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+ -122:sc= -0.422 (180deg=-0.48) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 -5.218 -5.078 -3.319 1.00 0.00 N ATOM 2 CA VAL A 1 -5.741 -4.363 -2.128 1.00 0.00 C ATOM 3 C VAL A 1 -6.297 -2.996 -2.507 1.00 0.00 C ATOM 4 O VAL A 1 -5.838 -2.374 -3.465 1.00 0.00 O ATOM 5 CB VAL A 1 -4.653 -4.185 -1.051 1.00 0.00 C ATOM 6 CG1 VAL A 1 -4.146 -5.537 -0.576 1.00 0.00 C ATOM 7 CG2 VAL A 1 -3.506 -3.333 -1.573 1.00 0.00 C ATOM 0 H1 VAL A 1 -5.712 -5.987 -3.423 1.00 0.00 H new ATOM 0 H2 VAL A 1 -5.376 -4.499 -4.169 1.00 0.00 H new ATOM 0 H3 VAL A 1 -4.199 -5.249 -3.201 1.00 0.00 H new ATOM 0 HA VAL A 1 -6.544 -4.978 -1.720 1.00 0.00 H new ATOM 0 HB VAL A 1 -5.098 -3.667 -0.201 1.00 0.00 H new ATOM 0 HG11 VAL A 1 -3.378 -5.391 0.184 1.00 0.00 H new ATOM 0 HG12 VAL A 1 -4.973 -6.107 -0.152 1.00 0.00 H new ATOM 0 HG13 VAL A 1 -3.723 -6.083 -1.419 1.00 0.00 H new ATOM 0 HG21 VAL A 1 -2.751 -3.222 -0.794 1.00 0.00 H new ATOM 0 HG22 VAL A 1 -3.061 -3.815 -2.443 1.00 0.00 H new ATOM 0 HG23 VAL A 1 -3.882 -2.350 -1.856 1.00 0.00 H new ATOM 19 N ARG A 2 -7.295 -2.542 -1.754 1.00 0.00 N ATOM 20 CA ARG A 2 -7.928 -1.252 -2.006 1.00 0.00 C ATOM 21 C ARG A 2 -6.927 -0.103 -1.860 1.00 0.00 C ATOM 22 O ARG A 2 -6.000 0.023 -2.659 1.00 0.00 O ATOM 23 CB ARG A 2 -9.118 -1.056 -1.066 1.00 0.00 C ATOM 24 CG ARG A 2 -10.178 -2.138 -1.198 1.00 0.00 C ATOM 25 CD ARG A 2 -11.390 -1.840 -0.331 1.00 0.00 C ATOM 26 NE ARG A 2 -12.055 -0.602 -0.729 1.00 0.00 N ATOM 27 CZ ARG A 2 -12.623 -0.418 -1.919 1.00 0.00 C ATOM 28 NH1 ARG A 2 -12.623 -1.394 -2.818 1.00 0.00 N ATOM 29 NH2 ARG A 2 -13.196 0.742 -2.208 1.00 0.00 N ATOM 0 H ARG A 2 -7.684 -3.052 -0.961 1.00 0.00 H new ATOM 0 HA ARG A 2 -8.289 -1.246 -3.035 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -8.759 -1.034 -0.037 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -9.573 -0.086 -1.266 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -10.487 -2.221 -2.240 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -9.754 -3.101 -0.913 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -12.096 -2.668 -0.397 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -11.081 -1.767 0.712 1.00 0.00 H new ATOM 0 HE ARG A 2 -12.086 0.165 -0.057 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -12.187 -2.289 -2.599 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -13.059 -1.249 -3.728 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -13.202 