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+ 143:sc= -0.0239 (180deg=-0.223) USER MOD ----------------------------------------------------------------- ATOM 1 N VAL A 1 11.594 -2.695 4.811 1.00 0.00 N ATOM 2 CA VAL A 1 10.625 -3.295 3.859 1.00 0.00 C ATOM 3 C VAL A 1 9.957 -2.220 3.007 1.00 0.00 C ATOM 4 O VAL A 1 9.598 -1.153 3.506 1.00 0.00 O ATOM 5 CB VAL A 1 9.540 -4.104 4.600 1.00 0.00 C ATOM 6 CG1 VAL A 1 8.752 -3.211 5.547 1.00 0.00 C ATOM 7 CG2 VAL A 1 8.612 -4.791 3.608 1.00 0.00 C ATOM 0 H1 VAL A 1 11.563 -3.215 5.711 1.00 0.00 H new ATOM 0 H2 VAL A 1 12.553 -2.751 4.412 1.00 0.00 H new ATOM 0 H3 VAL A 1 11.346 -1.699 4.977 1.00 0.00 H new ATOM 0 HA VAL A 1 11.187 -3.968 3.211 1.00 0.00 H new ATOM 0 HB VAL A 1 10.034 -4.873 5.194 1.00 0.00 H new ATOM 0 HG11 VAL A 1 7.993 -3.803 6.058 1.00 0.00 H new ATOM 0 HG12 VAL A 1 9.428 -2.775 6.282 1.00 0.00 H new ATOM 0 HG13 VAL A 1 8.270 -2.415 4.980 1.00 0.00 H new ATOM 0 HG21 VAL A 1 7.854 -5.356 4.150 1.00 0.00 H new ATOM 0 HG22 VAL A 1 8.127 -4.041 2.983 1.00 0.00 H new ATOM 0 HG23 VAL A 1 9.189 -5.469 2.979 1.00 0.00 H new ATOM 19 N ARG A 2 9.798 -2.507 1.718 1.00 0.00 N ATOM 20 CA ARG A 2 9.177 -1.564 0.794 1.00 0.00 C ATOM 21 C ARG A 2 8.943 -2.208 -0.570 1.00 0.00 C ATOM 22 O ARG A 2 9.811 -2.907 -1.095 1.00 0.00 O ATOM 23 CB ARG A 2 10.051 -0.318 0.637 1.00 0.00 C ATOM 24 CG ARG A 2 11.448 -0.615 0.117 1.00 0.00 C ATOM 25 CD ARG A 2 12.271 0.655 -0.022 1.00 0.00 C ATOM 26 NE ARG A 2 12.409 1.358 1.250 1.00 0.00 N ATOM 27 CZ ARG A 2 13.085 2.494 1.396 1.00 0.00 C ATOM 28 NH1 ARG A 2 13.683 3.054 0.353 1.00 0.00 N ATOM 29 NH2 ARG A 2 13.163 3.072 2.587 1.00 0.00 N ATOM 0 H ARG A 2 10.091 -3.385 1.290 1.00 0.00 H new ATOM 0 HA ARG A 2 8.212 -1.274 1.209 1.00 0.00 H new ATOM 0 HB2 ARG A 2 9.559 0.377 -0.044 1.00 0.00 H new ATOM 0 HB3 ARG A 2 10.131 0.183 1.602 1.00 0.00 H new ATOM 0 HG2 ARG A 2 11.951 -1.304 0.795 1.00 0.00 H new ATOM 0 HG3 ARG A 2 11.379 -1.113 -0.850 1.00 0.00 H new ATOM 0 HD2 ARG A 2 13.260 0.406 -0.408 1.00 0.00 H new ATOM 0 HD3 ARG A 2 11.800 1.314 -0.752 1.00 0.00 H new ATOM 0 HE ARG A 2 11.962 0.955 2.073 1.00 0.00 H new ATOM 0 HH11 ARG A 2 13.625 2.613 -0.565 1.00 0.00 H new ATOM 0 HH12 ARG A 2 14.200 3.925 0.469 1.00 0.00 H new ATOM 0 HH21 ARG A 2 12.704 2.645 3.392 1.00 0.00 H new ATOM 0 HH22 ARG A 2 13.682 3.943 2.698 1.00 0.00 H new ATOM 43 N ARG A 3 7.763 -1.964 -1.135 1.00 0.00 N ATOM 44 CA ARG A 3 7.395 -2.506 -2.435 1.00 0.00 C ATOM 45 C ARG A 3 6.014 -2.028 -2.762 1.00 0.00 C ATOM 46 O ARG A 3 5.250 -2.675 -3.479 1.00 0.00 