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+ 138:sc= 0.0252 (180deg=-0.225) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 19.435 -6.042 -4.192 1.00 0.00 N ATOM 2 CA VAL A 1 19.196 -4.611 -3.874 1.00 0.00 C ATOM 3 C VAL A 1 19.847 -4.226 -2.549 1.00 0.00 C ATOM 4 O VAL A 1 20.129 -5.084 -1.713 1.00 0.00 O ATOM 5 CB VAL A 1 17.686 -4.300 -3.803 1.00 0.00 C ATOM 6 CG1 VAL A 1 17.021 -5.111 -2.701 1.00 0.00 C ATOM 7 CG2 VAL A 1 17.455 -2.810 -3.594 1.00 0.00 C ATOM 0 H1 VAL A 1 18.562 -6.465 -4.567 1.00 0.00 H new ATOM 0 H2 VAL A 1 20.190 -6.118 -4.904 1.00 0.00 H new ATOM 0 H3 VAL A 1 19.721 -6.546 -3.329 1.00 0.00 H new ATOM 0 HA VAL A 1 19.644 -4.026 -4.677 1.00 0.00 H new ATOM 0 HB VAL A 1 17.233 -4.584 -4.753 1.00 0.00 H new ATOM 0 HG11 VAL A 1 15.957 -4.877 -2.668 1.00 0.00 H new ATOM 0 HG12 VAL A 1 17.152 -6.174 -2.902 1.00 0.00 H new ATOM 0 HG13 VAL A 1 17.477 -4.864 -1.742 1.00 0.00 H new ATOM 0 HG21 VAL A 1 16.384 -2.611 -3.547 1.00 0.00 H new ATOM 0 HG22 VAL A 1 17.924 -2.496 -2.661 1.00 0.00 H new ATOM 0 HG23 VAL A 1 17.891 -2.254 -4.424 1.00 0.00 H new ATOM 19 N ARG A 2 20.084 -2.932 -2.365 1.00 0.00 N ATOM 20 CA ARG A 2 20.703 -2.434 -1.144 1.00 0.00 C ATOM 21 C ARG A 2 20.410 -0.955 -0.948 1.00 0.00 C ATOM 22 O ARG A 2 20.560 -0.147 -1.865 1.00 0.00 O ATOM 23 CB ARG A 2 22.214 -2.673 -1.174 1.00 0.00 C ATOM 24 CG ARG A 2 22.685 -3.723 -0.180 1.00 0.00 C ATOM 25 CD ARG A 2 24.202 -3.785 -0.113 1.00 0.00 C ATOM 26 NE ARG A 2 24.670 -4.943 0.643 1.00 0.00 N ATOM 27 CZ ARG A 2 24.700 -4.998 1.973 1.00 0.00 C ATOM 28 NH1 ARG A 2 24.285 -3.966 2.697 1.00 0.00 N ATOM 29 NH2 ARG A 2 25.143 -6.090 2.581 1.00 0.00 N ATOM 0 H ARG A 2 19.856 -2.209 -3.047 1.00 0.00 H new ATOM 0 HA ARG A 2 20.276 -2.981 -0.303 1.00 0.00 H new ATOM 0 HB2 ARG A 2 22.505 -2.980 -2.179 1.00 0.00 H new ATOM 0 HB3 ARG A 2 22.726 -1.733 -0.967 1.00 0.00 H new ATOM 0 HG2 ARG A 2 22.285 -3.496 0.808 1.00 0.00 H new ATOM 0 HG3 ARG A 2 22.292 -4.699 -0.466 1.00 0.00 H new ATOM 0 HD2 ARG A 2 24.608 -3.824 -1.124 1.00 0.00 H new ATOM 0 HD3 ARG A 2 24.582 -2.873 0.348 1.00 0.00 H new ATOM 0 HE ARG A 2 24.993 -5.758 0.122 1.00 0.00 H new ATOM 0 HH11 ARG A 2 23.941 -3.124 2.235 1.00 0.00 H new ATOM 0 HH12 ARG A 2 24.311 -4.014 3.716 1.00 0.00 H new ATOM 0 HH21 ARG A 2 25.461 -6.887 2.030 1.00 0.00 H new ATOM 0 HH22 ARG A 2 25.166 -6.133 3.600 1.00 0.00 H new ATOM 43 N ARG A 3 19.990 -0.618 0.260 1.00 0.00 N ATOM 44 CA ARG A 3 19.666 0.755 0.610 1.00 0.00 C