1.494 -1.519 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -13.631 0.883 -3.120 1.00 0.00 H new ATOM 43 N ARG A 3 -7.123 0.746 -0.850 1.00 0.00 N ATOM 44 CA ARG A 3 -6.236 1.885 -0.629 1.00 0.00 C ATOM 45 C ARG A 3 -4.780 1.442 -0.487 1.00 0.00 C ATOM 46 O ARG A 3 -3.873 2.104 -0.981 1.00 0.00 O ATOM 47 CB ARG A 3 -6.663 2.686 0.608 1.00 0.00 C ATOM 48 CG ARG A 3 -6.539 1.932 1.926 1.00 0.00 C ATOM 49 CD ARG A 3 -7.620 0.874 2.081 1.00 0.00 C ATOM 50 NE ARG A 3 -7.548 0.206 3.378 1.00 0.00 N ATOM 51 CZ ARG A 3 -8.411 -0.723 3.778 1.00 0.00 C ATOM 52 NH1 ARG A 3 -9.415 -1.083 2.990 1.00 0.00 N ATOM 53 NH2 ARG A 3 -8.273 -1.291 4.968 1.00 0.00 N ATOM 0 H ARG A 3 -7.885 0.666 -0.176 1.00 0.00 H new ATOM 0 HA ARG A 3 -6.314 2.527 -1.506 1.00 0.00 H new ATOM 0 HB2 ARG A 3 -6.059 3.592 0.664 1.00 0.00 H new ATOM 0 HB3 ARG A 3 -7.699 3.001 0.481 1.00 0.00 H new ATOM 0 HG2 ARG A 3 -5.558 1.459 1.982 1.00 0.00 H new ATOM 0 HG3 ARG A 3 -6.601 2.638 2.755 1.00 0.00 H new ATOM 0 HD2 ARG A 3 -8.600 1.337 1.965 1.00 0.00 H new ATOM 0 HD3 ARG A 3 -7.521 0.135 1.286 1.00 0.00 H new ATOM 0 HE ARG A 3 -6.793 0.467 4.013 1.00 0.00 H new ATOM 0 HH11 ARG A 3 -9.527 -0.647 2.075 1.00 0.00 H new ATOM 0 HH12 ARG A 3 -10.076 -1.796 3.299 1.00 0.00 H new ATOM 0 HH21 ARG A 3 -7.504 -1.015 5.578 1.00 0.00 H new ATOM 0 HH22 ARG A 3 -8.936 -2.003 5.273 1.00 0.00 H new ATOM 67 N PHE A 4 -4.560 0.324 0.188 1.00 0.00 N ATOM 68 CA PHE A 4 -3.208 -0.195 0.392 1.00 0.00 C ATOM 69 C PHE A 4 -2.422 -0.245 -0.907 1.00 0.00 C ATOM 70 O PHE A 4 -1.197 -0.232 -0.908 1.00 0.00 O ATOM 71 CB PHE A 4 -3.268 -1.583 1.021 1.00 0.00 C ATOM 72 CG PHE A 4 -3.807 -1.577 2.419 1.00 0.00 C ATOM 73 CD1 PHE A 4 -4.048 -0.381 3.074 1.00 0.00 C ATOM 74 CD2 PHE A 4 -4.095 -2.762 3.070 1.00 0.00 C ATOM 75 CE1 PHE A 4 -4.563 -0.364 4.349 1.00 0.00 C ATOM 76 CE2 PHE A 4 -4.608 -2.755 4.351 1.00 0.00 C ATOM 77 CZ PHE A 4 -4.844 -1.553 4.993 1.00 0.00 C ATOM 0 H PHE A 4 -5.297 -0.244 0.605 1.00 0.00 H new ATOM 0 HA PHE A 4 -2.691 0.487 1.067 1.00 0.00 H new ATOM 0 HB2 PHE A 4 -3.891 -2.228 0.402 1.00 0.00 H new ATOM 0 HB3 PHE A 4 -2.267 -2.015 1.027 1.00 0.00 H new ATOM 0 HD1 PHE A 4 -3.828 0.552 2.576 1.00 0.00 H new ATOM 0 HD2 PHE A 4 -3.917 -3.703 2.571 1.00 0.00 H new ATOM 0 HE1 PHE A 4 -4.747 0.577 4.846 1.00 0.00 H new ATOM 0 HE2 PHE A 4 -4.825 -3.687 4.852 1.00 0.00 H new ATOM 0 HZ PHE A 4 -5.247 -1.544 5.995 1.00 0.00 H new ATOM 87 N ALA A 5 -3.129 -0.315 -2.010 1.00 0.00 N ATOM 88 