C ATOM 137 CZ3 TRP A 7 3.450 -3.493 -4.514 1.00 0.00 C ATOM 138 CH2 TRP A 7 2.426 -4.007 -5.311 1.00 0.00 C ATOM 0 H TRP A 7 1.050 -4.718 0.007 1.00 0.00 H new ATOM 0 HA TRP A 7 3.429 -3.925 1.483 1.00 0.00 H new ATOM 0 HB2 TRP A 7 4.483 -5.229 -0.436 1.00 0.00 H new ATOM 0 HB3 TRP A 7 3.319 -6.163 0.482 1.00 0.00 H new ATOM 0 HD1 TRP A 7 1.170 -6.962 -0.740 1.00 0.00 H new ATOM 0 HE1 TRP A 7 0.213 -6.775 -3.116 1.00 0.00 H new ATOM 0 HE3 TRP A 7 4.441 -3.517 -2.619 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 0.780 -5.354 -5.451 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 4.113 -2.746 -4.925 1.00 0.00 H new ATOM 0 HH2 TRP A 7 2.314 -3.652 -6.325 1.00 0.00 H new ATOM 149 N TRP A 8 2.276 -2.428 -1.091 1.00 0.00 N ATOM 150 CA TRP A 8 2.435 -1.399 -2.077 1.00 0.00 C ATOM 151 C TRP A 8 2.608 0.028 -1.486 1.00 0.00 C ATOM 152 O TRP A 8 3.269 0.865 -2.100 1.00 0.00 O ATOM 153 CB TRP A 8 1.281 -1.485 -3.042 1.00 0.00 C ATOM 154 CG TRP A 8 0.448 -0.343 -2.851 1.00 0.00 C ATOM 155 CD1 TRP A 8 -0.380 -0.171 -1.850 1.00 0.00 C ATOM 156 CD2 TRP A 8 0.450 0.810 -3.621 1.00 0.00 C ATOM 157 NE1 TRP A 8 -0.941 1.065 -1.928 1.00 0.00 N ATOM 158 CE2 TRP A 8 -0.431 1.698 -3.035 1.00 0.00 C ATOM 159 CE3 TRP A 8 1.124 1.150 -4.756 1.00 0.00 C ATOM 160 CZ2 TRP A 8 -0.648 2.955 -3.563 1.00 0.00 C ATOM 161 CZ3 TRP A 8 0.923 2.391 -5.302 1.00 0.00 C ATOM 162 CH2 TRP A 8 0.043 3.288 -4.700 1.00 0.00 C ATOM 0 H TRP A 8 1.318 -2.760 -0.981 1.00 0.00 H new ATOM 0 HA TRP A 8 3.374 -1.575 -2.601 1.00 0.00 H new ATOM 0 HB2 TRP A 8 1.647 -1.520 -4.068 1.00 0.00 H new ATOM 0 HB3 TRP A 8 0.714 -2.400 -2.874 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.586 -0.900 -1.080 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.623 1.455 -1.277 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.806 0.452 -5.218 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -1.334 3.648 -3.099 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 1.449 2.675 -6.202 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.098 4.265 -5.138 1.00 0.00 H new ATOM 173 N PRO A 9 2.059 0.333 -0.283 1.00 0.00 N ATOM 174 CA PRO A 9 2.226 1.649 0.341 1.00 0.00 C ATOM 175 C PRO A 9 3.587 1.675 0.977 1.00 0.00 C ATOM 176 O PRO A 9 4.197 2.712 1.226 1.00 0.00 O ATOM 177 CB PRO A 9 1.140 1.660 1.410 1.00 0.00 C ATOM 178 CG PRO A 9 1.077 0.239 1.849 1.00 0.00 C ATOM 179 CD PRO A 9 1.307 -0.578 0.602 1.00 0.00 C ATOM 0 HA PRO A 9 2.149 2.498 -0.339 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.395 2.325 2.235 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.185 2.000 1.010 