ATOM 45 C ARG A 3 20.923 1.618 0.649 1.00 0.00 C ATOM 46 O ARG A 3 21.369 2.033 1.718 1.00 0.00 O ATOM 47 CB ARG A 3 18.966 0.774 1.966 1.00 0.00 C ATOM 48 CG ARG A 3 18.500 2.155 2.397 1.00 0.00 C ATOM 49 CD ARG A 3 17.225 2.080 3.220 1.00 0.00 C ATOM 50 NE ARG A 3 17.503 1.988 4.651 1.00 0.00 N ATOM 51 CZ ARG A 3 16.629 1.539 5.550 1.00 0.00 C ATOM 52 NH1 ARG A 3 15.421 1.141 5.169 1.00 0.00 N ATOM 53 NH2 ARG A 3 16.964 1.486 6.831 1.00 0.00 N ATOM 0 H ARG A 3 19.864 -1.284 1.022 1.00 0.00 H new ATOM 0 HA ARG A 3 19.002 1.168 -0.149 1.00 0.00 H new ATOM 0 HB2 ARG A 3 18.106 0.106 1.930 1.00 0.00 H new ATOM 0 HB3 ARG A 3 19.646 0.378 2.721 1.00 0.00 H new ATOM 0 HG2 ARG A 3 19.283 2.639 2.981 1.00 0.00 H new ATOM 0 HG3 ARG A 3 18.330 2.774 1.516 1.00 0.00 H new ATOM 0 HD2 ARG A 3 16.615 2.962 3.025 1.00 0.00 H new ATOM 0 HD3 ARG A 3 16.642 1.214 2.907 1.00 0.00 H new ATOM 0 HE ARG A 3 18.421 2.285 4.981 1.00 0.00 H new ATOM 0 HH11 ARG A 3 15.159 1.178 4.184 1.00 0.00 H new ATOM 0 HH12 ARG A 3 14.755 0.798 5.861 1.00 0.00 H new ATOM 0 HH21 ARG A 3 17.891 1.789 7.129 1.00 0.00 H new ATOM 0 HH22 ARG A 3 16.295 1.142 7.519 1.00 0.00 H new ATOM 67 N PHE A 4 21.489 1.874 -0.531 1.00 0.00 N ATOM 68 CA PHE A 4 22.694 2.671 -0.674 1.00 0.00 C ATOM 69 C PHE A 4 22.772 3.810 0.346 1.00 0.00 C ATOM 70 O PHE A 4 22.225 4.894 0.140 1.00 0.00 O ATOM 71 CB PHE A 4 22.759 3.213 -2.101 1.00 0.00 C ATOM 72 CG PHE A 4 21.970 4.477 -2.320 1.00 0.00 C ATOM 73 CD1 PHE A 4 20.614 4.519 -2.038 1.00 0.00 C ATOM 74 CD2 PHE A 4 22.585 5.619 -2.806 1.00 0.00 C ATOM 75 CE1 PHE A 4 19.886 5.676 -2.238 1.00 0.00 C ATOM 76 CE2 PHE A 4 21.862 6.780 -3.007 1.00 0.00 C ATOM 77 CZ PHE A 4 20.511 6.808 -2.724 1.00 0.00 C ATOM 0 H PHE A 4 21.117 1.529 -1.416 1.00 0.00 H new ATOM 0 HA PHE A 4 23.553 2.030 -0.477 1.00 0.00 H new ATOM 0 HB2 PHE A 4 23.801 3.400 -2.359 1.00 0.00 H new ATOM 0 HB3 PHE A 4 22.394 2.447 -2.785 1.00 0.00 H new ATOM 0 HD1 PHE A 4 20.120 3.637 -1.657 1.00 0.00 H new ATOM 0 HD2 PHE A 4 23.641 5.602 -3.030 1.00 0.00 H new ATOM 0 HE1 PHE A 4 18.830 5.695 -2.015 1.00 0.00 H new ATOM 0 HE2 PHE A 4 22.354 7.664 -3.385 1.00 0.00 H new ATOM 0 HZ PHE A 4 19.944 7.713 -2.882 1.00 0.00 H new ATOM 87 N PRO A 5 23.469 3.579 1.463 1.00 0.00 N ATOM 88 CA PRO A 5 23.630 4.590 2.506 1.00 0.00 C ATOM 89 C PRO A 5 24.527 5.736 2.039 1.00 0.00 C ATOM 90 O PRO A 5 24.531 6.087 0.861 1.00 0.00 O ATOM 91 CB PRO A 5 24.263 3.797 3.656 1.00 0.00 C ATOM 92 CG PRO A 5 24.987 2.681 