USER MOD reduce.3.24.130724 H: found=0, std=0, add=132, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 134 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= -1.58 (180deg=-1.87!) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 4.711 -4.567 3.206 1.00 0.00 N ATOM 2 CA VAL A 1 5.785 -4.471 2.184 1.00 0.00 C ATOM 3 C VAL A 1 6.596 -3.188 2.356 1.00 0.00 C ATOM 4 O VAL A 1 6.668 -2.635 3.454 1.00 0.00 O ATOM 5 CB VAL A 1 5.192 -4.511 0.760 1.00 0.00 C ATOM 6 CG1 VAL A 1 4.560 -5.867 0.484 1.00 0.00 C ATOM 7 CG2 VAL A 1 4.172 -3.395 0.568 1.00 0.00 C ATOM 0 H1 VAL A 1 4.345 -5.540 3.235 1.00 0.00 H new ATOM 0 H2 VAL A 1 5.096 -4.314 4.139 1.00 0.00 H new ATOM 0 H3 VAL A 1 3.940 -3.914 2.961 1.00 0.00 H new ATOM 0 HA VAL A 1 6.444 -5.328 2.324 1.00 0.00 H new ATOM 0 HB VAL A 1 6.003 -4.357 0.048 1.00 0.00 H new ATOM 0 HG11 VAL A 1 4.147 -5.877 -0.525 1.00 0.00 H new ATOM 0 HG12 VAL A 1 5.317 -6.646 0.574 1.00 0.00 H new ATOM 0 HG13 VAL A 1 3.763 -6.050 1.204 1.00 0.00 H new ATOM 0 HG21 VAL A 1 3.767 -3.442 -0.443 1.00 0.00 H new ATOM 0 HG22 VAL A 1 3.363 -3.513 1.289 1.00 0.00 H new ATOM 0 HG23 VAL A 1 4.655 -2.430 0.720 1.00 0.00 H new ATOM 19 N ARG A 2 7.197 -2.713 1.266 1.00 0.00 N ATOM 20 CA ARG A 2 7.991 -1.488 1.299 1.00 0.00 C ATOM 21 C ARG A 2 7.076 -0.279 1.500 1.00 0.00 C ATOM 22 O ARG A 2 6.208 -0.295 2.371 1.00 0.00 O ATOM 23 CB ARG A 2 8.799 -1.348 0.004 1.00 0.00 C ATOM 24 CG ARG A 2 9.745 -2.511 -0.271 1.00 0.00 C ATOM 25 CD ARG A 2 10.874 -2.588 0.750 1.00 0.00 C ATOM 26 NE ARG A 2 10.403 -2.987 2.074 1.00 0.00 N ATOM 27 CZ ARG A 2 11.199 -3.112 3.133 1.00 0.00 C ATOM 28 NH1 ARG A 2 12.497 -2.862 3.025 1.00 0.00 N ATOM 29 NH2 ARG A 2 10.695 -3.486 4.301 1.00 0.00 N ATOM 0 H ARG A 2 7.149 -3.159 0.350 1.00 0.00 H new ATOM 0 HA ARG A 2 8.689 -1.537 2.135 1.00 0.00 H new ATOM 0 HB2 ARG A 2 8.108 -1.251 -0.833 1.00 0.00 H new ATOM 0 HB3 ARG A 2 9.378 -0.426 0.048 1.00 0.00 H new ATOM 0 HG2 ARG A 2 9.183 -3.445 -0.260 1.00 0.00 H new ATOM 0 HG3 ARG A 2 10.167 -2.405 -1.270 1.00 0.00 H new ATOM 0 HD2 ARG A 2 11.624 -3.300 0.405 1.00 0.00 H new ATOM 0 HD3 ARG A 2 11.364 -1.617 0.819 1.00 0.00 H new ATOM 0 HE ARG A 2 9.409 -3.181 2.193 1.00 0.00 H new ATOM 0 HH11 ARG A 2 12.888 -2.573 2.128 1.00 0.00 H new ATOM 0 HH12 ARG A 2 13.104 -2.959 3.839 1.00 0.00 H new ATOM 0 HH21 ARG A 2 9.697 -3.678 4.388 1.00 0.00 H new ATOM 0 HH22 ARG A 2 11.305 -3.582 5.113 1.00 0.00 H new ATOM 43 N ARG A 3 7.254 0.762 0.688 1.00 0.00 N ATOM 44 CA ARG A 3 6.414 1.949 0.792 1.00 0.00 C ATOM 45 C