CA ALA A 5 -2.489 -0.384 -3.305 1.00 0.00 C ATOM 89 C ALA A 5 -1.559 0.805 -3.560 1.00 0.00 C ATOM 90 O ALA A 5 -0.462 0.632 -4.092 1.00 0.00 O ATOM 91 CB ALA A 5 -3.547 -0.480 -4.383 1.00 0.00 C ATOM 0 H ALA A 5 -4.149 -0.326 -2.038 1.00 0.00 H new ATOM 0 HA ALA A 5 -1.863 -1.276 -3.325 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -3.067 -0.532 -5.360 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.147 -1.376 -4.225 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -4.190 0.399 -4.341 1.00 0.00 H new ATOM 97 N TRP A 6 -2.000 2.011 -3.203 1.00 0.00 N ATOM 98 CA TRP A 6 -1.189 3.208 -3.429 1.00 0.00 C ATOM 99 C TRP A 6 -0.166 3.464 -2.318 1.00 0.00 C ATOM 100 O TRP A 6 0.372 4.569 -2.234 1.00 0.00 O ATOM 101 CB TRP A 6 -2.080 4.447 -3.600 1.00 0.00 C ATOM 102 CG TRP A 6 -3.078 4.603 -2.505 1.00 0.00 C ATOM 103 CD1 TRP A 6 -4.404 4.335 -2.588 1.00 0.00 C ATOM 104 CD2 TRP A 6 -2.836 5.041 -1.161 1.00 0.00 C ATOM 105 NE1 TRP A 6 -5.004 4.567 -1.382 1.00 0.00 N ATOM 106 CE2 TRP A 6 -4.063 5.001 -0.483 1.00 0.00 C ATOM 107 CE3 TRP A 6 -1.703 5.454 -0.466 1.00 0.00 C ATOM 108 CZ2 TRP A 6 -4.183 5.355 0.865 1.00 0.00 C ATOM 109 CZ3 TRP A 6 -1.813 5.790 0.872 1.00 0.00 C ATOM 110 CH2 TRP A 6 -3.039 5.735 1.525 1.00 0.00 C ATOM 0 H TRP A 6 -2.903 2.185 -2.761 1.00 0.00 H new ATOM 0 HA TRP A 6 -0.632 3.022 -4.347 1.00 0.00 H new ATOM 0 HB2 TRP A 6 -1.452 5.337 -3.641 1.00 0.00 H new ATOM 0 HB3 TRP A 6 -2.603 4.382 -4.554 1.00 0.00 H new ATOM 0 HD1 TRP A 6 -4.912 3.989 -3.476 1.00 0.00 H new ATOM 0 HE1 TRP A 6 -5.996 4.438 -1.182 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -0.747 5.512 -0.966 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -5.138 5.331 1.368 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -0.933 6.100 1.417 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -3.094 5.996 2.572 1.00 0.00 H new ATOM 121 N TRP A 7 0.112 2.475 -1.458 1.00 0.00 N ATOM 122 CA TRP A 7 1.072 2.709 -0.373 1.00 0.00 C ATOM 123 C TRP A 7 1.515 1.463 0.365 1.00 0.00 C ATOM 124 O TRP A 7 2.681 1.341 0.719 1.00 0.00 O ATOM 125 CB TRP A 7 0.476 3.654 0.618 1.00 0.00 C ATOM 126 CG TRP A 7 -0.570 3.004 1.423 1.00 0.00 C ATOM 127 CD1 TRP A 7 -1.859 2.729 1.085 1.00 0.00 C ATOM 128 CD2 TRP A 7 -0.375 2.520 2.710 1.00 0.00 C ATOM 129 NE1 TRP A 7 -2.487 2.127 2.135 1.00 0.00 N ATOM 130 CE2 TRP A 7 -1.581 1.978 3.143 1.00 0.00 C ATOM 131 CE3 TRP A 7 0.721 2.507 3.539 1.00 0.00 C ATOM 132 CZ2 TRP A 7 -1.721 1.422 4.383 1.00 0.00 