2.996 1.00 0.00 C ATOM 93 CD PRO A 5 24.162 2.318 1.794 1.00 0.00 C ATOM 0 HA PRO A 5 22.695 5.073 2.789 1.00 0.00 H new ATOM 0 HB2 PRO A 5 24.942 4.419 4.238 1.00 0.00 H new ATOM 0 HB3 PRO A 5 23.504 3.424 4.344 1.00 0.00 H new ATOM 0 HG2 PRO A 5 25.992 2.985 2.704 1.00 0.00 H new ATOM 0 HG3 PRO A 5 25.094 1.831 3.669 1.00 0.00 H new ATOM 0 HD2 PRO A 5 24.784 1.973 0.969 1.00 0.00 H new ATOM 0 HD3 PRO A 5 23.456 1.518 2.017 1.00 0.00 H new ATOM 101 N TRP A 6 25.293 6.303 2.958 1.00 0.00 N ATOM 102 CA TRP A 6 26.211 7.384 2.638 1.00 0.00 C ATOM 103 C TRP A 6 27.624 6.965 3.017 1.00 0.00 C ATOM 104 O TRP A 6 28.562 7.762 2.975 1.00 0.00 O ATOM 105 CB TRP A 6 25.821 8.679 3.364 1.00 0.00 C ATOM 106 CG TRP A 6 25.321 8.472 4.764 1.00 0.00 C ATOM 107 CD1 TRP A 6 24.322 7.631 5.164 1.00 0.00 C ATOM 108 CD2 TRP A 6 25.791 9.127 5.947 1.00 0.00 C ATOM 109 NE1 TRP A 6 24.148 7.718 6.524 1.00 0.00 N ATOM 110 CE2 TRP A 6 25.037 8.631 7.027 1.00 0.00 C ATOM 111 CE3 TRP A 6 26.781 10.084 6.199 1.00 0.00 C ATOM 112 CZ2 TRP A 6 25.240 9.060 8.336 1.00 0.00 C ATOM 113 CZ3 TRP A 6 26.981 10.508 7.498 1.00 0.00 C ATOM 114 CH2 TRP A 6 26.214 9.997 8.554 1.00 0.00 C ATOM 0 H TRP A 6 25.296 6.029 3.940 1.00 0.00 H new ATOM 0 HA TRP A 6 26.162 7.583 1.567 1.00 0.00 H new ATOM 0 HB2 TRP A 6 26.687 9.341 3.393 1.00 0.00 H new ATOM 0 HB3 TRP A 6 25.050 9.188 2.786 1.00 0.00 H new ATOM 0 HD1 TRP A 6 23.752 6.991 4.507 1.00 0.00 H new ATOM 0 HE1 TRP A 6 23.468 7.189 7.070 1.00 0.00 H new ATOM 0 HE3 TRP A 6 27.378 10.484 5.392 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 24.650 8.667 9.151 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 27.742 11.246 7.704 1.00 0.00 H new ATOM 0 HH2 TRP A 6 26.395 10.349 9.559 1.00 0.00 H new ATOM 125 N TRP A 7 27.755 5.694 3.390 1.00 0.00 N ATOM 126 CA TRP A 7 29.029 5.125 3.782 1.00 0.00 C ATOM 127 C TRP A 7 29.321 3.851 2.985 1.00 0.00 C ATOM 128 O TRP A 7 30.348 3.203 3.189 1.00 0.00 O ATOM 129 CB TRP A 7 29.014 4.825 5.281 1.00 0.00 C ATOM 130 CG TRP A 7 27.957 3.839 5.677 1.00 0.00 C ATOM 131 CD1 TRP A 7 26.656 4.115 5.983 1.00 0.00 C ATOM 132 CD2 TRP A 7 28.111 2.422 5.814 1.00 0.00 C ATOM 133 NE1 TRP A 7 25.990 2.956 6.299 1.00 0.00 N ATOM 134 CE2 TRP A 7 26.861 1.903 6.203 1.00 0.00 C ATOM 135 CE3 TRP A 7 29.182 1.541 5.644 1.00 0.00 C ATOM 136 CZ2 TRP A 7 26.655 0.545 6.425 1.00 0.00 C ATOM 137 CZ3 TRP A 7 28.976 0.192 5.865 1.00 0.00 C ATOM 138 CH2 TRP A 7 27.720 -0.295 6.251 1.00 0.00 C ATOM 0 H TRP A 7 