ARG A 3 4.953 1.571 0.572 1.00 0.00 C ATOM 46 O ARG A 3 4.053 2.128 1.188 1.00 0.00 O ATOM 47 CB ARG A 3 6.847 3.009 -0.223 1.00 0.00 C ATOM 48 CG ARG A 3 6.845 2.514 -1.660 1.00 0.00 C ATOM 49 CD ARG A 3 7.300 3.600 -2.623 1.00 0.00 C ATOM 50 NE ARG A 3 7.366 3.122 -4.003 1.00 0.00 N ATOM 51 CZ ARG A 3 8.205 2.176 -4.420 1.00 0.00 C ATOM 52 NH1 ARG A 3 9.060 1.619 -3.572 1.00 0.00 N ATOM 53 NH2 ARG A 3 8.193 1.791 -5.689 1.00 0.00 N ATOM 0 H ARG A 3 7.966 0.806 -0.042 1.00 0.00 H new ATOM 0 HA ARG A 3 6.526 2.369 1.792 1.00 0.00 H new ATOM 0 HB2 ARG A 3 6.182 3.869 -0.143 1.00 0.00 H new ATOM 0 HB3 ARG A 3 7.849 3.356 0.031 1.00 0.00 H new ATOM 0 HG2 ARG A 3 7.502 1.649 -1.749 1.00 0.00 H new ATOM 0 HG3 ARG A 3 5.842 2.183 -1.931 1.00 0.00 H new ATOM 0 HD2 ARG A 3 6.614 4.445 -2.565 1.00 0.00 H new ATOM 0 HD3 ARG A 3 8.281 3.965 -2.319 1.00 0.00 H new ATOM 0 HE ARG A 3 6.732 3.537 -4.686 1.00 0.00 H new ATOM 0 HH11 ARG A 3 9.076 1.915 -2.596 1.00 0.00 H new ATOM 0 HH12 ARG A 3 9.701 0.895 -3.896 1.00 0.00 H new ATOM 0 HH21 ARG A 3 7.541 2.220 -6.346 1.00 0.00 H new ATOM 0 HH22 ARG A 3 8.836 1.066 -6.008 1.00 0.00 H new ATOM 67 N PHE A 4 4.729 0.605 -0.304 1.00 0.00 N ATOM 68 CA PHE A 4 3.382 0.136 -0.601 1.00 0.00 C ATOM 69 C PHE A 4 2.639 -0.226 0.670 1.00 0.00 C ATOM 70 O PHE A 4 1.417 -0.200 0.723 1.00 0.00 O ATOM 71 CB PHE A 4 3.447 -1.068 -1.534 1.00 0.00 C ATOM 72 CG PHE A 4 3.934 -0.726 -2.910 1.00 0.00 C ATOM 73 CD1 PHE A 4 4.118 0.596 -3.280 1.00 0.00 C ATOM 74 CD2 PHE A 4 4.230 -1.721 -3.821 1.00 0.00 C ATOM 75 CE1 PHE A 4 4.586 0.920 -4.531 1.00 0.00 C ATOM 76 CE2 PHE A 4 4.696 -1.405 -5.080 1.00 0.00 C ATOM 77 CZ PHE A 4 4.876 -0.081 -5.438 1.00 0.00 C ATOM 0 H PHE A 4 5.465 0.128 -0.825 1.00 0.00 H new ATOM 0 HA PHE A 4 2.837 0.942 -1.092 1.00 0.00 H new ATOM 0 HB2 PHE A 4 4.105 -1.820 -1.100 1.00 0.00 H new ATOM 0 HB3 PHE A 4 2.456 -1.516 -1.608 1.00 0.00 H new ATOM 0 HD1 PHE A 4 3.891 1.383 -2.576 1.00 0.00 H new ATOM 0 HD2 PHE A 4 4.095 -2.756 -3.545 1.00 0.00 H new ATOM 0 HE1 PHE A 4 4.727 1.955 -4.805 1.00 0.00 H new ATOM 0 HE2 PHE A 4 4.920 -2.191 -5.786 1.00 0.00 H new ATOM 0 HZ PHE A 4 5.242 0.169 -6.423 1.00 0.00 H new ATOM 87 N ALA A 5 3.386 -0.575 1.690 1.00 0.00 N ATOM 88 CA ALA A 5 2.800 -0.959 2.954 1.00 0.00 C ATOM 89 C ALA A 5 1.863 0.112 3.515 1.00 0.00 C ATOM 90 O ALA A 5 0.808 -0.212 4.060 1.00 0.00 O ATOM 91 CB ALA A 5 3.901 -1.282 3.941 1.00 0.00 C ATOM 0 H ALA A 5 4.405 -0.601 1.670 1.00 0.00 H new ATOM 0 HA ALA A 5 2.188 -1.845 2.784 