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+ 175:sc= -0.532 (180deg=-0.563) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -10.926 1.986 5.210 1.00 0.00 N ATOM 2 CA VAL A 1 -11.394 1.856 3.807 1.00 0.00 C ATOM 3 C VAL A 1 -10.478 0.930 3.004 1.00 0.00 C ATOM 4 O VAL A 1 -9.969 -0.058 3.533 1.00 0.00 O ATOM 5 CB VAL A 1 -11.470 3.236 3.122 1.00 0.00 C ATOM 6 CG1 VAL A 1 -12.530 4.102 3.785 1.00 0.00 C ATOM 7 CG2 VAL A 1 -10.114 3.927 3.157 1.00 0.00 C ATOM 0 H1 VAL A 1 -11.514 2.684 5.709 1.00 0.00 H new ATOM 0 H2 VAL A 1 -11.001 1.065 5.688 1.00 0.00 H new ATOM 0 H3 VAL A 1 -9.935 2.300 5.218 1.00 0.00 H new ATOM 0 HA VAL A 1 -12.393 1.420 3.835 1.00 0.00 H new ATOM 0 HB VAL A 1 -11.751 3.087 2.079 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -12.570 5.072 3.289 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -13.501 3.613 3.705 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -12.280 4.242 4.837 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -10.188 4.899 2.669 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -9.802 4.064 4.192 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -9.380 3.314 2.635 1.00 0.00 H new ATOM 19 N ARG A 2 -10.272 1.250 1.726 1.00 0.00 N ATOM 20 CA ARG A 2 -9.420 0.441 0.860 1.00 0.00 C ATOM 21 C ARG A 2 -9.180 1.149 -0.469 1.00 0.00 C ATOM 22 O ARG A 2 -10.101 1.728 -1.046 1.00 0.00 O ATOM 23 CB ARG A 2 -10.063 -0.927 0.613 1.00 0.00 C ATOM 24 CG ARG A 2 -9.179 -1.885 -0.170 1.00 0.00 C ATOM 25 CD ARG A 2 -9.882 -3.209 -0.425 1.00 0.00 C ATOM 26 NE ARG A 2 -11.055 -3.053 -1.282 1.00 0.00 N ATOM 27 CZ ARG A 2 -10.996 -2.666 -2.554 1.00 0.00 C ATOM 28 NH1 ARG A 2 -9.823 -2.421 -3.123 1.00 0.00 N ATOM 29 NH2 ARG A 2 -12.111 -2.532 -3.260 1.00 0.00 N ATOM 0 H ARG A 2 -10.684 2.064 1.270 1.00 0.00 H new ATOM 0 HA ARG A 2 -8.461 0.299 1.358 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -10.313 -1.380 1.572 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -10.999 -0.786 0.073 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -8.901 -1.430 -1.121 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -8.255 -2.062 0.381 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -9.184 -3.906 -0.890 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -10.184 -3.647 0.526 1.00 0.00 H new ATOM 0 HE ARG A 2 -11.972 -3.252 -0.882 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -8.963 -2.529 -2.585 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -9.781 -2.125 -4.098 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -13.015 -2.726 -2.828 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -12.065 -2.235 -4.235 1.00 0.00 H new ATOM 43 N ARG A 3 -7.939 1.099 -0.952 1.00 0.00 N ATOM 44 CA ARG A 3 -7.576 1.733 -2.209 1.00 0.00 C ATOM 45 C ARG A 3 -6.143 1.414 -2.511 1.00 0.00 C ATOM 46 O ARG A 3 -5.445 2.147 -3.211 1.00 0.00 O ATOM 47 CB ARG A 3 -7.784 3.242 -2.137 1.00 0.00 C ATOM 48 CG ARG A 3 -7.129 3.868 -0.924 1.00 0.00 C ATOM 49 CD ARG A 3 -7.337 5.370 -0.893 1.00 0.00 C ATOM 50 NE ARG A 3 -6.764 5.980 0.304 1.00 0.00 N ATOM 51 CZ ARG A 3 -6.831 7.281 0.573 1.00 0.00 C ATOM 52 NH1 ARG A 3 -7.441 8.106 -0.268 1.00 0.00 N ATOM 53 NH2 ARG A 3 -6.290 7.759 1.686 1.00 0.00 N ATOM 0 H ARG A 3 -7.168 0.622 -0.485 1.00 0.00 H new ATOM 0 HA ARG A 3 -8.215 1.351 -3.005 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -7.382 3.703 -3.039 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -8.853 3.456 -2.118 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -7.540 3.424 -0.017 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -6.062 3.648 -0.931 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -6.885 5.816 -1.779 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -8.404 5.589 -0.935 1.00 0.00 H new ATOM 0 HE ARG A 3 -6.286 5.374 0.971 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -7.861 7.743 -1.124 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -7.491 9.103 -0.059 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -5.822 7.129 2.337 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -6.342 8.757 1.891 1.00 0.00 H new ATOM 67 N PHE A 4 -5.723 0.294 -1.967 1.00 0.00 N ATOM 68 CA PHE A 4 -4.388 -0.180 -2.147 1.00 0.00 C ATOM 69 C PHE A 4 -4.254 -1.599 -1.642 1.00 0.00 C ATOM 70 O PHE A 4 -5.093 -2.096 -0.890 1.00 0.00 O ATOM 71 CB PHE A 4 -3.385 0.695 -1.410 1.00 0.00 C ATOM 72 CG PHE A 4 -3.562 0.733 0.081 1.00 0.00 C ATOM 73 CD1 PHE A 4 -4.586 1.466 0.655 1.00 0.00 C ATOM 74 CD2 PHE A 4 -2.691 0.036 0.911 1.00 0.00 C ATOM 75 CE1 PHE A 4 -4.746 1.503 2.027 1.00 0.00 C ATOM 76 CE2 PHE A 4 -2.847 0.071 2.284 1.00 0.00 C ATOM 77 CZ PHE A 4 -3.876 0.804 2.842 1.00 0.00 C ATOM 0 H PHE A 4 -6.307 -0.309 -1.387 1.00 0.00 H new ATOM 0 HA PHE A 4 -4.176 -0.144 -3.216 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -2.379 0.339 -1.634 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -3.457 1.712 -1.797 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -5.268 2.016 0.023 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -1.885 -0.538 0.479 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -5.550 2.078 2.462 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -2.165 -0.474 2.920 1.00 0.00 H new ATOM 0 HZ PHE A 4 -4.001 0.831 3.914 1.00 0.00 H new ATOM 87 N PRO A 5 -3.168 -2.247 -2.033 1.00 0.00 N ATOM 88 CA PRO A 5 -2.856 -3.610 -1.615 1.00 0.00 C ATOM 89 C PRO A 5 -2.692 -3.720 -0.097 1.00 0.00 C ATOM 90 O PRO A 5 -3.568 -4.237 0.597 1.00 0.00 O ATOM 91 CB PRO A 5 -1.512 -3.870 -2.303 1.00 0.00 C ATOM 92 CG PRO A 5 -1.425 -2.876 -3.398 1.00 0.00 C ATOM 93 CD PRO A 5 -2.124 -1.680 -2.892 1.00 0.00 C ATOM 0 HA PRO A 5 -3.643 -4.317 -1.877 1.00 0.00 H new ATOM 0 HB2 PRO A 5 -0.685 -3.755 -1.603 1.00 0.00 H new ATOM 0 HB3 PRO A 5 -1.461 -4.887 -2.692 1.00 0.00 H new ATOM 0 HG2 PRO A 5 -0.387 -2.651 -3.644 1.00 0.00 H new ATOM 0 HG3 PRO A 5 -1.894 -3.251 -4.308 1.00 0.00 H new ATOM 0 HD2 PRO A 5 -1.453 -1.026 -2.334 1.00 0.00 H new ATOM 0 HD3 PRO A 5 -2.547 -1.086 -3.703 1.00 0.00 H new ATOM 101 N TRP A 6 -1.555 -3.205 0.384 1.00 0.00 N ATOM 102 CA TRP A 6 -1.182 -3.188 1.807 1.00 0.00 C ATOM 103 C TRP A 6 0.335 -3.161 1.925 1.00 0.00 C ATOM 104 O TRP A 6 0.904 -2.515 2.806 1.00 0.00 O ATOM 105 CB TRP A 6 -1.733 -4.383 2.577 1.00 0.00 C ATOM 106 CG TRP A 6 -1.103 -5.670 2.193 1.00 0.00 C ATOM 107 CD1 TRP A 6 -1.624 -6.600 1.361 1.00 0.00 C ATOM 108 CD2 TRP A 6 0.160 -6.178 2.635 1.00 0.00 C ATOM 109 NE1 TRP A 6 -0.765 -7.650 1.239 1.00 0.00 N ATOM 110 CE2 TRP A 6 0.339 -7.423 2.018 1.00 0.00 C ATOM 111 CE3 TRP A 6 1.155 -5.695 3.489 1.00 0.00 C ATOM 112 CZ2 TRP A 6 1.475 -8.202 2.226 1.00 0.00 C ATOM 113 CZ3 TRP A 6 2.284 -6.465 3.697 1.00 0.00 C ATOM 114 CH2 TRP A 6 2.435 -7.709 3.069 1.00 0.00 C ATOM 0 H TRP A 6 -0.851 -2.778 -0.218 1.00 0.00 H new ATOM 0 HA TRP A 6 -1.621 -2.294 2.249 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -1.585 -4.218 3.644 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -2.808 -4.449 2.411 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -2.581 -6.522 0.866 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -0.919 -8.475 0.659 1.00 0.00 H new ATOM 0 HE3 TRP A 6 1.044 -4.738 3.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 1.594 -9.159 1.740 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 3.061 -6.103 4.353 1.00 0.00 H new ATOM 0 HH2 TRP A 6 3.326 -8.290 3.254 1.00 0.00 H new ATOM 125 N TRP A 7 0.968 -3.879 1.008 1.00 0.00 N ATOM 126 CA TRP A 7 2.421 -3.983 0.923 1.00 0.00 C ATOM 127 C TRP A 7 2.958 -2.839 0.116 1.00 0.00 C ATOM 128 O TRP A 7 4.166 -2.622 0.027 1.00 0.00 O ATOM 129 CB TRP A 7 2.793 -5.250 0.173 1.00 0.00 C ATOM 130 CG TRP A 7 2.011 -5.346 -1.095 1.00 0.00 C ATOM 131 CD1 TRP A 7 0.896 -6.070 -1.261 1.00 0.00 C ATOM 132 CD2 TRP A 7 2.220 -4.650 -2.338 1.00 0.00 C ATOM 133 NE1 TRP A 7 0.403 -5.908 -2.517 1.00 0.00 N ATOM 134 CE2 TRP A 7 1.194 -5.047 -3.204 1.00 0.00 C ATOM 135 CE3 TRP A 7 3.163 -3.746 -2.810 1.00 0.00 C ATOM 136 CZ2 TRP A 7 1.075 -4.574 -4.506 1.00 0.00 C ATOM 137 CZ3 TRP A 7 3.031 -3.266 -4.097 1.00 0.00 C ATOM 138 CH2 TRP A 7 2.002 -3.675 -4.928 1.00 0.00 C ATOM 0 H TRP A 7 0.480 -4.415 0.290 1.00 0.00 H new ATOM 0 HA TRP A 7 2.829 -3.983 1.934 1.00 0.00 H new ATOM 0 HB2 TRP A 7 3.860 -5.250 -0.048 1.00 0.00 H new ATOM 0 HB3 TRP A 7 2.597 -6.122 0.797 1.00 0.00 H new ATOM 0 HD1 TRP A 7 0.451 -6.696 -0.502 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -0.432 -6.363 -2.886 1.00 0.00 H new ATOM 0 HE3 TRP A 7 3.982 -3.426 -2.183 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 0.279 -4.907 -5.155 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 3.751 -2.551 -4.467 1.00 0.00 H new ATOM 0 HH2 TRP A 7 1.935 -3.273 -5.928 1.00 0.00 H new ATOM 149 N TRP A 8 2.045 -2.184 -0.567 1.00 0.00 N ATOM 150 CA TRP A 8 2.404 -1.140 -1.472 1.00 0.00 C ATOM 151 C TRP A 8 2.755 0.206 -0.799 1.00 0.00 C ATOM 152 O TRP A 8 3.590 0.945 -1.311 1.00 0.00 O ATOM 153 CB TRP A 8 1.303 -0.990 -2.474 1.00 0.00 C ATOM 154 CG TRP A 8 0.546 0.183 -2.158 1.00 0.00 C ATOM 155 CD1 TRP A 8 -0.369 0.292 -1.220 1.00 0.00 C ATOM 156 CD2 TRP A 8 0.736 1.429 -2.723 1.00 0.00 C ATOM 157 NE1 TRP A 8 -0.822 1.577 -1.176 1.00 0.00 N ATOM 158 CE2 TRP A 8 -0.141 2.308 -2.119 1.00 0.00 C ATOM 159 CE3 TRP A 8 1.571 1.843 -3.702 1.00 0.00 C ATOM 160 CZ2 TRP A 8 -0.196 3.643 -2.484 1.00 0.00 C ATOM 161 CZ3 TRP A 8 1.544 3.162 -4.090 1.00 0.00 C ATOM 162 CH2 TRP A 8 0.657 4.057 -3.477 1.00 0.00 C ATOM 0 H TRP A 8 1.043 -2.366 -0.504 1.00 0.00 H new ATOM 0 HA TRP A 8 3.333 -1.433 -1.961 1.00 0.00 H new ATOM 0 HB2 TRP A 8 1.716 -0.912 -3.480 1.00 0.00 H new ATOM 0 HB3 TRP A 8 0.659 -1.869 -2.461 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.709 -0.512 -0.583 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -1.543 1.935 -0.550 1.00 0.00 H new ATOM 0 HE3 TRP A 8 2.250 1.148 -4.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 -0.881 4.329 -2.008 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 2.208 3.509 -4.868 1.00 0.00 H new ATOM 0 HH2 TRP A 8 0.644 5.090 -3.791 1.00 0.00 H new ATOM 173 N PRO A 9 2.173 0.535 0.370 1.00 0.00 N ATOM 174 CA PRO A 9 2.492 1.753 1.090 1.00 0.00 C ATOM 175 C PRO A 9 3.638 1.405 1.985 1.00 0.00 C ATOM 176 O PRO A 9 3.716 1.785 3.154 1.00 0.00 O ATOM 177 CB PRO A 9 1.223 2.025 1.893 1.00 0.00 C ATOM 178 CG PRO A 9 0.598 0.679 2.109 1.00 0.00 C ATOM 179 CD PRO A 9 1.238 -0.285 1.132 1.00 0.00 C ATOM 0 HA PRO A 9 2.767 