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+ 174:sc= -0.57 (180deg=-0.657) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -12.307 -0.614 4.396 1.00 0.00 N ATOM 2 CA VAL A 1 -11.291 0.468 4.435 1.00 0.00 C ATOM 3 C VAL A 1 -10.318 0.355 3.264 1.00 0.00 C ATOM 4 O VAL A 1 -9.122 0.617 3.409 1.00 0.00 O ATOM 5 CB VAL A 1 -10.496 0.436 5.756 1.00 0.00 C ATOM 6 CG1 VAL A 1 -11.411 0.719 6.939 1.00 0.00 C ATOM 7 CG2 VAL A 1 -9.798 -0.906 5.928 1.00 0.00 C ATOM 0 H1 VAL A 1 -12.891 -0.573 5.256 1.00 0.00 H new ATOM 0 H2 VAL A 1 -12.913 -0.491 3.560 1.00 0.00 H new ATOM 0 H3 VAL A 1 -11.830 -1.537 4.345 1.00 0.00 H new ATOM 0 HA VAL A 1 -11.829 1.413 4.362 1.00 0.00 H new ATOM 0 HB VAL A 1 -9.735 1.216 5.717 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -10.832 0.692 7.862 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -11.862 1.704 6.822 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -12.196 -0.037 6.981 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -9.242 -0.910 6.866 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -10.541 -1.703 5.944 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -9.110 -1.067 5.098 1.00 0.00 H new ATOM 19 N ARG A 2 -10.837 -0.034 2.102 1.00 0.00 N ATOM 20 CA ARG A 2 -10.011 -0.180 0.908 1.00 0.00 C ATOM 21 C ARG A 2 -9.605 1.182 0.353 1.00 0.00 C ATOM 22 O ARG A 2 -10.417 2.106 0.288 1.00 0.00 O ATOM 23 CB ARG A 2 -10.751 -0.985 -0.164 1.00 0.00 C ATOM 24 CG ARG A 2 -11.976 -0.283 -0.728 1.00 0.00 C ATOM 25 CD ARG A 2 -12.666 -1.137 -1.781 1.00 0.00 C ATOM 26 NE ARG A 2 -13.787 -0.440 -2.408 1.00 0.00 N ATOM 27 CZ ARG A 2 -14.543 -0.973 -3.364 1.00 0.00 C ATOM 28 NH1 ARG A 2 -14.305 -2.206 -3.792 1.00 0.00 N ATOM 29 NH2 ARG A 2 -15.538 -0.274 -3.891 1.00 0.00 N ATOM 0 H ARG A 2 -11.823 -0.253 1.963 1.00 0.00 H new ATOM 0 HA ARG A 2 -9.107 -0.719 1.191 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -10.062 -1.203 -0.980 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -11.056 -1.942 0.260 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -12.675 -0.062 0.079 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -11.682 0.671 -1.166 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -11.944 -1.422 -2.546 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -13.024 -2.058 -1.322 1.00 0.00 H new ATOM 0 HE ARG A 2 -14.001 0.507 -2.096 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -13.541 -2.748 -3.388 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -14.886 -2.612 -4.525 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -15.725 0.674 -3.564 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -16.117 -0.684 -4.624 1.00 0.00 H new ATOM 43 N ARG A 3 -8.343 1.294 -0.049 1.00 0.00 N ATOM 44 CA ARG A 3 -7.809 2.529 -0.604 1.00 0.00 C ATOM 45 C ARG A 3 -6.387 2.280 -1.024 1.00 0.00 C ATOM 46 O ARG A 3 -5.694 3.162 -1.534 1.00 0.00 O ATOM 47 CB ARG A 3 -7.881 3.669 0.419 1.00 0.00 C ATOM 48 CG ARG A 3 -7.404 5.010 -0.117 1.00 0.00 C ATOM 49 CD ARG A 3 -7.411 6.076 0.967 1.00 0.00 C ATOM 50 NE ARG A 3 -6.923 7.363 0.479 1.00 0.00 N ATOM 51 CZ ARG A 3 -7.529 8.078 -0.466 1.00 0.00 C ATOM 52 NH1 ARG A 3 -8.658 7.646 -1.014 1.00 0.00 N