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.461 -1.572 4.895 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.506 -2.103 3.556 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.531 -0.404 4.084 1.00 0.00 H new ATOM 97 N TRP A 6 2.249 1.382 3.402 1.00 0.00 N ATOM 98 CA TRP A 6 1.421 2.464 3.930 1.00 0.00 C ATOM 99 C TRP A 6 0.335 2.920 2.951 1.00 0.00 C ATOM 100 O TRP A 6 -0.247 3.988 3.145 1.00 0.00 O ATOM 101 CB TRP A 6 2.285 3.662 4.345 1.00 0.00 C ATOM 102 CG TRP A 6 3.216 4.120 3.275 1.00 0.00 C ATOM 103 CD1 TRP A 6 4.555 3.919 3.243 1.00 0.00 C ATOM 104 CD2 TRP A 6 2.883 4.833 2.077 1.00 0.00 C ATOM 105 NE1 TRP A 6 5.081 4.459 2.101 1.00 0.00 N ATOM 106 CE2 TRP A 6 4.073 5.026 1.362 1.00 0.00 C ATOM 107 CE3 TRP A 6 1.695 5.320 1.540 1.00 0.00 C ATOM 108 CZ2 TRP A 6 4.103 5.685 0.127 1.00 0.00 C ATOM 109 CZ3 TRP A 6 1.716 5.957 0.312 1.00 0.00 C ATOM 110 CH2 TRP A 6 2.907 6.130 -0.383 1.00 0.00 C ATOM 0 H TRP A 6 3.116 1.684 2.957 1.00 0.00 H new ATOM 0 HA TRP A 6 0.916 2.058 4.806 1.00 0.00 H new ATOM 0 HB2 TRP A 6 1.634 4.489 4.628 1.00 0.00 H new ATOM 0 HB3 TRP A 6 2.863 3.394 5.229 1.00 0.00 H new ATOM 0 HD1 TRP A 6 5.124 3.408 4.006 1.00 0.00 H new ATOM 0 HE1 TRP A 6 6.067 4.443 1.840 1.00 0.00 H new ATOM 0 HE3 TRP A 6 0.765 5.202 2.077 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 5.031 5.838 -0.405 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 0.794 6.325 -0.113 1.00 0.00 H new ATOM 0 HH2 TRP A 6 2.892 6.624 -1.343 1.00 0.00 H new ATOM 121 N TRP A 7 0.048 2.137 1.901 1.00 0.00 N ATOM 122 CA TRP A 7 -0.975 2.559 0.938 1.00 0.00 C ATOM 123 C TRP A 7 -1.419 1.480 -0.028 1.00 0.00 C ATOM 124 O TRP A 7 -2.604 1.358 -0.310 1.00 0.00 O ATOM 125 CB TRP A 7 -0.468 3.721 0.147 1.00 0.00 C ATOM 126 CG TRP A 7 0.559 3.318 -0.827 1.00 0.00 C ATOM 127 CD1 TRP A 7 1.878 3.056 -0.619 1.00 0.00 C ATOM 128 CD2 TRP A 7 0.313 3.107 -2.178 1.00 0.00 C ATOM 129 NE1 TRP A 7 2.473 2.732 -1.802 1.00 0.00 N ATOM 130 CE2 TRP A 7 1.517 2.745 -2.775 1.00 0.00 C ATOM 131 CE3 TRP A 7 -0.829 3.201 -2.935 1.00 0.00 C ATOM 132 CZ2 TRP A 7 1.610 2.476 -4.113 1.00 0.00 C ATOM 133 CZ3 TRP A 7 -0.751 2.933 -4.257 1.00 0.00 C ATOM 134 CH2 TRP A 7 0.463 2.569 -4.852 1.00 0.00 C ATOM 0 H TRP A 7 0.492 1.241 1.702 1.00 0.00 H new ATOM 0 HA TRP A 7 -1.847 2.820 1.537 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -1.299 4.193 -0.377 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -0.053 4.467 0.824 1.00 0.00 H new ATOM 0 HD1 TRP A 7 2.377 3.098 0.338 1.00 0.00 H new ATOM 0 HE1 TRP A 7 3.461 2.517 -1.936 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -1.769 3.483 -2.