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.835 0.027 2.603 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.110 0.009 2.296 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.873 -1.485 0.817 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.366 -0.889 0.149 1.00 0.00 H new ATOM 187 N PHE A 10 4.019 0.462 1.217 1.00 0.00 N ATOM 188 CA PHE A 10 5.278 0.141 1.806 1.00 0.00 C ATOM 189 C PHE A 10 6.420 0.659 0.934 1.00 0.00 C ATOM 190 O PHE A 10 7.487 1.009 1.439 1.00 0.00 O ATOM 191 CB PHE A 10 5.278 -1.375 1.942 1.00 0.00 C ATOM 192 CG PHE A 10 6.456 -1.968 2.664 1.00 0.00 C ATOM 193 CD1 PHE A 10 7.175 -1.231 3.594 1.00 0.00 C ATOM 194 CD2 PHE A 10 6.830 -3.278 2.419 1.00 0.00 C ATOM 195 CE1 PHE A 10 8.248 -1.793 4.260 1.00 0.00 C ATOM 196 CE2 PHE A 10 7.899 -3.844 3.082 1.00 0.00 C ATOM 197 CZ PHE A 10 8.610 -3.101 4.004 1.00 0.00 C ATOM 0 H PHE A 10 3.467 -0.365 0.992 1.00 0.00 H new ATOM 0 HA PHE A 10 5.425 0.611 2.779 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.369 -1.674 2.463 1.00 0.00 H new ATOM 0 HB3 PHE A 10 5.231 -1.810 0.944 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.894 -0.209 3.799 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.278 -3.864 1.700 1.00 0.00 H new ATOM 0 HE1 PHE A 10 8.803 -1.210 4.980 1.00 0.00 H new ATOM 0 HE2 PHE A 10 8.180 -4.867 2.880 1.00 0.00 H new ATOM 0 HZ PHE A 10 9.448 -3.542 4.524 1.00 0.00 H new ATOM 207 N LEU A 11 6.180 0.733 -0.379 1.00 0.00 N ATOM 208 CA LEU A 11 7.189 1.247 -1.306 1.00 0.00 C ATOM 209 C LEU A 11 7.272 2.765 -1.205 1.00 0.00 C ATOM 210 O LEU A 11 8.341 3.329 -0.970 1.00 0.00 O ATOM 211 CB LEU A 11 6.871 0.883 -2.765 1.00 0.00 C ATOM 212 CG LEU A 11 6.722 -0.595 -3.100 1.00 0.00 C ATOM 213 CD1 LEU A 11 7.545 -1.473 -2.167 1.00 0.00 C ATOM 214 CD2 LEU A 11 5.255 -0.963 -3.067 1.00 0.00 C ATOM 0 H LEU A 11 5.305 0.447 -0.819 1.00 0.00 H new ATOM 0 HA LEU A 11 8.137 0.787 -1.025 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.946 1.387 -3.044 1.00 0.00 H new ATOM 0 HB3 LEU A 11 7.660 1.294 -3.395 1.00 0.00 H new ATOM 0 HG LEU A 11 7.111 -0.772 -4.103 1.00 0.00 H new ATOM 0 HD11 LEU A 11 7.411 -2.520 -2.440 1.00 0.00 H new ATOM 0 HD12 LEU A 11 8.599 -1.208 -2.253 1.00 0.00 H new ATOM 0 HD13 LEU A 11 7.215 -1.321 -1.139 1.00 0.00 H new ATOM 0 HD21 LEU A 11 5.140 -2.020 -3.306 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.854 -0.770 -2.072 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.713 -0.364 -3.799 1.00 0.00 H new ATOM 226 N ARG A 12 6.127 3.419 -1.400 1.00 0.00 N ATOM 227 CA ARG A 12 6.050 4.875 -1.350 1.00 0.00 C ATOM 228 C ARG