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+ -165:sc= -0.132 (180deg=-0.701) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 6.782 4.817 4.192 1.00 0.00 N ATOM 2 CA VAL A 1 6.758 3.415 3.699 1.00 0.00 C ATOM 3 C VAL A 1 7.734 3.236 2.545 1.00 0.00 C ATOM 4 O VAL A 1 8.020 4.188 1.818 1.00 0.00 O ATOM 5 CB VAL A 1 5.346 3.006 3.223 1.00 0.00 C ATOM 6 CG1 VAL A 1 4.296 3.453 4.229 1.00 0.00 C ATOM 7 CG2 VAL A 1 5.046 3.563 1.833 1.00 0.00 C ATOM 0 H1 VAL A 1 6.316 4.866 5.121 1.00 0.00 H new ATOM 0 H2 VAL A 1 7.768 5.137 4.281 1.00 0.00 H new ATOM 0 H3 VAL A 1 6.279 5.430 3.519 1.00 0.00 H new ATOM 0 HA VAL A 1 7.049 2.778 4.534 1.00 0.00 H new ATOM 0 HB VAL A 1 5.314 1.919 3.153 1.00 0.00 H new ATOM 0 HG11 VAL A 1 3.307 3.157 3.879 1.00 0.00 H new ATOM 0 HG12 VAL A 1 4.494 2.986 5.194 1.00 0.00 H new ATOM 0 HG13 VAL A 1 4.333 4.537 4.337 1.00 0.00 H new ATOM 0 HG21 VAL A 1 4.045 3.258 1.527 1.00 0.00 H new ATOM 0 HG22 VAL A 1 5.102 4.651 1.857 1.00 0.00 H new ATOM 0 HG23 VAL A 1 5.776 3.178 1.121 1.00 0.00 H new ATOM 19 N ARG A 2 8.234 2.014 2.371 1.00 0.00 N ATOM 20 CA ARG A 2 9.163 1.728 1.284 1.00 0.00 C ATOM 21 C ARG A 2 8.598 2.277 -0.020 1.00 0.00 C ATOM 22 O ARG A 2 9.012 3.336 -0.493 1.00 0.00 O ATOM 23 CB ARG A 2 9.390 0.219 1.159 1.00 0.00 C ATOM 24 CG ARG A 2 10.057 -0.409 2.370 1.00 0.00 C ATOM 25 CD ARG A 2 10.069 -1.927 2.266 1.00 0.00 C ATOM 26 NE ARG A 2 10.803 -2.550 3.364 1.00 0.00 N ATOM 27 CZ ARG A 2 12.118 -2.438 3.530 1.00 0.00 C ATOM 28 NH1 ARG A 2 12.844 -1.752 2.657 1.00 0.00 N ATOM 29 NH2 ARG A 2 12.709 -3.017 4.566 1.00 0.00 N ATOM 0 H ARG A 2 8.013 1.214 2.964 1.00 0.00 H new ATOM 0 HA ARG A 2 10.119 2.205 1.498 1.00 0.00 H new ATOM 0 HB2 ARG A 2 8.430 -0.270 0.992 1.00 0.00 H new ATOM 0 HB3 ARG A 2 10.003 0.026 0.279 1.00 0.00 H new ATOM 0 HG2 ARG A 2 11.079 -0.040 2.458 1.00 0.00 H new ATOM 0 HG3 ARG A 2 9.530 -0.108 3.276 1.00 0.00 H new ATOM 0 HD2 ARG A 2 9.044 -2.297 2.261 1.00 0.00 H new ATOM 0 HD3 ARG A 2 10.519 -2.221 1.318 1.00 0.00 H new ATOM 0 HE ARG A 2 10.278 -3.102 4.042 1.00 0.00 H new ATOM 0 HH11 ARG A 2 12.394 -1.309 1.856 1.00 0.00 H new ATOM 0 HH12 ARG A 2 13.852 -1.668 2.787 1.00 0.00 H new ATOM 0 HH21 ARG A 2 12.155 -3.549 5.237 1.00 0.00 H new ATOM 0 HH22 ARG A 2 13.717 -2.930 4.692 1.00 0.00 H new ATOM 43 N ARG A 3 7.628 1.559 -0.577 1.00 0.00 N ATOM 44 CA ARG A 3 6.972 1.976 -1.807 1.00 0.00 C ATOM 45 C ARG A 3 5.840 1.024 -2.179 1.00 0.00 C ATOM 46 O ARG A 3 5.479 0.905 -3.350 1.00 0.00 O ATOM 47 CB ARG A 3 7.990 2.080 -2.947 1.00 0.00 C ATOM 48 CG ARG A 3 8.891 0.863 -3.092 1.00 0.00 C ATOM 49 CD ARG A 3 8.125 -0.361 -3.566 1.00 0.00 C ATOM 50 NE ARG A 3 9.017 -1.427 -4.017 1.00 0.00 N ATOM 51 CZ ARG A 3 9.842 -1.313 -5.055 1.00 0.00 C ATOM 52 NH1 ARG A 3 9.867 -0.196 -5.772 1.00 0.00 N ATOM 53 NH2 ARG A 3 10.640 -2.320 -5.383 1.00 0.00 N ATOM 0 H ARG A 3 7.279 0.681 -0.192 1.00 0.00 H new ATOM 0 HA ARG A 3 6.536 2.961 -1.640 1.00 0.00 H new ATOM 0 HB2 ARG A 3 7.455 2.235 -3.884 1.00 0.00 H new ATOM 0 HB3 ARG A 3 8.611 2.961 -2.785 1.00 0.00 H new ATOM 0 HG2 ARG A 3 9.690 1.086 -3.799 