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 2.551 2.201 -4.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -1.641 3.001 -4.865 1.00 0.00 H new ATOM 0 HH2 TRP A 7 0.494 2.358 -5.911 1.00 0.00 H new ATOM 145 N TRP A 8 -0.498 0.713 -0.561 1.00 0.00 N ATOM 146 CA TRP A 8 -0.885 -0.328 -1.481 1.00 0.00 C ATOM 147 C TRP A 8 -1.963 -1.143 -0.794 1.00 0.00 C ATOM 148 O TRP A 8 -2.856 -1.707 -1.423 1.00 0.00 O ATOM 149 CB TRP A 8 0.313 -1.181 -1.840 1.00 0.00 C ATOM 150 CG TRP A 8 0.292 -2.530 -1.216 1.00 0.00 C ATOM 151 CD1 TRP A 8 0.897 -2.918 -0.061 1.00 0.00 C ATOM 152 CD2 TRP A 8 -0.371 -3.669 -1.733 1.00 0.00 C ATOM 153 NE1 TRP A 8 0.662 -4.254 0.162 1.00 0.00 N ATOM 154 CE2 TRP A 8 -0.118 -4.737 -0.857 1.00 0.00 C ATOM 155 CE3 TRP A 8 -1.153 -3.877 -2.863 1.00 0.00 C ATOM 156 CZ2 TRP A 8 -0.622 -6.011 -1.082 1.00 0.00 C ATOM 157 CZ3 TRP A 8 -1.658 -5.144 -3.089 1.00 0.00 C ATOM 158 CH2 TRP A 8 -1.387 -6.197 -2.201 1.00 0.00 C ATOM 0 H TRP A 8 0.503 0.787 -0.379 1.00 0.00 H new ATOM 0 HA TRP A 8 -1.266 0.086 -2.414 1.00 0.00 H new ATOM 0 HB2 TRP A 8 0.358 -1.292 -2.923 1.00 0.00 H new ATOM 0 HB3 TRP A 8 1.222 -0.663 -1.535 1.00 0.00 H new ATOM 0 HD1 TRP A 8 1.475 -2.273 0.584 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.010 -4.796 0.953 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -1.361 -3.068 -3.548 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -0.418 -6.823 -0.400 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -2.269 -5.326 -3.961 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -1.792 -7.177 -2.406 1.00 0.00 H new ATOM 169 N ALA A 9 -1.879 -1.139 0.531 1.00 0.00 N ATOM 170 CA ALA A 9 -2.850 -1.804 1.361 1.00 0.00 C ATOM 171 C ALA A 9 -4.087 -0.909 1.441 1.00 0.00 C ATOM 172 O ALA A 9 -5.228 -1.370 1.400 1.00 0.00 O ATOM 173 CB ALA A 9 -2.269 -2.069 2.739 1.00 0.00 C ATOM 0 H ALA A 9 -1.134 -0.673 1.050 1.00 0.00 H new ATOM 0 HA ALA A 9 -3.124 -2.770 0.937 1.00 0.00 H new ATOM 0 HB1 ALA A 9 -3.013 -2.572 3.357 1.00 0.00 H new ATOM 0 HB2 ALA A 9 -1.386 -2.702 2.646 1.00 0.00 H new ATOM 0 HB3 ALA A 9 -1.990 -1.124 3.204 1.00 0.00 H new ATOM 179 N PHE A 10 -3.811 0.395 1.511 1.00 0.00 N ATOM 180 CA PHE A 10 -4.830 1.445 1.545 1.00 0.00 C ATOM 181 C PHE A 10 -5.804 1.273 0.374 1.00 0.00 C ATOM 182 O PHE A 10 -7.016 1.422 0.537 1.00 0.00 O ATOM 183 CB PHE A 10 -4.108 2.820 1.485 1.00 0.00 C ATOM 184 CG PHE A 10 -4.776 3.906 0.680 1.00 0.00 C ATOM 185 CD1 PHE A 10 -6.121 4.208 