O ATOM 47 CB ARG A 3 7.444 -4.031 -2.424 1.00 0.00 C ATOM 48 CG ARG A 3 6.513 -4.642 -1.398 1.00 0.00 C ATOM 49 CD ARG A 3 6.738 -6.136 -1.262 1.00 0.00 C ATOM 50 NE ARG A 3 6.503 -6.847 -2.517 1.00 0.00 N ATOM 51 CZ ARG A 3 5.324 -6.896 -3.133 1.00 0.00 C ATOM 52 NH1 ARG A 3 4.267 -6.292 -2.605 1.00 0.00 N ATOM 53 NH2 ARG A 3 5.201 -7.555 -4.277 1.00 0.00 N ATOM 0 H ARG A 3 7.040 -1.387 -0.705 1.00 0.00 H new ATOM 0 HA ARG A 3 8.102 -2.164 -3.191 1.00 0.00 H new ATOM 0 HB2 ARG A 3 7.182 -4.405 -3.414 1.00 0.00 H new ATOM 0 HB3 ARG A 3 8.464 -4.355 -2.220 1.00 0.00 H new ATOM 0 HG2 ARG A 3 6.668 -4.160 -0.432 1.00 0.00 H new ATOM 0 HG3 ARG A 3 5.479 -4.454 -1.686 1.00 0.00 H new ATOM 0 HD2 ARG A 3 7.760 -6.319 -0.929 1.00 0.00 H new ATOM 0 HD3 ARG A 3 6.076 -6.533 -0.492 1.00 0.00 H new ATOM 0 HE ARG A 3 7.289 -7.335 -2.946 1.00 0.00 H new ATOM 0 HH11 ARG A 3 4.356 -5.787 -1.723 1.00 0.00 H new ATOM 0 HH12 ARG A 3 3.366 -6.333 -3.081 1.00 0.00 H new ATOM 0 HH21 ARG A 3 6.010 -8.024 -4.685 1.00 0.00 H new ATOM 0 HH22 ARG A 3 4.298 -7.593 -4.749 1.00 0.00 H new ATOM 67 N PHE A 4 5.711 -0.876 -2.207 1.00 0.00 N ATOM 68 CA PHE A 4 4.435 -0.264 -2.395 1.00 0.00 C ATOM 69 C PHE A 4 4.465 1.187 -1.970 1.00 0.00 C ATOM 70 O PHE A 4 5.387 1.642 -1.292 1.00 0.00 O ATOM 71 CB PHE A 4 3.371 -0.981 -1.581 1.00 0.00 C ATOM 72 CG PHE A 4 3.583 -0.919 -0.094 1.00 0.00 C ATOM 73 CD1 PHE A 4 4.548 -1.701 0.518 1.00 0.00 C ATOM 74 CD2 PHE A 4 2.819 -0.061 0.691 1.00 0.00 C ATOM 75 CE1 PHE A 4 4.749 -1.635 1.884 1.00 0.00 C ATOM 76 CE2 PHE A 4 3.018 0.008 2.056 1.00 0.00 C ATOM 77 CZ PHE A 4 3.983 -0.780 2.654 1.00 0.00 C ATOM 0 H PHE A 4 6.349 -0.345 -1.614 1.00 0.00 H new ATOM 0 HA PHE A 4 4.196 -0.330 -3.456 1.00 0.00 H new ATOM 0 HB2 PHE A 4 2.398 -0.549 -1.816 1.00 0.00 H new ATOM 0 HB3 PHE A 4 3.338 -2.026 -1.888 1.00 0.00 H new ATOM 0 HD1 PHE A 4 5.150 -2.370 -0.079 1.00 0.00 H new ATOM 0 HD2 PHE A 4 2.063 0.557 0.229 1.00 0.00 H new ATOM 0 HE1 PHE A 4 5.504 -2.251 2.349 1.00 0.00 H new ATOM 0 HE2 PHE A 4 2.420 0.678 2.656 1.00 0.00 H new ATOM 0 HZ PHE A 4 4.138 -0.728 3.721 1.00 0.00 H new ATOM 87 N PRO A 5 3.422 1.915 -2.344 1.00 0.00 N ATOM 88 CA PRO A 5 3.258 3.323 -1.996 1.00 0.00 C ATOM 89 C PRO A 5 3.147 3.529 -0.483 1.00 0.00 C ATOM 90 O PRO A 5 4.086 3.997 0.161 1.00 0.00 O ATOM 91 CB PRO A 5 1.929 3.681 -2.671 1.00 0.00 C ATOM 92 CG PRO A 5 1.710 2.634 -3.696 1.00 0.00 C ATOM 93 CD PRO A 5 2.285 1.407 -3.116 1.00 0.00 C ATOM 0 HA PRO A 5 4.104 3.933 -2.313 1.00 0.00 H new ATOM 0 HB2 PRO A 5 1.114 3.698 -1.948 1.00 0.00 H