ATOM 53 NH2 ARG A 3 -7.006 9.232 -0.858 1.00 0.00 N ATOM 0 H ARG A 3 -7.665 0.533 0.001 1.00 0.00 H new ATOM 0 HA ARG A 3 -8.405 2.832 -1.465 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -8.911 3.772 0.762 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -7.280 3.402 1.289 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -6.396 4.905 -0.519 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -8.045 5.323 -0.941 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -8.424 6.195 1.350 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -6.791 5.747 1.801 1.00 0.00 H new ATOM 0 HE ARG A 3 -6.066 7.737 0.887 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -9.066 6.762 -0.711 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -9.118 8.199 -1.738 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -6.141 9.570 -0.435 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -7.469 9.782 -1.582 1.00 0.00 H new ATOM 67 N PHE A 4 -5.973 1.046 -0.818 1.00 0.00 N ATOM 68 CA PHE A 4 -4.655 0.626 -1.174 1.00 0.00 C ATOM 69 C PHE A 4 -4.511 -0.869 -1.016 1.00 0.00 C ATOM 70 O PHE A 4 -5.244 -1.513 -0.266 1.00 0.00 O ATOM 71 CB PHE A 4 -3.601 1.309 -0.322 1.00 0.00 C ATOM 72 CG PHE A 4 -3.652 0.954 1.137 1.00 0.00 C ATOM 73 CD1 PHE A 4 -4.612 1.504 1.967 1.00 0.00 C ATOM 74 CD2 PHE A 4 -2.735 0.058 1.673 1.00 0.00 C ATOM 75 CE1 PHE A 4 -4.659 1.173 3.308 1.00 0.00 C ATOM 76 CE2 PHE A 4 -2.778 -0.276 3.013 1.00 0.00 C ATOM 77 CZ PHE A 4 -3.740 0.282 3.832 1.00 0.00 C ATOM 0 H PHE A 4 -6.548 0.315 -0.399 1.00 0.00 H new ATOM 0 HA PHE A 4 -4.504 0.906 -2.216 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -2.616 1.052 -0.711 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.713 2.388 -0.424 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -5.333 2.200 1.563 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.982 -0.381 1.036 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -5.413 1.610 3.946 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.060 -0.973 3.420 1.00 0.00 H new ATOM 0 HZ PHE A 4 -3.775 0.023 4.880 1.00 0.00 H new ATOM 87 N PRO A 5 -3.529 -1.421 -1.709 1.00 0.00 N ATOM 88 CA PRO A 5 -3.218 -2.845 -1.656 1.00 0.00 C ATOM 89 C PRO A 5 -2.905 -3.309 -0.232 1.00 0.00 C ATOM 90 O PRO A 5 -3.714 -3.983 0.405 1.00 0.00 O ATOM 91 CB PRO A 5 -1.958 -2.942 -2.518 1.00 0.00 C ATOM 92 CG PRO A 5 -1.986 -1.744 -3.393 1.00 0.00 C ATOM 93 CD PRO A 5 -2.610 -0.679 -2.582 1.00 0.00 C ATOM 0 HA PRO A 5 -4.048 -3.466 -1.993 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -1.060 -2.957 -1.901 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.955 -3.859 -3.107 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.980 -1.462 -3.705 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -2.560 -1.934 -4.300 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -1.869 -0.123 -2.008 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -3.139 0.043 -3.203 1.00 0.00 H new ATOM 101 N TRP A 6 -1.717 -2.911 0.233 1.00 0.00 N ATOM 102 CA TRP A 6 -1.191 -3.223 1.570 1.00 0.00 C ATOM 103 C TRP A 6 0.327 -3.266 1.499 1.00 0.00 C ATOM 104 O TRP A 6 1.032 -2.849 2.418 1.00 0.00 O ATOM 105 CB TRP A 6 -1.720 -4.542 