26.977 5.035 3.427 1.00 0.00 H new ATOM 0 HA TRP A 7 29.819 5.845 3.568 1.00 0.00 H new ATOM 0 HB2 TRP A 7 29.990 4.440 5.577 1.00 0.00 H new ATOM 0 HB3 TRP A 7 28.858 5.754 5.829 1.00 0.00 H new ATOM 0 HD1 TRP A 7 26.215 5.101 5.978 1.00 0.00 H new ATOM 0 HE1 TRP A 7 25.007 2.890 6.562 1.00 0.00 H new ATOM 0 HE3 TRP A 7 30.153 1.907 5.345 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 25.688 0.168 6.724 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 29.797 -0.498 5.738 1.00 0.00 H new ATOM 0 HH2 TRP A 7 27.591 -1.355 6.414 1.00 0.00 H new ATOM 149 N TRP A 8 28.414 3.505 2.065 1.00 0.00 N ATOM 150 CA TRP A 8 28.569 2.332 1.229 1.00 0.00 C ATOM 151 C TRP A 8 29.691 2.504 0.199 1.00 0.00 C ATOM 152 O TRP A 8 30.321 1.526 -0.190 1.00 0.00 O ATOM 153 CB TRP A 8 27.249 2.044 0.514 1.00 0.00 C ATOM 154 CG TRP A 8 27.237 2.472 -0.917 1.00 0.00 C ATOM 155 CD1 TRP A 8 27.667 1.755 -1.981 1.00 0.00 C ATOM 156 CD2 TRP A 8 26.794 3.723 -1.427 1.00 0.00 C ATOM 157 NE1 TRP A 8 27.491 2.473 -3.141 1.00 0.00 N ATOM 158 CE2 TRP A 8 26.956 3.693 -2.822 1.00 0.00 C ATOM 159 CE3 TRP A 8 26.268 4.860 -0.831 1.00 0.00 C ATOM 160 CZ2 TRP A 8 26.605 4.768 -3.634 1.00 0.00 C ATOM 161 CZ3 TRP A 8 25.920 5.930 -1.631 1.00 0.00 C ATOM 162 CH2 TRP A 8 26.087 5.878 -3.022 1.00 0.00 C ATOM 0 H TRP A 8 27.560 4.033 1.887 1.00 0.00 H new ATOM 0 HA TRP A 8 28.841 1.495 1.871 1.00 0.00 H new ATOM 0 HB2 TRP A 8 27.043 0.975 0.566 1.00 0.00 H new ATOM 0 HB3 TRP A 8 26.441 2.550 1.043 1.00 0.00 H new ATOM 0 HD1 TRP A 8 28.088 0.762 -1.927 1.00 0.00 H new ATOM 0 HE1 TRP A 8 27.720 2.151 -4.081 1.00 0.00 H new ATOM 0 HE3 TRP A 8 26.133 4.907 0.240 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 26.736 4.728 -4.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 25.512 6.822 -1.178 1.00 0.00 H new ATOM 0 HH2 TRP A 8 25.802 6.729 -3.622 1.00 0.00 H new ATOM 173 N PRO A 9 29.938 3.737 -0.299 1.00 0.00 N ATOM 174 CA PRO A 9 30.950 4.002 -1.304 1.00 0.00 C ATOM 175 C PRO A 9 32.193 3.118 -1.180 1.00 0.00 C ATOM 176 O PRO A 9 32.831 2.791 -2.182 1.00 0.00 O ATOM 177 CB PRO A 9 31.318 5.479 -1.065 1.00 0.00 C ATOM 178 CG PRO A 9 30.372 5.969 -0.011 1.00 0.00 C ATOM 179 CD PRO A 9 29.247 4.981 0.016 1.00 0.00 C ATOM 0 HA PRO A 9 30.570 3.789 -2.303 1.00 0.00 H new ATOM 0 HB2 PRO A 9 32.353 5.576 -0.737 1.00 0.00 H new ATOM 0 HB3 PRO A 9 31.218 6.060 -1.982 1.00 0.00 H new ATOM 0 HG2 PRO A 9 30.864 6.028 0.960 1.00 0.00 H new ATOM 0 HG3 PRO A 9 30.009 6.970 -0.246 1.00 