2.616 0.484 1.00 0.00 H new ATOM 0 HB2 PRO A 9 1.454 2.509 2.842 1.00 0.00 H new ATOM 0 HB3 PRO A 9 0.550 2.690 1.352 1.00 0.00 H new ATOM 0 HG2 PRO A 9 0.754 0.345 3.135 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -0.479 0.727 1.950 1.00 0.00 H new ATOM 0 HD2 PRO A 9 1.752 -1.094 1.651 1.00 0.00 H new ATOM 0 HD3 PRO A 9 0.493 -0.745 0.483 1.00 0.00 H new ATOM 187 N PHE A 10 4.460 0.561 1.407 1.00 0.00 N ATOM 188 CA PHE A 10 5.571 -0.030 2.071 1.00 0.00 C ATOM 189 C PHE A 10 6.763 -0.142 1.121 1.00 0.00 C ATOM 190 O PHE A 10 7.887 0.208 1.481 1.00 0.00 O ATOM 191 CB PHE A 10 5.065 -1.396 2.506 1.00 0.00 C ATOM 192 CG PHE A 10 6.059 -2.243 3.228 1.00 0.00 C ATOM 193 CD1 PHE A 10 6.788 -1.746 4.292 1.00 0.00 C ATOM 194 CD2 PHE A 10 6.257 -3.549 2.830 1.00 0.00 C ATOM 195 CE1 PHE A 10 7.702 -2.546 4.949 1.00 0.00 C ATOM 196 CE2 PHE A 10 7.163 -4.353 3.476 1.00 0.00 C ATOM 197 CZ PHE A 10 7.891 -3.854 4.541 1.00 0.00 C ATOM 0 H PHE A 10 4.362 0.266 0.436 1.00 0.00 H new ATOM 0 HA PHE A 10 5.924 0.558 2.918 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.196 -1.256 3.149 1.00 0.00 H new ATOM 0 HB3 PHE A 10 4.724 -1.937 1.623 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.642 -0.725 4.612 1.00 0.00 H new ATOM 0 HD2 PHE A 10 5.692 -3.944 1.999 1.00 0.00 H new ATOM 0 HE1 PHE A 10 8.268 -2.151 5.780 1.00 0.00 H new ATOM 0 HE2 PHE A 10 7.307 -5.374 3.153 1.00 0.00 H new ATOM 0 HZ PHE A 10 8.604 -4.483 5.052 1.00 0.00 H new ATOM 207 N LEU A 11 6.508 -0.615 -0.105 1.00 0.00 N ATOM 208 CA LEU A 11 7.572 -0.743 -1.101 1.00 0.00 C ATOM 209 C LEU A 11 7.901 0.624 -1.692 1.00 0.00 C ATOM 210 O LEU A 11 9.058 0.920 -1.992 1.00 0.00 O ATOM 211 CB LEU A 11 7.194 -1.732 -2.220 1.00 0.00 C ATOM 212 CG LEU A 11 6.391 -1.162 -3.390 1.00 0.00 C ATOM 213 CD1 LEU A 11 6.322 -2.168 -4.528 1.00 0.00 C ATOM 214 CD2 LEU A 11 5.005 -0.804 -2.923 1.00 0.00 C ATOM 0 H LEU A 11 5.586 -0.911 -0.426 1.00 0.00 H new ATOM 0 HA LEU A 11 8.453 -1.141 -0.597 1.00 0.00 H new ATOM 0 HB2 LEU A 11 8.112 -2.167 -2.616 1.00 0.00 H new ATOM 0 HB3 LEU A 11 6.621 -2.546 -1.777 1.00 0.00 H new ATOM 0 HG LEU A 11 6.888 -0.264 -3.758 1.00 0.00 H new ATOM 0 HD11 LEU A 11 5.747 -1.746 -5.352 1.00 0.00 H new ATOM 0 HD12 LEU A 11 7.331 -2.400 -4.870 1.00 0.00 H new ATOM 0 HD13 LEU A 11 5.839 -3.080 -4.178 1.00 0.00 H new ATOM 0 HD21 LEU A 11 4.433 -0.398 -3.758 1.00 0.00 H new ATOM 0 HD22 LEU A 11 4.508 -1.696 -2.543 1.00 0.00 H new ATOM 0 HD23 LEU A 11 5.069 -0.059 -2.130 1.00 0.00 H new ATOM 226 N ARG A 12 6.872 1.458 -1.852 1.00 0.00 N ATOM 227 CA ARG A 12 7.053 2.797 -2.400 1.00 0.00 C ATOM 