2.126 1.00 0.00 C ATOM 106 CG TRP A 6 -1.183 -5.734 1.423 1.00 0.00 C ATOM 107 CD1 TRP A 6 -1.822 -6.462 0.478 1.00 0.00 C ATOM 108 CD2 TRP A 6 0.096 -6.348 1.618 1.00 0.00 C ATOM 109 NE1 TRP A 6 -1.021 -7.480 0.056 1.00 0.00 N ATOM 110 CE2 TRP A 6 0.162 -7.442 0.744 1.00 0.00 C ATOM 111 CE3 TRP A 6 1.192 -6.073 2.444 1.00 0.00 C ATOM 112 CZ2 TRP A 6 1.280 -8.270 0.669 1.00 0.00 C ATOM 113 CZ3 TRP A 6 2.302 -6.893 2.370 1.00 0.00 C ATOM 114 CH2 TRP A 6 2.338 -7.982 1.489 1.00 0.00 C ATOM 0 H TRP A 6 -1.075 -2.347 -0.324 1.00 0.00 H new ATOM 0 HA TRP A 6 -1.529 -2.441 2.250 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -1.468 -4.609 3.184 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -2.808 -4.547 2.056 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -2.819 -6.265 0.113 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -1.265 -8.164 -0.661 1.00 0.00 H new ATOM 0 HE3 TRP A 6 1.171 -5.236 3.126 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 1.311 -9.108 -0.011 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 3.155 -6.691 3.001 1.00 0.00 H new ATOM 0 HH2 TRP A 6 3.218 -8.607 1.456 1.00 0.00 H new ATOM 125 N TRP A 7 0.804 -3.781 0.372 1.00 0.00 N ATOM 126 CA TRP A 7 2.227 -3.905 0.080 1.00 0.00 C ATOM 127 C TRP A 7 2.719 -2.645 -0.561 1.00 0.00 C ATOM 128 O TRP A 7 3.905 -2.496 -0.854 1.00 0.00 O ATOM 129 CB TRP A 7 2.442 -5.014 -0.935 1.00 0.00 C ATOM 130 CG TRP A 7 1.510 -4.852 -2.091 1.00 0.00 C ATOM 131 CD1 TRP A 7 0.379 -5.545 -2.267 1.00 0.00 C ATOM 132 CD2 TRP A 7 1.574 -3.915 -3.183 1.00 0.00 C ATOM 133 NE1 TRP A 7 -0.267 -5.133 -3.389 1.00 0.00 N ATOM 134 CE2 TRP A 7 0.442 -4.140 -3.979 1.00 0.00 C ATOM 135 CE3 TRP A 7 2.462 -2.920 -3.575 1.00 0.00 C ATOM 136 CZ2 TRP A 7 0.170 -3.412 -5.133 1.00 0.00 C ATOM 137 CZ3 TRP A 7 2.179 -2.190 -4.712 1.00 0.00 C ATOM 138 CH2 TRP A 7 1.049 -2.436 -5.475 1.00 0.00 C ATOM 0 H TRP A 7 0.204 -4.129 -0.376 1.00 0.00 H new ATOM 0 HA TRP A 7 2.753 -4.109 1.012 1.00 0.00 H new ATOM 0 HB2 TRP A 7 3.474 -4.998 -1.287 1.00 0.00 H new ATOM 0 HB3 TRP A 7 2.281 -5.983 -0.463 1.00 0.00 H new ATOM 0 HD1 TRP A 7 0.028 -6.325 -1.608 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -1.149 -5.512 -3.734 1.00 0.00 H new ATOM 0 HE3 TRP A 7 3.355 -2.722 -3.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -0.705 -3.615 -5.732 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 2.857 -1.406 -5.015 1.00 0.00 H new ATOM 0 HH2 TRP A 7 0.864 -1.841 -6.357 1.00 0.00 H new ATOM 149 N TRP A 8 1.777 -1.787 -0.890 1.00 0.00 N ATOM 150 CA TRP A 8 2.096 -0.601 -1.612 1.00 0.00 C ATOM 151 C TRP A 8 2.660 0.554 -0.748 1.00 0.00 C ATOM 152 O TRP A 8 3.440 1.361 -1.244 1.00 0.00 O ATOM 153 CB TRP A 8 0.886 -0.174 -2.378 1.00 0.00 C ATOM 154 CG TRP A 8 0.200 0.821 -1.616 1.00 0.00 C ATOM 155 CD1 TRP A 8 -0.564 0.611 -0.561 1.00 0.00 C ATOM 156 CD2 TRP A 8 0.314 2.189 -1.805 1.00 0.00 C ATOM 157 NE1 TRP A 8 -0.972 1.806 -0.059 1.00 0.00 N ATOM 158 CE2 TRP A 8 -0.444 2.809 -0.834 1.00 0.00 C ATOM 159 CE3 TRP A 8 0.989 2.918 -2.732 1.00 0.00 C ATOM 160 CZ2 TRP A 8 -0.541 4.186 -0.760 1.00 0.00 C ATOM 161 CZ3 TRP A 8 0.910 4.290 -2.685 1.00 0.00 C ATOM 162 CH2 TRP A 