C ATOM 133 CZ3 TRP A 7 0.595 1.955 4.767 1.00 0.00 C ATOM 134 CH2 TRP A 7 -0.622 1.410 5.194 1.00 0.00 C ATOM 0 H TRP A 7 -0.296 1.541 -1.488 1.00 0.00 H new ATOM 0 HA TRP A 7 1.961 3.117 -0.854 1.00 0.00 H new ATOM 0 HB2 TRP A 7 1.258 4.035 1.275 1.00 0.00 H new ATOM 0 HB3 TRP A 7 0.053 4.512 0.095 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -2.315 2.953 0.132 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -3.465 1.838 2.162 1.00 0.00 H new ATOM 0 HE3 TRP A 7 1.662 2.928 3.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -2.664 1.008 4.709 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 1.448 1.934 5.430 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -0.693 0.974 6.179 1.00 0.00 H new ATOM 145 N TRP A 8 0.614 0.549 0.633 1.00 0.00 N ATOM 146 CA TRP A 8 1.013 -0.647 1.333 1.00 0.00 C ATOM 147 C TRP A 8 2.187 -1.223 0.576 1.00 0.00 C ATOM 148 O TRP A 8 3.083 -1.839 1.143 1.00 0.00 O ATOM 149 CB TRP A 8 -0.135 -1.629 1.405 1.00 0.00 C ATOM 150 CG TRP A 8 0.060 -2.830 0.553 1.00 0.00 C ATOM 151 CD1 TRP A 8 -0.372 -3.016 -0.722 1.00 0.00 C ATOM 152 CD2 TRP A 8 0.744 -4.011 0.930 1.00 0.00 C ATOM 153 NE1 TRP A 8 -0.017 -4.271 -1.157 1.00 0.00 N ATOM 154 CE2 TRP A 8 0.673 -4.902 -0.153 1.00 0.00 C ATOM 155 CE3 TRP A 8 1.404 -4.396 2.093 1.00 0.00 C ATOM 156 CZ2 TRP A 8 1.240 -6.168 -0.106 1.00 0.00 C ATOM 157 CZ3 TRP A 8 1.971 -5.655 2.142 1.00 0.00 C ATOM 158 CH2 TRP A 8 1.881 -6.529 1.047 1.00 0.00 C ATOM 0 H TRP A 8 -0.374 0.606 0.385 1.00 0.00 H new ATOM 0 HA TRP A 8 1.297 -0.427 2.362 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -0.269 -1.945 2.440 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -1.054 -1.125 1.104 1.00 0.00 H new ATOM 0 HD1 TRP A 8 -0.913 -2.287 -1.306 1.00 0.00 H new ATOM 0 HE1 TRP A 8 -0.231 -4.667 -2.073 1.00 0.00 H new ATOM 0 HE3 TRP A 8 1.471 -3.726 2.938 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 1.177 -6.842 -0.947 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 2.490 -5.971 3.035 1.00 0.00 H new ATOM 0 HH2 TRP A 8 2.328 -7.509 1.117 1.00 0.00 H new ATOM 169 N ALA A 9 2.178 -0.952 -0.723 1.00 0.00 N ATOM 170 CA ALA A 9 3.247 -1.364 -1.592 1.00 0.00 C ATOM 171 C ALA A 9 4.433 -0.424 -1.359 1.00 0.00 C ATOM 172 O ALA A 9 5.594 -0.832 -1.345 1.00 0.00 O ATOM 173 CB ALA A 9 2.791 -1.333 -3.040 1.00 0.00 C ATOM 0 H ALA A 9 1.429 -0.443 -1.192 1.00 0.00 H new ATOM 0 HA ALA A 9 3.547 -2.389 -1.373 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.611 -1.647 -3.686 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.946 -2.010 -3.170 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.488 -0.320 -3.305 1.00 0.00 H new ATOM 179 N PHE A 10 4.084 0.846 -1.140 1.00 0.00 N ATOM 180 CA PHE A 10 5.035 1.923 -0.852 1.00 0.00 C ATOM 181 C PHE A 10 5.941 1.550 0.330 1.00 0.00 C ATOM 182 O PHE A 10 7.140 1.832 0.312 1.00 0.00 O ATOM 183 CB PHE A 10 4.223 3.214 -0.552 1.00 0.00 C ATOM 184 CG PHE A 10 4.776 4.130 0.510 1.00 0.00 C ATOM 185 CD1 PHE A 10 6.096 4.555 0.484 1.00 0.00 C ATOM 186 CD2 PHE A 10 3.952 4.570 1.544 1.00 0.00 C ATOM 187 CE1 PHE A 10 6.587 5.395 1.465 1.00 0.00 C ATOM 188 CE2 PHE A 10 4.442 5.409 2.525 1.00 0.00 C ATOM 189 CZ PHE A 10 5.760 5.822 2.486 1.00 0.00 C ATOM 0 H PHE A 10 3.114 1.161 -1.158 1.00 0.00 H new ATOM 0 HA PHE A 10 5.686 2.088 -1.710 1.00 0.00 H new ATOM 0 HB2 PHE A 10 4.133 3.782 -1.478 1.00 0.00 H new ATOM 0 HB3 PHE A 10 3.215 2.921 -0.258 1.00 0.00 H new ATOM 0 HD1 PHE A 10 6.747 4.226 -0.312 1.00 0.00 H new ATOM 0 HD2 PHE A 10 2.921 4.252 1.578 1.00 0.00 H new ATOM 0 HE1 PHE A 10 7.617 5.718 1.434 1.00 0.00 H new ATOM 0 HE2 PHE A 10 3.795 5.742 3.323 1.00 0.00 H new ATOM 0 HZ PHE A 10 6.143 6.478 3.253 1.00 0.00 H new ATOM 199 N LEU A 11 5.363 0.929 1.360 1.00 0.00 N ATOM 200 CA LEU A 11 6.125 0.543 2.547 1.00 0.00 C ATOM 201 C LEU A 11 6.961 -0.713 2.311 1.00 0.00 C ATOM 202 O LEU A 11 8.133 -0.761 2.684 1.00 0.00 O ATOM 203 CB LEU A 11 5.191 0.360 3.755 1.00 0.00 C ATOM 204 CG LEU A 11 4.066 -0.664 3.590 1.00 0.00 C ATOM 205 CD1 LEU A 11 4.567 -2.079 3.841 1.00 0.00 C ATOM 206 CD2 LEU A 11 2.913 -0.340 4.525 1.00 0.00 C ATOM 0 H LEU A 11 4.374 0.684 1.396 1.00 0.00 H new ATOM 0 HA LEU A 11 6.820 1.354 2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 11 5.795 0.070 4.614 1.00 0.00 H new ATOM 0 HB3 LEU A 11 4.744 1.325 3.992 1.00 0.00 H new ATOM 0 HG LEU A 11 3.712 -0.609 2.561 1.00 0.00 H new ATOM 0 HD11 LEU A 11 3.745 -2.784 3.716 1.00 0.00 H new ATOM 0 HD12 LEU A 11 5.359 -2.316 3.130 1.00 0.00 H new ATOM 0 HD13 LEU A 11 4.957 -2.152 4.856 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.121 -1.078 4.395 1.00 0.00 H new ATOM 0 HD22 LEU A 11 3.264 -0.362 5.557 1.00 0.00 H new ATOM 0 HD23 LEU A 11 2.526 0.652 4.295 1.00 0.00 H new ATOM 218 N ARG A 12 6.362 -1.730 1.696 1.00 0.00 N ATOM 219 CA ARG A 12 7.062 -2.968 1.427 1.00 0.00 C ATOM 220 C ARG A 12 8.172 -2.756 0.404 1.00 0.00 C ATOM 221 O ARG A 12 9.006 -3.635 0.187 1.00 0.00 O