0.844 1.00 0.00 C ATOM 186 CD2 PHE A 10 -4.036 4.634 -0.250 1.00 0.00 C ATOM 187 CE1 PHE A 10 -6.717 5.205 0.096 1.00 0.00 C ATOM 188 CE2 PHE A 10 -4.631 5.631 -0.997 1.00 0.00 C ATOM 189 CZ PHE A 10 -5.972 5.916 -0.826 1.00 0.00 C ATOM 0 H PHE A 10 -2.858 0.756 1.546 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.414 1.384 2.463 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -3.983 3.182 2.505 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -3.109 2.661 1.078 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -6.708 3.657 1.564 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -2.987 4.416 -0.388 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -7.765 5.429 0.232 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -4.048 6.188 -1.715 1.00 0.00 H new ATOM 0 HZ PHE A 10 -6.438 6.694 -1.412 1.00 0.00 H new ATOM 199 N LEU A 11 -5.266 0.963 -0.806 1.00 0.00 N ATOM 200 CA LEU A 11 -6.087 0.782 -1.999 1.00 0.00 C ATOM 201 C LEU A 11 -6.818 -0.560 -1.987 1.00 0.00 C ATOM 202 O LEU A 11 -7.975 -0.639 -2.401 1.00 0.00 O ATOM 203 CB LEU A 11 -5.238 0.935 -3.272 1.00 0.00 C ATOM 204 CG LEU A 11 -4.061 -0.032 -3.418 1.00 0.00 C ATOM 205 CD1 LEU A 11 -4.526 -1.391 -3.923 1.00 0.00 C ATOM 206 CD2 LEU A 11 -3.010 0.550 -4.348 1.00 0.00 C ATOM 0 H LEU A 11 -4.266 0.833 -0.959 1.00 0.00 H new ATOM 0 HA LEU A 11 -6.847 1.564 -1.996 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -5.891 0.813 -4.136 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -4.851 1.953 -3.306 1.00 0.00 H new ATOM 0 HG LEU A 11 -3.617 -0.174 -2.433 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -3.668 -2.057 -4.017 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -5.240 -1.816 -3.218 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.003 -1.274 -4.896 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.179 -0.150 -4.442 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.450 0.725 -5.330 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -2.646 1.493 -3.941 1.00 0.00 H new ATOM 218 N ARG A 12 -6.153 -1.615 -1.509 1.00 0.00 N ATOM 219 CA ARG A 12 -6.778 -2.936 -1.454 1.00 0.00 C ATOM 220 C ARG A 12 -7.776 -3.005 -0.299 1.00 0.00 C ATOM 221 O ARG A 12 -8.068 -4.080 0.225 1.00 0.00 O ATOM 222 CB ARG A 12 -5.726 -4.041 -1.301 1.00 0.00 C ATOM 223 CG ARG A 12 -4.974 -3.994 0.017 1.00 0.00 C ATOM 224 CD ARG A 12 -4.029 -5.176 0.169 1.00 0.00 C ATOM 225 NE ARG A 12 -4.737 -6.454 0.138 1.00 0.00 N ATOM 226 CZ ARG A 12 -4.139 -7.634 0.277 1.00 0.00 C ATOM 227 NH1 ARG A 12 -2.827 -7.700 0.465 