8 0.143 4.918 -1.697 1.00 0.00 C ATOM 0 H TRP A 8 0.789 -1.899 -0.664 1.00 0.00 H new ATOM 0 HA TRP A 8 2.916 -0.845 -2.288 1.00 0.00 H new ATOM 0 HB2 TRP A 8 1.174 0.224 -3.351 1.00 0.00 H new ATOM 0 HB3 TRP A 8 0.233 -1.027 -2.563 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.824 -0.357 -0.160 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.570 1.936 0.757 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.578 2.428 -3.493 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -1.132 4.667 0.006 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 1.442 4.885 -3.413 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.089 5.996 -1.672 1.00 0.00 H new ATOM 173 N PRO A 9 2.332 0.633 0.559 1.00 0.00 N ATOM 174 CA PRO A 9 2.869 1.649 1.447 1.00 0.00 C ATOM 175 C PRO A 9 4.120 1.064 2.022 1.00 0.00 C ATOM 176 O PRO A 9 4.527 1.317 3.155 1.00 0.00 O ATOM 177 CB PRO A 9 1.793 1.785 2.521 1.00 0.00 C ATOM 178 CG PRO A 9 1.047 0.481 2.513 1.00 0.00 C ATOM 179 CD PRO A 9 1.502 -0.303 1.303 1.00 0.00 C ATOM 0 HA PRO A 9 3.098 2.611 0.989 1.00 0.00 H new ATOM 0 HB2 PRO A 9 2.236 1.977 3.498 1.00 0.00 H new ATOM 0 HB3 PRO A 9 1.126 2.619 2.304 1.00 0.00 H new ATOM 0 HG2 PRO A 9 1.245 -0.078 3.427 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.028 0.656 2.473 1.00 0.00 H new ATOM 0 HD2 PRO A 9 2.065 -1.190 1.593 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.655 -0.643 0.708 1.00 0.00 H new ATOM 187 N PHE A 10 4.639 0.180 1.206 1.00 0.00 N ATOM 188 CA PHE A 10 5.768 -0.627 1.508 1.00 0.00 C ATOM 189 C PHE A 10 6.772 -0.576 0.358 1.00 0.00 C ATOM 190 O PHE A 10 7.977 -0.453 0.578 1.00 0.00 O ATOM 191 CB PHE A 10 5.188 -2.021 1.697 1.00 0.00 C ATOM 192 CG PHE A 10 6.187 -3.105 1.902 1.00 0.00 C ATOM 193 CD1 PHE A 10 7.164 -3.008 2.873 1.00 0.00 C ATOM 194 CD2 PHE A 10 6.134 -4.233 1.112 1.00 0.00 C ATOM 195 CE1 PHE A 10 8.079 -4.028 3.049 1.00 0.00 C ATOM 196 CE2 PHE A 10 7.037 -5.253 1.277 1.00 0.00 C ATOM 197 CZ PHE A 10 8.016 -5.155 2.249 1.00 0.00 C ATOM 0 H PHE A 10 4.260 0.005 0.275 1.00 0.00 H new ATOM 0 HA PHE A 10 6.313 -0.296 2.392 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.515 -2.003 2.554 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.584 -2.267 0.823 1.00 0.00 H new ATOM 0 HD1 PHE A 10 7.213 -2.129 3.499 1.00 0.00 H new ATOM 0 HD2 PHE A 10 5.371 -4.315 0.352 1.00 0.00 H new ATOM 0 HE1 PHE A 10 8.842 -3.946 3.809 1.00 0.00 H new ATOM 0 HE2 PHE A 10 6.983 -6.130 0.649 1.00 0.00 H new ATOM 0 HZ PHE A 10 8.729 -5.955 2.383 1.00 0.00 H new ATOM 207 N LEU A 11 6.260 -0.656 -0.875 1.00 0.00 N ATOM 208 CA LEU A 11 7.117 -0.599 -2.058 1.00 0.00 C ATOM 209 C LEU A 11 7.504 0.845 -2.366 1.00 0.00 C ATOM 210 O LEU A 11 8.614 1.116 -2.825 1.00 0.00 O ATOM 211 CB LEU A 11 6.441 -1.245 -3.282 1.00 0.00 C ATOM 212 CG LEU A 11 5.611 -0.317 -4.175 1.00 0.00 C ATOM 213 CD1 LEU A 11 5.338 -0.978 -5.517 1.00 0.00 C ATOM 214 CD2 LEU A 11 4.310 0.024 -3.489 1.00 0.00 C ATOM 0 H LEU A 11 5.265 -0.759 -1.076 1.00 0.00 H new ATOM 0 HA LEU A 11 8.020 -1.169 -1.839 1.00 0.00 H new ATOM 0 HB2 LEU A 11 7.215 -1.706 -3.895 1.00 0.00 H new ATOM 0 HB3 LEU A 11 5.794 -2.048 -2.930 1.00 0.00 H new ATOM 