new ATOM 0 HB3 PRO A 5 1.974 4.671 -3.125 1.00 0.00 H new ATOM 0 HG2 PRO A 5 0.649 2.509 -3.912 1.00 0.00 H new ATOM 0 HG3 PRO A 5 2.198 2.893 -4.635 1.00 0.00 H new ATOM 0 HD2 PRO A 5 1.568 0.884 -2.483 1.00 0.00 H new ATOM 0 HD3 PRO A 5 2.601 0.705 -3.887 1.00 0.00 H new ATOM 101 N TRP A 6 1.979 3.153 0.052 1.00 0.00 N ATOM 102 CA TRP A 6 1.649 3.251 1.484 1.00 0.00 C ATOM 103 C TRP A 6 0.139 3.358 1.647 1.00 0.00 C ATOM 104 O TRP A 6 -0.450 2.819 2.584 1.00 0.00 O ATOM 105 CB TRP A 6 2.317 4.441 2.161 1.00 0.00 C ATOM 106 CG TRP A 6 1.806 5.749 1.681 1.00 0.00 C ATOM 107 CD1 TRP A 6 2.394 6.549 0.764 1.00 0.00 C ATOM 108 CD2 TRP A 6 0.611 6.415 2.099 1.00 0.00 C ATOM 109 NE1 TRP A 6 1.640 7.667 0.568 1.00 0.00 N ATOM 110 CE2 TRP A 6 0.539 7.618 1.382 1.00 0.00 C ATOM 111 CE3 TRP A 6 -0.405 6.107 3.007 1.00 0.00 C ATOM 112 CZ2 TRP A 6 -0.508 8.521 1.543 1.00 0.00 C ATOM 113 CZ3 TRP A 6 -1.447 7.002 3.169 1.00 0.00 C ATOM 114 CH2 TRP A 6 -1.490 8.198 2.440 1.00 0.00 C ATOM 0 H TRP A 6 1.220 2.764 -0.507 1.00 0.00 H new ATOM 0 HA TRP A 6 2.027 2.350 1.967 1.00 0.00 H new ATOM 0 HB2 TRP A 6 2.164 4.371 3.238 1.00 0.00 H new ATOM 0 HB3 TRP A 6 3.392 4.393 1.988 1.00 0.00 H new ATOM 0 HD1 TRP A 6 3.325 6.334 0.260 1.00 0.00 H new ATOM 0 HE1 TRP A 6 1.860 8.421 -0.082 1.00 0.00 H new ATOM 0 HE3 TRP A 6 -0.377 5.187 3.572 1.00 0.00 H new ATOM 0 HZ2 TRP A 6 -0.544 9.442 0.981 1.00 0.00 H new ATOM 0 HZ3 TRP A 6 -2.239 6.776 3.868 1.00 0.00 H new ATOM 0 HH2 TRP A 6 -2.315 8.879 2.589 1.00 0.00 H new ATOM 125 N TRP A 7 -0.463 4.072 0.706 1.00 0.00 N ATOM 126 CA TRP A 7 -1.904 4.295 0.661 1.00 0.00 C ATOM 127 C TRP A 7 -2.571 3.150 -0.041 1.00 0.00 C ATOM 128 O TRP A 7 -3.795 3.033 -0.067 1.00 0.00 O ATOM 129 CB TRP A 7 -2.195 5.536 -0.165 1.00 0.00 C ATOM 130 CG TRP A 7 -1.453 5.480 -1.459 1.00 0.00 C ATOM 131 CD1 TRP A 7 -0.286 6.090 -1.706 1.00 0.00 C ATOM 132 CD2 TRP A 7 -1.765 4.728 -2.646 1.00 0.00 C ATOM 133 NE1 TRP A 7 0.147 5.807 -2.963 1.00 0.00 N ATOM 134 CE2 TRP A 7 -0.739 4.977 -3.568 1.00 0.00 C ATOM 135 CE3 TRP A 7 -2.799 3.883 -3.028 1.00 0.00 C ATOM 136 CZ2 TRP A 7 -0.709 4.413 -4.838 1.00 0.00 C ATOM 137 CZ3 TRP A 7 -2.755 3.311 -4.284 1.00 0.00 C ATOM 138 CH2 TRP A 7 -1.724 3.575 -5.171 1.00 0.00 C ATOM 0 H TRP A 7 0.042 4.520 -0.059 1.00 0.00 H new ATOM 0 HA TRP A 7 -2.270 4.398 1.683 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -3.266 5.613 -0.354 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -1.905 6.428 0.391 1.00 0.00 H new ATOM 0 HD1 TRP A 7 0.239 6.720 -1.003 1.00 0.00 H new ATOM 0 HE1 TRP