0.00 H new ATOM 0 HD2 PRO A 9 28.759 4.943 0.990 1.00 0.00 H new ATOM 0 HD3 PRO A 9 28.476 5.218 -0.717 1.00 0.00 H new ATOM 187 N PHE A 10 32.544 2.745 0.049 1.00 0.00 N ATOM 188 CA PHE A 10 33.725 1.914 0.283 1.00 0.00 C ATOM 189 C PHE A 10 33.378 0.634 1.045 1.00 0.00 C ATOM 190 O PHE A 10 34.240 0.041 1.694 1.00 0.00 O ATOM 191 CB PHE A 10 34.783 2.703 1.058 1.00 0.00 C ATOM 192 CG PHE A 10 34.773 4.179 0.770 1.00 0.00 C ATOM 193 CD1 PHE A 10 33.952 5.032 1.489 1.00 0.00 C ATOM 194 CD2 PHE A 10 35.585 4.710 -0.218 1.00 0.00 C ATOM 195 CE1 PHE A 10 33.941 6.389 1.226 1.00 0.00 C ATOM 196 CE2 PHE A 10 35.578 6.066 -0.486 1.00 0.00 C ATOM 197 CZ PHE A 10 34.755 6.906 0.237 1.00 0.00 C ATOM 0 H PHE A 10 32.032 3.002 0.893 1.00 0.00 H new ATOM 0 HA PHE A 10 34.121 1.629 -0.692 1.00 0.00 H new ATOM 0 HB2 PHE A 10 34.627 2.550 2.126 1.00 0.00 H new ATOM 0 HB3 PHE A 10 35.768 2.303 0.819 1.00 0.00 H new ATOM 0 HD1 PHE A 10 33.314 4.633 2.263 1.00 0.00 H new ATOM 0 HD2 PHE A 10 36.231 4.057 -0.786 1.00 0.00 H new ATOM 0 HE1 PHE A 10 33.297 7.044 1.793 1.00 0.00 H new ATOM 0 HE2 PHE A 10 36.215 6.468 -1.260 1.00 0.00 H new ATOM 0 HZ PHE A 10 34.748 7.966 0.030 1.00 0.00 H new ATOM 207 N LEU A 11 32.121 0.209 0.967 1.00 0.00 N ATOM 208 CA LEU A 11 31.685 -1.004 1.655 1.00 0.00 C ATOM 209 C LEU A 11 31.736 -2.225 0.730 1.00 0.00 C ATOM 210 O LEU A 11 31.557 -3.357 1.178 1.00 0.00 O ATOM 211 CB LEU A 11 30.272 -0.812 2.228 1.00 0.00 C ATOM 212 CG LEU A 11 29.115 -1.385 1.396 1.00 0.00 C ATOM 213 CD1 LEU A 11 27.779 -1.024 2.028 1.00 0.00 C ATOM 214 CD2 LEU A 11 29.174 -0.882 -0.039 1.00 0.00 C ATOM 0 H LEU A 11 31.389 0.683 0.438 1.00 0.00 H new ATOM 0 HA LEU A 11 32.375 -1.190 2.478 1.00 0.00 H new ATOM 0 HB2 LEU A 11 30.240 -1.268 3.218 1.00 0.00 H new ATOM 0 HB3 LEU A 11 30.100 0.256 2.363 1.00 0.00 H new ATOM 0 HG LEU A 11 29.214 -2.470 1.380 1.00 0.00 H new ATOM 0 HD11 LEU A 11 26.969 -1.437 1.427 1.00 0.00 H new ATOM 0 HD12 LEU A 11 27.730 -1.436 3.036 1.00 0.00 H new ATOM 0 HD13 LEU A 11 27.680 0.060 2.075 1.00 0.00 H new ATOM 0 HD21 LEU A 11 28.344 -1.303 -0.606 1.00 0.00 H new ATOM 0 HD22 LEU A 11 29.104 0.206 -0.046 1.00 0.00 H new ATOM 0 HD23 LEU A 11 30.116 -1.188 -0.493 1.00 0.00 H new ATOM 226 N ARG A 12 31.979 -1.988 -0.557 1.00 0.00 N ATOM 227 CA ARG A 12 32.048 -3.070 -1.533 1.00 0.00 C ATOM 228 C ARG A 12 33.449 -3.189 -2.127 1.00 0.00 C ATOM 229 O ARG A 12 33.859 -4.265 -2.563 1.00 0.00 O ATOM 230 CB ARG A 12 31.028 -2.840 -2.650 