1.00 0.00 H new ATOM 0 HG3 ARG A 3 9.364 0.646 -2.134 1.00 0.00 H new ATOM 0 HD2 ARG A 3 7.498 -0.732 -2.755 1.00 0.00 H new ATOM 0 HD3 ARG A 3 7.458 -0.078 -4.381 1.00 0.00 H new ATOM 0 HE ARG A 3 9.007 -2.310 -3.506 1.00 0.00 H new ATOM 0 HH11 ARG A 3 9.252 0.580 -5.528 1.00 0.00 H new ATOM 0 HH12 ARG A 3 10.501 -0.114 -6.567 1.00 0.00 H new ATOM 0 HH21 ARG A 3 10.622 -3.183 -4.840 1.00 0.00 H new ATOM 0 HH22 ARG A 3 11.272 -2.232 -6.179 1.00 0.00 H new ATOM 67 N PHE A 4 5.271 0.359 -1.177 1.00 0.00 N ATOM 68 CA PHE A 4 4.173 -0.565 -1.420 1.00 0.00 C ATOM 69 C PHE A 4 3.264 -0.678 -0.198 1.00 0.00 C ATOM 70 O PHE A 4 2.051 -0.757 -0.330 1.00 0.00 O ATOM 71 CB PHE A 4 4.696 -1.950 -1.823 1.00 0.00 C ATOM 72 CG PHE A 4 5.046 -2.842 -0.663 1.00 0.00 C ATOM 73 CD1 PHE A 4 4.049 -3.485 0.063 1.00 0.00 C ATOM 74 CD2 PHE A 4 6.366 -3.032 -0.295 1.00 0.00 C ATOM 75 CE1 PHE A 4 4.371 -4.300 1.132 1.00 0.00 C ATOM 76 CE2 PHE A 4 6.692 -3.845 0.773 1.00 0.00 C ATOM 77 CZ PHE A 4 5.694 -4.480 1.487 1.00 0.00 C ATOM 0 H PHE A 4 5.550 0.443 -0.200 1.00 0.00 H new ATOM 0 HA PHE A 4 3.586 -0.164 -2.246 1.00 0.00 H new ATOM 0 HB2 PHE A 4 3.942 -2.447 -2.433 1.00 0.00 H new ATOM 0 HB3 PHE A 4 5.580 -1.824 -2.449 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.014 -3.346 -0.211 1.00 0.00 H new ATOM 0 HD2 PHE A 4 7.151 -2.539 -0.849 1.00 0.00 H new ATOM 0 HE1 PHE A 4 3.589 -4.795 1.689 1.00 0.00 H new ATOM 0 HE2 PHE A 4 7.727 -3.984 1.050 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.948 -5.116 2.322 1.00 0.00 H new ATOM 87 N ALA A 5 3.853 -0.698 0.990 1.00 0.00 N ATOM 88 CA ALA A 5 3.077 -0.820 2.220 1.00 0.00 C ATOM 89 C ALA A 5 2.453 0.512 2.637 1.00 0.00 C ATOM 90 O ALA A 5 2.669 1.002 3.745 1.00 0.00 O ATOM 91 CB ALA A 5 3.949 -1.372 3.323 1.00 0.00 C ATOM 0 H ALA A 5 4.861 -0.632 1.130 1.00 0.00 H new ATOM 0 HA ALA A 5 2.255 -1.511 2.032 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.365 -1.461 4.239 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.323 -2.354 3.034 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.790 -0.700 3.493 1.00 0.00 H new ATOM 97 N TRP A 6 1.676 1.075 1.730 1.00 0.00 N ATOM 98 CA TRP A 6 0.987 2.345 1.938 1.00 0.00 C ATOM 99 C TRP A 6 -0.290 2.333 1.136 1.00 0.00 C ATOM 100 O TRP A 6 -1.327 2.837 1.564 1.00 0.00 O ATOM 101 CB TRP A 6 1.811 3.509 1.412 1.00 0.00 C ATOM 102 CG TRP A 6 2.225 3.279 0.004 1.00 0.00 C ATOM 103 CD1 TRP A 6 2.961 2.252 -0.480 1.00 0.00 C ATOM 104 CD2 TRP A 6 1.883 4.083 -1.098 1.00 0.00 C ATOM 105 NE1 TRP A 6 3.059 2.340 -1.843 1.00 0.00 N ATOM 106 CE2 TRP A 6 2.411 3.476 -2.248 1.00 0.00 C ATOM 107 CE3 TRP A 6 1.169 5.255 -1.209 1.00 0.00 C ATOM 108 CZ2 TRP A 6 2.232 4.015 -3.512 1.00 0.00 C ATOM 109 CZ3 TRP A 6 0.993 5.806 -2.461 1.00 0.00 C ATOM 110 CH2 TRP A 6 1.520 5.181 -3.602 1.00 0.00 C ATOM 0 H TRP A 6 1.500 0.661 0.814 1.00 0.00 H new ATOM 0 HA TRP A 6 0.812 2.463 3.007 1.00 0.00 H new ATOM 0 HB2 TRP A 6 1.230 4.429 1.478 1.00 0.00 H new ATOM 0 HB3 TRP A 6 2.694 3.645 2.036 1.00 0.00 H new ATOM 0 HD1 TRP A 6 3.407 1.474 0.122 1.00 0.00 H new ATOM 0 HE1 TRP A 6 3.533 1.673 -2.452 1.00 0.00 H new ATOM 0 HE3 TRP A 6 0.755 5.733 -0.333 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 2.638 3.535 -4.390 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 0.443 6.730 -2.565 1.00 0.00 H new ATOM 0 HH2 TRP A 6 1.360 5.629 -4.571 1.00 0.00 H new ATOM 121 N TRP A 7 -0.176 1.775 -0.061 1.00 0.00 N ATOM 122 CA TRP A 7 -1.274 1.696 -0.973 1.00 0.00 C ATOM 123 C TRP A 7 -2.266 0.680 -0.537 1.00 0.00 C ATOM 124 O TRP A 7 -3.377 0.659 -1.025 1.00 0.00 O ATOM 125 CB TRP A 7 -0.782 1.406 -2.382 1.00 0.00 C ATOM 126 CG TRP A 7 0.011 0.145 -2.517 1.00 0.00 C ATOM 127 CD1 TRP A 7 1.305 0.059 -2.878 1.00 0.00 C ATOM 128 CD2 TRP A 7 -0.432 -1.195 -2.315 1.00 0.00 C ATOM 129 NE1 TRP A 7 1.709 -1.248 -2.926 1.00 0.00 N ATOM 130 CE2 TRP A 7 0.658 -2.038 -2.580 1.00 0.00 C ATOM 131 CE3 TRP A 7 -1.638 -1.764 -1.938 1.00 0.00 C ATOM 132 CZ2 TRP A 7 0.575 -3.414 -2.478 1.00 0.00 C ATOM 133 CZ3 TRP A 7 -1.724 -3.119 -1.831 1.00 0.00 C ATOM 134 CH2 TRP A 7 -0.627 -3.942 -2.100 1.00 0.00 C ATOM 0 H TRP A 7 0.690 1.367 -0.414 1.00 0.00 H new ATOM 0 HA TRP A 7 -1.775 2.664 -0.979 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.642 1.352 -3.049 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -0.170 2.243 -2.718 1.00 0.00 H new ATOM 0 HD1 TRP A 7 1.938 0.906 -3.100 1.00 0.00 H new ATOM 0 HE1 TRP A 7 2.642 -1.574 -3.179 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -2.497 -1.142 -1.732 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 1.425 -4.046 -2.688 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -2.660 -3.567 -1.532 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -0.731 -5.013 -2.008 1.00 0.00 H new ATOM 145 N TRP A 8 -1.875 -0.178 0.369 1.00 0.00 N ATOM 146 CA TRP A 8 -2.794 -1.192 0.805 1.00 0.00 C ATOM 147 C TRP A 8 -4.000 -0.544 1.382 1.00 0.00 C ATOM 148 O TRP A 8 -5.132 -0.817 0.990 1.00 0.00 O ATOM 149 CB TRP A 8 -2.221 -2.085 1.878 1.00 0.00 C ATOM 150 CG TRP A 8 -0.988 -2.731 1.488 1.00 0.00 C ATOM 151 CD1 TRP A 8 0.042 -2.162 0.872 1.00 0.00 C ATOM 152 CD2 TRP A 8 -0.677 -4.068 1.700 1.00 0.00 C ATOM 153 NE1 TRP A 8 1.019 -3.100 0.646 1.00 0.00 N ATOM 154 CE2 TRP A 8 0.589 -4.300 1.163 1.00 0.00 C ATOM 155 CE3 TRP A 8 -1.374 -5.083 2.296 1.00 0.00 C ATOM 156 CZ2 TRP A 8 1.185 -5.556 1.208 1.00 0.00 C ATOM 157 CZ3 TRP A 8 -0.806 -6.326 2.349 1.00 0.00 C ATOM 158 CH2 TRP A 8 0.469 -6.564 1.806 1.00 0.00 C ATOM 0 H TRP A 8 -0.954 -0.196 0.807 1.00 0.00 H new ATOM 0 HA TRP A 8 -3.023 -1.798 -0.072 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -2.045 -1.494 2.777 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -2.956 -2.847 2.137 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.102 -1.121 0.592 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.909 -2.935 0.176 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -2.353 -4.906 2.716 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 2.166 -5.731 0.792 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -1.345 -7.137 2.815 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.892 -7.556 1.860 1.00 0.00 H new ATOM 169 N PRO A 9 -3.756 