228 C ARG A 12 7.967 3.624 -1.501 1.00 0.00 C ATOM 229 O ARG A 12 8.889 4.287 -1.977 1.00 0.00 O ATOM 230 CB ARG A 12 5.703 3.503 -2.579 1.00 0.00 C ATOM 231 CG ARG A 12 4.864 3.578 -1.311 1.00 0.00 C ATOM 232 CD ARG A 12 3.681 4.516 -1.484 1.00 0.00 C ATOM 233 NE ARG A 12 2.882 4.615 -0.267 1.00 0.00 N ATOM 234 CZ ARG A 12 1.822 5.407 -0.141 1.00 0.00 C ATOM 235 NH1 ARG A 12 1.438 6.174 -1.154 1.00 0.00 N ATOM 236 NH2 ARG A 12 1.145 5.433 0.999 1.00 0.00 N ATOM 0 H ARG A 12 5.908 1.228 -1.610 1.00 0.00 H new ATOM 0 HA ARG A 12 7.521 2.700 -3.380 1.00 0.00 H new ATOM 0 HB2 ARG A 12 5.881 4.515 -2.944 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.133 2.982 -3.348 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.506 2.582 -1.051 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.484 3.921 -0.482 1.00 0.00 H new ATOM 0 HD2 ARG A 12 4.041 5.506 -1.763 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.054 4.162 -2.302 1.00 0.00 H new ATOM 0 HE ARG A 12 3.153 4.043 0.533 1.00 0.00 H new ATOM 0 HH11 ARG A 12 1.957 6.157 -2.032 1.00 0.00 H new ATOM 0 HH12 ARG A 12 0.624 6.781 -1.054 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.438 4.845 1.779 1.00 0.00 H new ATOM 0 HH22 ARG A 12 0.332 6.041 1.095 1.00 0.00 H new ATOM 250 N ARG A 13 7.711 3.569 -0.197 1.00 0.00 N ATOM 251 CA ARG A 13 8.516 4.300 0.774 1.00 0.00 C ATOM 252 C ARG A 13 9.935 3.745 0.825 1.00 0.00 C ATOM 253 O ARG A 13 10.847 4.496 1.229 1.00 0.00 O ATOM 254 CB ARG A 13 7.875 4.221 2.160 1.00 0.00 C ATOM 255 CG ARG A 13 6.591 5.025 2.288 1.00 0.00 C ATOM 256 CD ARG A 13 6.866 6.522 2.260 1.00 0.00 C ATOM 257 NE ARG A 13 5.645 7.309 2.416 1.00 0.00 N ATOM 258 CZ ARG A 13 4.661 7.336 1.522 1.00 0.00 C ATOM 259 NH1 ARG A 13 4.768 6.648 0.394 1.00 0.00 N ATOM 260 NH2 ARG A 13 3.573 8.058 1.752 1.00 0.00 N ATOM 0 H ARG A 13 6.951 3.025 0.211 1.00 0.00 H new ATOM 0 HA ARG A 13 8.562 5.344 0.462 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.664 3.177 2.394 1.00 0.00 H new ATOM 0 HB3 ARG A 13 8.590 4.576 2.902 1.00 0.00 H new ATOM 0 HG2 ARG A 13 5.914 4.763 1.475 1.00 0.00 H new ATOM 0 HG3 ARG A 13 6.088 4.764 3.219 1.00 0.00 H new ATOM 0 HD2 ARG A 13 7.565 6.777 3.057 1.00 0.00 H new ATOM 0 HD3 ARG A 13 7.348 6.784 1.318 1.00 0.00 H new ATOM 0 HE ARG A 13 5.541 7.871 3.261 1.00 0.00 H new ATOM 0 HH11 ARG A 13 5.606 6.097 0.211 1.00 0.00 H new ATOM 0 HH12 ARG A 13 4.012 6.670 -0.290 1.00 0.00 H new ATOM 0 HH21 ARG A 13 3.490 8.594 2.616 1.00 0.00 H new ATOM 0 HH22 ARG A 13 2.819 8.078 1.065 1.00 0.00 H new HETATM 274 N NH2 A 14 10.146 2.482 0.471 1.00 0.00 N TER 277 NH2 A 14