ATOM 222 CB ARG A 12 6.082 -4.025 0.933 1.00 0.00 C ATOM 223 CG ARG A 12 5.149 -3.542 -0.152 1.00 0.00 C ATOM 224 CD ARG A 12 4.383 -4.693 -0.785 1.00 0.00 C ATOM 225 NE ARG A 12 5.278 -5.660 -1.414 1.00 0.00 N ATOM 226 CZ ARG A 12 4.859 -6.728 -2.087 1.00 0.00 C ATOM 227 NH1 ARG A 12 3.560 -6.960 -2.231 1.00 0.00 N ATOM 228 NH2 ARG A 12 5.739 -7.563 -2.623 1.00 0.00 N ATOM 0 H ARG A 12 5.393 -1.714 1.377 1.00 0.00 H new ATOM 0 HA ARG A 12 7.519 -3.313 2.355 1.00 0.00 H new ATOM 0 HB2 ARG A 12 6.645 -4.880 0.559 1.00 0.00 H new ATOM 0 HB3 ARG A 12 5.489 -4.378 1.777 1.00 0.00 H new ATOM 0 HG2 ARG A 12 4.445 -2.822 0.266 1.00 0.00 H new ATOM 0 HG3 ARG A 12 5.721 -3.020 -0.919 1.00 0.00 H new ATOM 0 HD2 ARG A 12 3.785 -5.193 -0.024 1.00 0.00 H new ATOM 0 HD3 ARG A 12 3.689 -4.302 -1.529 1.00 0.00 H new ATOM 0 HE ARG A 12 6.283 -5.508 -1.333 1.00 0.00 H new ATOM 0 HH11 ARG A 12 2.879 -6.318 -1.825 1.00 0.00 H new ATOM 0 HH12 ARG A 12 3.243 -7.780 -2.748 1.00 0.00 H new ATOM 0 HH21 ARG A 12 6.738 -7.386 -2.519 1.00 0.00 H new ATOM 0 HH22 ARG A 12 5.417 -8.382 -3.139 1.00 0.00 H new ATOM 242 N ARG A 13 8.170 -1.582 -0.221 1.00 0.00 N ATOM 243 CA ARG A 13 9.171 -1.237 -1.225 1.00 0.00 C ATOM 244 C ARG A 13 10.585 -1.432 -0.682 1.00 0.00 C ATOM 245 O ARG A 13 11.100 -0.497 -0.032 1.00 0.00 O ATOM 246 CB ARG A 13 8.979 0.213 -1.675 1.00 0.00 C ATOM 247 CG ARG A 13 9.975 0.667 -2.729 1.00 0.00 C ATOM 248 CD ARG A 13 9.775 2.130 -3.088 1.00 0.00 C ATOM 249 NE ARG A 13 8.448 2.382 -3.644 1.00 0.00 N ATOM 250 CZ ARG A 13 8.032 3.580 -4.041 1.00 0.00 C ATOM 251 NH1 ARG A 13 8.834 4.631 -3.941 1.00 0.00 N ATOM 252 NH2 ARG A 13 6.812 3.728 -4.540 1.00 0.00 N ATOM 0 H ARG A 13 7.482 -0.850 -0.048 1.00 0.00 H new ATOM 0 HA ARG A 13 9.041 -1.902 -2.079 1.00 0.00 H new ATOM 0 HB2 ARG A 13 7.969 0.330 -2.069 1.00 0.00 H new ATOM 0 HB3 ARG A 13 9.061 0.867 -0.807 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.990 0.517 -2.361 1.00 0.00 H new ATOM 0 HG3 ARG A 13 9.866 0.053 -3.623 1.00 0.00 H new ATOM 0 HD2 ARG A 13 9.918 2.744 -2.199 1.00 0.00 H new ATOM 0 HD3 ARG A 13 10.534 2.433 -3.810 1.00 0.00 H new ATOM 0 HE ARG A 13 7.805 1.595 -3.732 1.00 0.00 H new ATOM 0 HH11 ARG A 13 9.773 4.521 -3.559 1.00 0.00 H new ATOM 0 HH12 ARG A 13 8.512 5.549 -4.247 1.00 0.00 H new ATOM 0 HH21 ARG A 13 6.192 2.922 -4.619 1.00 0.00 H new ATOM 0 HH22 ARG A 13 6.494 4.648 -4.844 1.00 0.00 H new HETATM 266 N NH2 A 14 10.774 -1.515 0.631 1.00 0.00 N TER 269 NH2 A 14