0.309 2.373 1.00 0.00 N ATOM 170 CA PRO A 9 -4.805 0.986 3.060 1.00 0.00 C ATOM 171 C PRO A 9 -5.890 1.479 2.111 1.00 0.00 C ATOM 172 O PRO A 9 -7.078 1.312 2.387 1.00 0.00 O ATOM 173 CB PRO A 9 -4.060 2.115 3.759 1.00 0.00 C ATOM 174 CG PRO A 9 -2.771 1.480 4.128 1.00 0.00 C ATOM 175 CD PRO A 9 -2.428 0.645 2.945 1.00 0.00 C ATOM 0 HA PRO A 9 -5.357 0.352 3.754 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.915 2.972 3.101 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -4.600 2.474 4.635 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -2.001 2.226 4.327 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.868 0.874 5.029 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.809 1.190 2.233 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -1.874 -0.249 3.230 1.00 0.00 H new ATOM 183 N PHE A 10 -5.489 2.046 0.974 1.00 0.00 N ATOM 184 CA PHE A 10 -6.475 2.498 -0.006 1.00 0.00 C ATOM 185 C PHE A 10 -6.754 1.415 -1.042 1.00 0.00 C ATOM 186 O PHE A 10 -7.899 1.018 -1.249 1.00 0.00 O ATOM 187 CB PHE A 10 -6.039 3.749 -0.753 1.00 0.00 C ATOM 188 CG PHE A 10 -4.665 4.251 -0.452 1.00 0.00 C ATOM 189 CD1 PHE A 10 -4.372 4.906 0.733 1.00 0.00 C ATOM 190 CD2 PHE A 10 -3.667 4.078 -1.382 1.00 0.00 C ATOM 191 CE1 PHE A 10 -3.096 5.376 0.975 1.00 0.00 C ATOM 192 CE2 PHE A 10 -2.403 4.548 -1.155 1.00 0.00 C ATOM 193 CZ PHE A 10 -2.107 5.199 0.026 1.00 0.00 C ATOM 0 H PHE A 10 -4.515 2.201 0.713 1.00 0.00 H new ATOM 0 HA PHE A 10 -7.372 2.725 0.571 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -6.104 3.550 -1.823 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -6.750 4.545 -0.533 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -5.146 5.050 1.472 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -3.885 3.563 -2.306 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -2.872 5.880 1.903 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -1.635 4.410 -1.901 1.00 0.00 H new ATOM 0 HZ PHE A 10 -1.108 5.568 0.207 1.00 0.00 H new ATOM 203 N LEU A 11 -5.698 0.966 -1.715 1.00 0.00 N ATOM 204 CA LEU A 11 -5.827 -0.049 -2.753 1.00 0.00 C ATOM 205 C LEU A 11 -6.645 -1.247 -2.270 1.00 0.00 C ATOM 206 O LEU A 11 -7.636 -1.627 -2.893 1.00 0.00 O ATOM 207 CB LEU A 11 -4.460 -0.539 -3.244 1.00 0.00 C ATOM 208 CG LEU A 11 -3.621 0.473 -4.039 1.00 0.00 C ATOM 209 CD1 LEU A 11 -2.468 -0.243 -4.714 1.00 0.00 C ATOM 210 CD2 LEU A 11 -4.473 1.205 -5.068 1.00 0.00 C ATOM 0 H LEU A 11 -4.744 1.290 -1.559 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.349 0.428 -3.583 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -3.880 -0.860 -2.379 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.616 -1.420 -3.867 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.226 1.218 -3.348 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.873 0.476 -5.278 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.842 -0.718 -3.958 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.858 -1.002 -5.392 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -3.853 1.915 -5.615 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.901 0.484 -5.765 