A 12 6.431 5.411 0.029 1.00 0.00 C ATOM 229 O ARG A 12 7.376 6.190 0.160 1.00 0.00 O ATOM 230 CB ARG A 12 4.639 5.344 -1.735 1.00 0.00 C ATOM 231 CG ARG A 12 3.520 4.665 -0.954 1.00 0.00 C ATOM 232 CD ARG A 12 2.170 5.298 -1.251 1.00 0.00 C ATOM 233 NE ARG A 12 1.090 4.663 -0.499 1.00 0.00 N ATOM 234 CZ ARG A 12 -0.180 5.056 -0.552 1.00 0.00 C ATOM 235 NH1 ARG A 12 -0.529 6.086 -1.312 1.00 0.00 N ATOM 236 NH2 ARG A 12 -1.102 4.419 0.156 1.00 0.00 N ATOM 0 H ARG A 12 5.238 2.959 -1.595 1.00 0.00 H new ATOM 0 HA ARG A 12 6.767 5.273 -2.068 1.00 0.00 H new ATOM 0 HB2 ARG A 12 4.572 6.421 -1.582 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.486 5.163 -2.799 1.00 0.00 H new ATOM 0 HG2 ARG A 12 3.490 3.605 -1.207 1.00 0.00 H new ATOM 0 HG3 ARG A 12 3.728 4.732 0.114 1.00 0.00 H new ATOM 0 HD2 ARG A 12 2.206 6.360 -1.007 1.00 0.00 H new ATOM 0 HD3 ARG A 12 1.961 5.223 -2.318 1.00 0.00 H new ATOM 0 HE ARG A 12 1.323 3.872 0.102 1.00 0.00 H new ATOM 0 HH11 ARG A 12 0.177 6.579 -1.858 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -1.504 6.385 -1.350 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -0.838 3.627 0.742 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -2.075 4.721 0.115 1.00 0.00 H new ATOM 250 N ARG A 13 5.695 4.990 1.051 1.00 0.00 N ATOM 251 CA ARG A 13 5.957 5.427 2.416 1.00 0.00 C ATOM 252 C ARG A 13 7.028 4.561 3.066 1.00 0.00 C ATOM 253 O ARG A 13 8.120 5.094 3.355 1.00 0.00 O ATOM 254 CB ARG A 13 4.672 5.378 3.242 1.00 0.00 C ATOM 255 CG ARG A 13 3.537 6.197 2.648 1.00 0.00 C ATOM 256 CD ARG A 13 3.916 7.663 2.510 1.00 0.00 C ATOM 257 NE ARG A 13 2.849 8.451 1.901 1.00 0.00 N ATOM 258 CZ ARG A 13 2.952 9.750 1.632 1.00 0.00 C ATOM 259 NH1 ARG A 13 4.071 10.404 1.917 1.00 0.00 N ATOM 260 NH2 ARG A 13 1.936 10.395 1.077 1.00 0.00 N ATOM 0 H ARG A 13 4.910 4.345 0.959 1.00 0.00 H new ATOM 0 HA ARG A 13 6.319 6.455 2.381 1.00 0.00 H new ATOM 0 HB2 ARG A 13 4.350 4.341 3.337 1.00 0.00 H new ATOM 0 HB3 ARG A 13 4.882 5.740 4.248 1.00 0.00 H new ATOM 0 HG2 ARG A 13 3.271 5.796 1.670 1.00 0.00 H new ATOM 0 HG3 ARG A 13 2.653 6.107 3.280 1.00 0.00 H new ATOM 0 HD2 ARG A 13 4.151 8.070 3.493 1.00 0.00 H new ATOM 0 HD3 ARG A 13 4.819 7.748 1.906 1.00 0.00 H new ATOM 0 HE ARG A 13 1.975 7.979 1.668 1.00 0.00 H new ATOM 0 HH11 ARG A 13 4.855 9.911 2.344 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.147 11.400 1.709 1.00 0.00 H new ATOM 0 HH21 ARG A 13 1.075 9.896 0.856 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.015 11.391 0.871 1.00 0.00 H new HETATM 274 N NH2 A 14 7.270 3.358 2.564 1.00 0.00 N TER 277 NH2 A 14