1.00 0.00 N ATOM 228 NH2 ARG A 12 -4.852 -8.751 0.230 1.00 0.00 N ATOM 0 H ARG A 12 -5.195 -1.581 -1.159 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.307 -3.094 -2.394 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -6.215 -5.011 -1.395 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -5.010 -3.964 -2.120 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.407 -3.065 0.080 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.686 -3.989 0.842 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.289 -5.153 -0.631 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -3.485 -5.086 1.109 1.00 0.00 H new ATOM 0 HE ARG A 12 -5.748 -6.440 0.002 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -2.274 -6.844 0.503 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -2.372 -8.607 0.571 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -5.861 -8.706 0.087 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -4.392 -9.655 0.337 1.00 0.00 H new ATOM 242 N ARG A 13 -8.292 -1.842 0.086 1.00 0.00 N ATOM 243 CA ARG A 13 -9.256 -1.736 1.172 1.00 0.00 C ATOM 244 C ARG A 13 -10.632 -2.227 0.732 1.00 0.00 C ATOM 245 O ARG A 13 -10.715 -3.365 0.223 1.00 0.00 O ATOM 246 CB ARG A 13 -9.334 -0.280 1.635 1.00 0.00 C ATOM 247 CG ARG A 13 -10.329 -0.031 2.754 1.00 0.00 C ATOM 248 CD ARG A 13 -10.323 1.430 3.173 1.00 0.00 C ATOM 249 NE ARG A 13 -10.696 2.318 2.076 1.00 0.00 N ATOM 250 CZ ARG A 13 -10.740 3.643 2.180 1.00 0.00 C ATOM 251 NH1 ARG A 13 -10.437 4.233 3.329 1.00 0.00 N ATOM 252 NH2 ARG A 13 -11.086 4.379 1.133 1.00 0.00 N ATOM 0 H ARG A 13 -8.053 -0.949 -0.346 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.927 -2.366 1.999 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.345 0.036 1.967 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -9.600 0.346 0.783 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -11.329 -0.315 2.426 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -10.084 -0.660 3.610 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -11.014 1.571 4.004 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -9.331 1.699 3.535 1.00 0.00 H new ATOM 0 HE ARG A 13 -10.937 1.898 1.178 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -10.169 3.670 4.136 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -10.472 5.250 3.405 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -11.318 3.929 0.248 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -11.120 5.395 1.213 1.00 0.00 H new HETATM 266 N NH2 A 14 -11.394 -1.437 -0.013 1.00 0.00 N TER 269 NH2 A 14