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -5.276 1.741 -4.561 1.00 0.00 H new ATOM 222 N ARG A 12 -6.211 -1.842 -1.163 1.00 0.00 N ATOM 223 CA ARG A 12 -6.884 -3.007 -0.594 1.00 0.00 C ATOM 224 C ARG A 12 -8.007 -2.608 0.357 1.00 0.00 C ATOM 225 O ARG A 12 -8.514 -3.441 1.111 1.00 0.00 O ATOM 226 CB ARG A 12 -5.878 -3.871 0.157 1.00 0.00 C ATOM 227 CG ARG A 12 -4.666 -4.247 -0.666 1.00 0.00 C ATOM 228 CD ARG A 12 -3.788 -5.216 0.091 1.00 0.00 C ATOM 229 NE ARG A 12 -4.450 -6.500 0.318 1.00 0.00 N ATOM 230 CZ ARG A 12 -4.836 -7.319 -0.659 1.00 0.00 C ATOM 231 NH1 ARG A 12 -4.612 -7.000 -1.928 1.00 0.00 N ATOM 232 NH2 ARG A 12 -5.442 -8.461 -0.366 1.00 0.00 N ATOM 0 H ARG A 12 -5.392 -1.535 -0.639 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.321 -3.567 -1.421 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.549 -3.338 1.049 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -6.374 -4.781 0.494 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.984 -4.695 -1.607 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -4.097 -3.351 -0.916 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -2.865 -5.378 -0.466 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.509 -4.778 1.050 1.00 0.00 H new ATOM 0 HE ARG A 12 -4.627 -6.785 1.281 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -4.142 -6.124 -2.158 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -4.909 -7.631 -2.673 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.613 -8.713 0.608 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -5.738 -9.088 -1.114 1.00 0.00 H new ATOM 246 N ARG A 13 -8.386 -1.339 0.324 1.00 0.00 N ATOM 247 CA ARG A 13 -9.449 -0.832 1.192 1.00 0.00 C ATOM 248 C ARG A 13 -10.687 -1.721 1.116 1.00 0.00 C ATOM 249 O ARG A 13 -11.432 -1.607 0.120 1.00 0.00 O ATOM 250 CB ARG A 13 -9.821 0.601 0.807 1.00 0.00 C ATOM 251 CG ARG A 13 -10.897 1.211 1.690 1.00 0.00 C ATOM 252 CD ARG A 13 -11.290 2.597 1.208 1.00 0.00 C ATOM 253 NE ARG A 13 -10.149 3.507 1.169 1.00 0.00 N ATOM 254 CZ ARG A 13 -10.225 4.766 0.751 1.00 0.00 C ATOM 255 NH1 ARG A 13 -11.385 5.263 0.342 1.00 0.00 N ATOM 256 NH2 ARG A 13 -9.140 5.527 0.741 1.00 0.00 N ATOM 0 H ARG A 13 -7.976 -0.638 -0.293 1.00 0.00 H new ATOM 0 HA ARG A 13 -9.074 -0.841 2.215 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.928 1.224 0.855 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -10.163 0.613 -0.228 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.774 0.564 1.697 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.537 1.270 2.717 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.729 2.524 0.213 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.057 3.006 1.866 1.00 0.00 H new ATOM 0 HE ARG A 13 -9.243 3.157 1.480 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -12.221 4.678 0.348 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -11.441 6.230 0.022 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -8.247 5.146 1.054 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -9.198 6.494 0.420 1.00 0.00 H new HETATM 270 N NH2 A 14 -10.917 -2.592 2.091 1.00 0.00 N TER 273 NH2 A 14