0 HG LEU A 11 6.174 0.600 -4.349 1.00 0.00 H new ATOM 0 HD11 LEU A 11 4.747 -0.306 -6.140 1.00 0.00 H new ATOM 0 HD12 LEU A 11 6.283 -1.197 -6.014 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.787 -1.906 -5.360 1.00 0.00 H new ATOM 0 HD21 LEU A 11 3.724 0.684 -4.128 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.748 -0.891 -3.299 1.00 0.00 H new ATOM 0 HD23 LEU A 11 4.518 0.525 -2.544 1.00 0.00 H new ATOM 226 N ARG A 12 6.580 1.771 -2.109 1.00 0.00 N ATOM 227 CA ARG A 12 6.831 3.187 -2.359 1.00 0.00 C ATOM 228 C ARG A 12 7.998 3.695 -1.517 1.00 0.00 C ATOM 229 O ARG A 12 8.918 4.329 -2.035 1.00 0.00 O ATOM 230 CB ARG A 12 5.578 4.025 -2.071 1.00 0.00 C ATOM 231 CG ARG A 12 4.975 3.795 -0.691 1.00 0.00 C ATOM 232 CD ARG A 12 4.379 5.074 -0.126 1.00 0.00 C ATOM 233 NE ARG A 12 3.450 5.711 -1.055 1.00 0.00 N ATOM 234 CZ ARG A 12 2.808 6.846 -0.792 1.00 0.00 C ATOM 235 NH1 ARG A 12 2.975 7.453 0.377 1.00 0.00 N ATOM 236 NH2 ARG A 12 1.997 7.377 -1.697 1.00 0.00 N ATOM 0 H ARG A 12 5.656 1.566 -1.730 1.00 0.00 H new ATOM 0 HA ARG A 12 7.090 3.292 -3.413 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.829 5.081 -2.174 1.00 0.00 H new ATOM 0 HB3 ARG A 12 4.824 3.802 -2.826 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.203 3.028 -0.753 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.743 3.420 -0.015 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.860 4.850 0.806 1.00 0.00 H new ATOM 0 HD3 ARG A 12 5.182 5.770 0.116 1.00 0.00 H new ATOM 0 HE ARG A 12 3.284 5.261 -1.955 1.00 0.00 H new ATOM 0 HH11 ARG A 12 3.597 7.049 1.077 1.00 0.00 H new ATOM 0 HH12 ARG A 12 2.481 8.323 0.575 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.865 6.915 -2.597 1.00 0.00 H new ATOM 0 HH22 ARG A 12 1.506 8.247 -1.493 1.00 0.00 H new ATOM 250 N ARG A 13 7.953 3.419 -0.217 1.00 0.00 N ATOM 251 CA ARG A 13 9.004 3.854 0.695 1.00 0.00 C ATOM 252 C ARG A 13 10.280 3.049 0.469 1.00 0.00 C ATOM 253 O ARG A 13 11.259 3.631 -0.043 1.00 0.00 O ATOM 254 CB ARG A 13 8.532 3.713 2.147 1.00 0.00 C ATOM 255 CG ARG A 13 9.309 4.568 3.139 1.00 0.00 C ATOM 256 CD ARG A 13 10.734 4.075 3.334 1.00 0.00 C ATOM 257 NE ARG A 13 10.776 2.730 3.898 1.00 0.00 N ATOM 258 CZ ARG A 13 11.902 2.086 4.189 1.00 0.00 C ATOM 259 NH1 ARG A 13 13.075 2.664 3.967 1.00 0.00 N ATOM 260 NH2 ARG A 13 11.855 0.867 4.706 1.00 0.00 N ATOM 0 H ARG A 13 7.199 2.896 0.228 1.00 0.00 H new ATOM 0 HA ARG A 13 9.224 4.903 0.497 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.477 3.980 2.202 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.612 2.667 2.444 1.00 0.00 H new ATOM 0 HG2 ARG A 13 9.329 5.600 2.788 1.00 0.00 H new ATOM 0 HG3 ARG A 13 8.792 4.567 4.099 1.00 0.00 H new ATOM 0 HD2 ARG A 13 11.254 4.083 2.376 1.00 0.00 H new ATOM 0 HD3 ARG A 13 11.268 4.761 3.992 1.00 0.00 H new ATOM 0 HE ARG A 13 9.891 2.257 4.079 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.114 3.604 3.573 1.00 0.00 H new ATOM 0 HH12 ARG A 13 13.938 2.169 4.191 1.00 0.00 H new ATOM 0 HH21 ARG A 13 10.954 0.422 4.881 1.00 0.00 H new ATOM 0 HH22 ARG A 13 12.720 0.374 4.929 1.00 0.00 H new HETATM 274 N NH2 A 14 10.229 1.939 -0.258 1.00 0.00 N TER 277 NH2 A 14