A 7 1.004 6.163 -3.385 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -3.620 3.678 -2.357 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 0.089 4.632 -5.532 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -3.546 2.639 -4.583 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -1.728 3.106 -6.144 1.00 0.00 H new ATOM 149 N TRP A 8 -1.748 2.377 -0.714 1.00 0.00 N ATOM 150 CA TRP A 8 -2.229 1.311 -1.534 1.00 0.00 C ATOM 151 C TRP A 8 -2.641 0.031 -0.770 1.00 0.00 C ATOM 152 O TRP A 8 -3.553 -0.671 -1.201 1.00 0.00 O ATOM 153 CB TRP A 8 -1.196 1.030 -2.581 1.00 0.00 C ATOM 154 CG TRP A 8 -0.517 -0.190 -2.258 1.00 0.00 C ATOM 155 CD1 TRP A 8 0.411 -0.348 -1.340 1.00 0.00 C ATOM 156 CD2 TRP A 8 -0.801 -1.426 -2.802 1.00 0.00 C ATOM 157 NE1 TRP A 8 0.777 -1.661 -1.287 1.00 0.00 N ATOM 158 CE2 TRP A 8 0.028 -2.355 -2.205 1.00 0.00 C ATOM 159 CE3 TRP A 8 -1.683 -1.793 -3.757 1.00 0.00 C ATOM 160 CZ2 TRP A 8 -0.015 -3.695 -2.554 1.00 0.00 C ATOM 161 CZ3 TRP A 8 -1.753 -3.115 -4.130 1.00 0.00 C ATOM 162 CH2 TRP A 8 -0.916 -4.062 -3.524 1.00 0.00 C ATOM 0 H TRP A 8 -0.733 2.477 -0.702 1.00 0.00 H new ATOM 0 HA TRP A 8 -3.163 1.642 -1.987 1.00 0.00 H new ATOM 0 HB2 TRP A 8 -1.667 0.950 -3.561 1.00 0.00 H new ATOM 0 HB3 TRP A 8 -0.484 1.853 -2.636 1.00 0.00 H new ATOM 0 HD1 TRP A 8 0.820 0.439 -0.724 1.00 0.00 H new ATOM 0 HE1 TRP A 8 1.486 -2.059 -0.671 1.00 0.00 H new ATOM 0 HE3 TRP A 8 -2.324 -1.058 -4.221 1.00 0.00 H new ATOM 0 HZ2 TRP A 8 0.632 -4.420 -2.084 1.00 0.00 H new ATOM 0 HZ3 TRP A 8 -2.454 -3.424 -4.891 1.00 0.00 H new ATOM 0 HH2 TRP A 8 -0.980 -5.097 -3.825 1.00 0.00 H new ATOM 173 N PRO A 9 -2.025 -0.275 0.389 1.00 0.00 N ATOM 174 CA PRO A 9 -2.392 -1.425 1.196 1.00 0.00 C ATOM 175 C PRO A 9 -3.505 -0.961 2.080 1.00 0.00 C ATOM 176 O PRO A 9 -3.543 -1.199 3.288 1.00 0.00 O ATOM 177 CB PRO A 9 -1.131 -1.709 2.005 1.00 0.00 C ATOM 178 CG PRO A 9 -0.429 -0.390 2.115 1.00 0.00 C ATOM 179 CD PRO A 9 -0.997 0.522 1.049 1.00 0.00 C ATOM 0 HA PRO A 9 -2.716 -2.310 0.649 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -1.376 -2.108 2.989 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -0.503 -2.449 1.509 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -0.576 0.041 3.105 1.00 0.00 H new ATOM 0 HG3 PRO A 9 0.645 -0.516 1.979 1.00 0.00 H new ATOM 0 HD2 PRO A 9 -1.418 1.428 1.486 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.226 0.836 0.345 1.00 0.00 H new ATOM 187 N PHE A 10 -4.337 -0.174 1.441 1.00 0.00 N ATOM 188 CA PHE A 10 -5.408 0.509 2.080 1.00 0.00 C ATOM 189 C PHE A 10 -6.613 0.610 