1.00 0.00 C ATOM 231 CG ARG A 12 29.647 -3.396 -2.338 1.00 0.00 C ATOM 232 CD ARG A 12 29.288 -4.553 -3.256 1.00 0.00 C ATOM 233 NE ARG A 12 29.271 -4.152 -4.662 1.00 0.00 N ATOM 234 CZ ARG A 12 28.665 -4.845 -5.623 1.00 0.00 C ATOM 235 NH1 ARG A 12 28.027 -5.974 -5.337 1.00 0.00 N ATOM 236 NH2 ARG A 12 28.698 -4.410 -6.875 1.00 0.00 N ATOM 0 H ARG A 12 32.131 -1.058 -0.947 1.00 0.00 H new ATOM 0 HA ARG A 12 31.815 -4.002 -1.018 1.00 0.00 H new ATOM 0 HB2 ARG A 12 30.945 -1.770 -2.840 1.00 0.00 H new ATOM 0 HB3 ARG A 12 31.397 -3.299 -3.567 1.00 0.00 H new ATOM 0 HG2 ARG A 12 29.615 -3.730 -1.301 1.00 0.00 H new ATOM 0 HG3 ARG A 12 28.904 -2.605 -2.441 1.00 0.00 H new ATOM 0 HD2 ARG A 12 30.006 -5.361 -3.118 1.00 0.00 H new ATOM 0 HD3 ARG A 12 28.309 -4.945 -2.979 1.00 0.00 H new ATOM 0 HE ARG A 12 29.752 -3.291 -4.921 1.00 0.00 H new ATOM 0 HH11 ARG A 12 27.999 -6.315 -4.376 1.00 0.00 H new ATOM 0 HH12 ARG A 12 27.565 -6.500 -6.078 1.00 0.00 H new ATOM 0 HH21 ARG A 12 29.188 -3.544 -7.101 1.00 0.00 H new ATOM 0 HH22 ARG A 12 28.234 -4.941 -7.612 1.00 0.00 H new ATOM 250 N ARG A 13 34.180 -2.078 -2.143 1.00 0.00 N ATOM 251 CA ARG A 13 35.532 -2.062 -2.683 1.00 0.00 C ATOM 252 C ARG A 13 36.286 -0.817 -2.226 1.00 0.00 C ATOM 253 O ARG A 13 37.221 -0.959 -1.410 1.00 0.00 O ATOM 254 CB ARG A 13 35.495 -2.124 -4.212 1.00 0.00 C ATOM 255 CG ARG A 13 36.258 -3.305 -4.793 1.00 0.00 C ATOM 256 CD ARG A 13 35.330 -4.289 -5.488 1.00 0.00 C ATOM 257 NE ARG A 13 35.857 -4.719 -6.780 1.00 0.00 N ATOM 258 CZ ARG A 13 35.970 -3.919 -7.838 1.00 0.00 C ATOM 259 NH1 ARG A 13 35.596 -2.648 -7.762 1.00 0.00 N ATOM 260 NH2 ARG A 13 36.462 -4.392 -8.976 1.00 0.00 N ATOM 261 OXT ARG A 13 35.935 0.289 -2.688 1.00 0.00 O ATOM 0 H ARG A 13 33.857 -1.178 -1.788 1.00 0.00 H new ATOM 0 HA ARG A 13 36.058 -2.939 -2.306 1.00 0.00 H new ATOM 0 HB2 ARG A 13 34.457 -2.176 -4.540 1.00 0.00 H new ATOM 0 HB3 ARG A 13 35.910 -1.200 -4.615 1.00 0.00 H new ATOM 0 HG2 ARG A 13 37.002 -2.944 -5.503 1.00 0.00 H new ATOM 0 HG3 ARG A 13 36.799 -3.816 -3.996 1.00 0.00 H new ATOM 0 HD2 ARG A 13 35.181 -5.160 -4.849 1.00 0.00 H new ATOM 0 HD3 ARG A 13 34.353 -3.827 -5.631 1.00 0.00 H new ATOM 0 HE ARG A 13 36.156 -5.689 -6.878 1.00 0.00 H new ATOM 0 HH11 ARG A 13 35.219 -2.279 -6.889 1.00 0.00 H new ATOM 0 HH12 ARG A 13 35.685 -2.041 -8.576 1.00 0.00 H new ATOM 0 HH21 ARG A 13 36.753 -5.368 -9.039 1.00 0.00 H new ATOM 0 HH22 ARG A 13 36.549 -3.780 -9.787 1.00 0.00 H new TER 275 ARG A 13