1.144 1.00 0.00 C ATOM 190 O PHE A 10 -7.745 0.341 1.548 1.00 0.00 O ATOM 191 CB PHE A 10 -4.826 1.875 2.409 1.00 0.00 C ATOM 192 CG PHE A 10 -5.750 2.821 3.100 1.00 0.00 C ATOM 193 CD1 PHE A 10 -6.599 2.394 4.104 1.00 0.00 C ATOM 194 CD2 PHE A 10 -5.758 4.151 2.735 1.00 0.00 C ATOM 195 CE1 PHE A 10 -7.445 3.287 4.732 1.00 0.00 C ATOM 196 CE2 PHE A 10 -6.594 5.048 3.353 1.00 0.00 C ATOM 197 CZ PHE A 10 -7.443 4.619 4.356 1.00 0.00 C ATOM 0 H PHE A 10 -4.277 0.006 0.439 1.00 0.00 H new ATOM 0 HA PHE A 10 -5.775 -0.001 2.971 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -3.945 1.733 3.035 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -4.487 2.338 1.482 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -6.601 1.355 4.399 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -5.097 4.492 1.952 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -8.107 2.947 5.515 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -6.588 6.086 3.056 1.00 0.00 H new ATOM 0 HZ PHE A 10 -8.103 5.321 4.845 1.00 0.00 H new ATOM 207 N LEU A 11 -6.360 0.977 -0.117 1.00 0.00 N ATOM 208 CA LEU A 11 -7.436 1.080 -1.105 1.00 0.00 C ATOM 209 C LEU A 11 -7.770 -0.301 -1.657 1.00 0.00 C ATOM 210 O LEU A 11 -8.930 -0.606 -1.935 1.00 0.00 O ATOM 211 CB LEU A 11 -7.069 2.037 -2.253 1.00 0.00 C ATOM 212 CG LEU A 11 -6.282 1.431 -3.416 1.00 0.00 C ATOM 213 CD1 LEU A 11 -6.248 2.392 -4.594 1.00 0.00 C ATOM 214 CD2 LEU A 11 -4.881 1.110 -2.963 1.00 0.00 C ATOM 0 H LEU A 11 -5.432 1.205 -0.473 1.00 0.00 H new ATOM 0 HA LEU A 11 -8.311 1.491 -0.602 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -7.990 2.465 -2.649 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -6.487 2.861 -1.839 1.00 0.00 H new ATOM 0 HG LEU A 11 -6.774 0.513 -3.738 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -5.684 1.945 -5.412 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -7.266 2.598 -4.925 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -5.770 3.323 -4.290 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -4.320 0.678 -3.792 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -4.389 2.023 -2.629 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -4.919 0.396 -2.140 1.00 0.00 H new ATOM 226 N ARG A 12 -6.741 -1.136 -1.810 1.00 0.00 N ATOM 227 CA ARG A 12 -6.924 -2.487 -2.324 1.00 0.00 C ATOM 228 C ARG A 12 -7.881 -3.273 -1.434 1.00 0.00 C ATOM 229 O ARG A 12 -8.709 -4.042 -1.924 1.00 0.00 O ATOM 230 CB ARG A 12 -5.578 -3.215 -2.438 1.00 0.00 C ATOM 231 CG ARG A 12 -4.833 -3.365 -1.119 1.00 0.00 C ATOM 232 CD ARG A 12 -3.570 -4.195 -1.290 1.00 0.00 C ATOM 233 NE ARG A 12 -2.918 -4.476 -0.014 1.00 0.00 N ATOM 234 CZ ARG A 12 -3.442 -5.256 0.927 1.00 0.00 C ATOM 235 NH1 ARG A 12 -4.610 -5.852 0.725 1.00 0.00 N ATOM 236 NH2 ARG A 12 -2.795 -5.447 2.069 1.00 0.00 N ATOM 0 H ARG A 12 -5.775 -0.898 -1.585 1.00 0.00 H new ATOM 0 HA ARG A 12 -7.358 -2.415 -3.321 1.00 0.00 H new ATOM 0 HB2 ARG A 12 -5.749 -4.205 -2.860 1.00 0.00 H new ATOM 0 HB3 ARG A 12 -4.944 -2.674 -3.140 1.00 0.00 H new ATOM 0 HG2 ARG A 12 -4.574 -2.380 -0.731 1.00 0.00 H new ATOM 0 HG3 ARG A 12 -5.484 -3.836 -0.383 1.00 0.00 H new ATOM 0 HD2 ARG A 12 -3.819 -5.134 -1.784 1.00 0.00 H new ATOM 0 HD3 ARG A 12 -2.875 -3.666 -1.942 1.00 0.00 H new ATOM 0 HE ARG A 12 -2.009 -4.050 0.166 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -5.108 -5.713 -0.154 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -5.009 -6.450 1.449 1.00 0.00 H new ATOM 0 HH21 ARG A 12 -1.894 -4.995 2.226 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -3.198 -6.046 2.790 1.00 0.00 H new ATOM 250 N ARG A 13 -7.772 -3.062 -0.125 1.00 0.00 N ATOM 251 CA ARG A 13 -8.638 -3.738 0.834 1.00 0.00 C ATOM 252 C ARG A 13 -10.096 -3.388 0.571 1.00 0.00 C ATOM 253 O ARG A 13 -10.864 -4.303 0.206 1.00 0.00 O ATOM 254 CB ARG A 13 -8.266 -3.338 2.262 1.00 0.00 C ATOM 255 CG ARG A 13 -6.878 -3.786 2.683 1.00 0.00 C ATOM 256 CD ARG A 13 -6.790 -5.300 2.789 1.00 0.00 C ATOM 257 NE ARG A 13 -7.755 -5.838 3.744 1.00 0.00 N ATOM 258 CZ ARG A 13 -7.889 -7.135 4.009 1.00 0.00 C ATOM 259 NH1 ARG A 13 -7.117 -8.024 3.397 1.00 0.00 N ATOM 260 NH2 ARG A 13 -8.795 -7.543 4.887 1.00 0.00 N ATOM 0 H ARG A 13 -7.092 -2.428 0.295 1.00 0.00 H new ATOM 0 HA ARG A 13 -8.502 -4.813 0.717 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -8.331 -2.254 2.354 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -8.998 -3.761 2.950 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -6.144 -3.427 1.961 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -6.626 -3.338 3.644 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -6.965 -5.743 1.808 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -5.782 -5.584 3.092 1.00 0.00 H new ATOM 0 HE ARG A 13 -8.361 -5.182 4.236 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -6.419 -7.714 2.721 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -7.222 -9.018 3.602 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -9.390 -6.862 5.360 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -8.897 -8.537 5.090 1.00 0.00 H new HETATM 274 N NH2 A 14 -10.389 -2.170 0.135 1.00 0.00 N TER 277 NH2 A 14