USER MOD reduce.3.24.130724 H: found=0, std=0, add=141, rem=0, adj=1 USER MOD reduce.3.24.130724 removed 141 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 ARG N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ARG A 1 7.450 -4.911 -7.027 1.00 0.00 N ATOM 2 CA ARG A 1 6.810 -6.217 -7.311 1.00 0.00 C ATOM 3 C ARG A 1 5.701 -6.493 -6.303 1.00 0.00 C ATOM 4 O ARG A 1 5.917 -6.425 -5.094 1.00 0.00 O ATOM 5 CB ARG A 1 7.854 -7.339 -7.274 1.00 0.00 C ATOM 6 CG ARG A 1 7.279 -8.735 -7.485 1.00 0.00 C ATOM 7 CD ARG A 1 6.485 -8.836 -8.782 1.00 0.00 C ATOM 8 NE ARG A 1 7.284 -8.481 -9.953 1.00 0.00 N ATOM 9 CZ ARG A 1 6.765 -8.074 -11.112 1.00 0.00 C ATOM 10 NH1 ARG A 1 5.448 -7.972 -11.260 1.00 0.00 N ATOM 11 NH2 ARG A 1 7.566 -7.768 -12.121 1.00 0.00 N ATOM 0 H1 ARG A 1 8.204 -4.736 -7.722 1.00 0.00 H new ATOM 0 H2 ARG A 1 6.739 -4.155 -7.090 1.00 0.00 H new ATOM 0 H3 ARG A 1 7.857 -4.925 -6.070 1.00 0.00 H new ATOM 0 HA ARG A 1 6.372 -6.181 -8.309 1.00 0.00 H new ATOM 0 HB2 ARG A 1 8.604 -7.147 -8.041 1.00 0.00 H new ATOM 0 HB3 ARG A 1 8.367 -7.311 -6.313 1.00 0.00 H new ATOM 0 HG2 ARG A 1 8.090 -9.463 -7.499 1.00 0.00 H new ATOM 0 HG3 ARG A 1 6.634 -8.992 -6.644 1.00 0.00 H new ATOM 0 HD2 ARG A 1 6.109 -9.853 -8.897 1.00 0.00 H new ATOM 0 HD3 ARG A 1 5.617 -8.180 -8.725 1.00 0.00 H new ATOM 0 HE ARG A 1 8.299 -8.549 -9.879 1.00 0.00 H new ATOM 0 HH11 ARG A 1 4.828 -8.206 -10.484 1.00 0.00 H new ATOM 0 HH12 ARG A 1 5.057 -7.660 -12.149 1.00 0.00 H new ATOM 0 HH21 ARG A 1 8.577 -7.844 -12.011 1.00 0.00 H new ATOM 0 HH22 ARG A 1 7.172 -7.456 -13.009 1.00 0.00 H new ATOM 27 N GLY A 2 4.515 -6.797 -6.810 1.00 0.00 N ATOM 28 CA GLY A 2 3.388 -7.079 -5.947 1.00 0.00 C ATOM 29 C GLY A 2 2.370 -5.961 -5.979 1.00 0.00 C ATOM 30 O GLY A 2 2.720 -4.797 -5.781 1.00 0.00 O ATOM 0 H GLY A 2 4.313 -6.853 -7.808 1.00 0.00 H new ATOM 0 HA2 GLY A 2 2.916 -8.011 -6.257 1.00 0.00 H new ATOM 0 HA3 GLY A 2 3.739 -7.224 -4.925 1.00 0.00 H new ATOM 34 N GLY A 3 1.118 -6.309 -6.238 1.00 0.00 N ATOM 35 CA GLY A 3 0.068 -5.313 -6.325 1.00 0.00 C ATOM 36 C GLY A 3 -0.421 -4.870 -4.963 1.00 0.00 C ATOM 37 O GLY A 3 -1.572 -5.110 -4.599 1.00 0.00 O ATOM 0 H GLY A 3 0.809 -7.269 -6.390 1.00 0.00 H new ATOM 0 HA2 GLY A 3 0.437 -4.447 -6.875 1.00 0.00 H new ATOM 0 HA3 GLY A 3 -0.768 -5.719 -6.894 1.00 0.00 H new ATOM 41 N ARG A 4 0.461 -4.240 -4.205 1.00 0.00 N ATOM 42 CA ARG A 4 0.109 -3.718 -2.896 1.00 0.00 C ATOM 43 C ARG A 4 0.232 -2.205 -2.899 1.00 0.00 C ATOM 44 O ARG A 4 1.309 -1.661 -3.145 1.00 0.00 O ATOM 45 CB ARG A 4 1.007 -4.314 -1.810 1.00 0.00 C ATOM 46 CG ARG A 4 0.937 -5.827 -1.714 1.00 0.00 C ATOM 47 CD ARG A 4 1.810 -6.350 -0.586 1.00 0.00 C ATOM 48 NE ARG A 4 3.219 -6.016 -0.778 1.00 0.00 N ATOM 49 CZ ARG A 4 4.109 -5.941 0.209 1.00 0.00 C ATOM 50 NH1 ARG A 4 3.740 -6.180 1.462 1.00 0.00 N ATOM 51 NH2 ARG A 4 5.372 -5.639 -0.058 1.00 0.00 N ATOM 0 H ARG A 4 1.431 -4.077 -4.476 1.00 0.00 H new ATOM 0 HA ARG A 4 -0.921 -3.998 -2.677 1.00 0.00 H new ATOM 0 HB2 ARG A 4 2.038 -4.020 -2.004 1.00 0.00 H new ATOM 0 HB3 ARG A 4 0.729 -3.886 -0.847 1.00 0.00 H new ATOM 0 HG2 ARG A 4 -0.096 -6.136 -1.551 1.00 0.00 H new ATOM 0 HG3 ARG A 4 1.256 -6.269 -2.658 1.00 0.00 H new ATOM 0 HD2 ARG A 4 1.465 -5.934 0.361 1.00 0.00 H new ATOM 0 HD3 ARG A 4 1.701 -7.432 -0.517 1.00 0.00 H new ATOM 0 HE ARG A 4 3.541 -5.829 -1.728 1.00 0.00 H new ATOM 0 HH11 ARG A 4 2.771 -6.422 1.671 1.00 0.00 H new ATOM 0 HH12 ARG A 4 4.425 -6.121 2.215 1.00 0.00 H new ATOM 0 HH21 ARG A 4 5.662 -5.464 -1.020 1.00 0.00 H new ATOM 0 HH22 ARG A 4 6.054 -5.582 0.699 1.00 0.00 H new ATOM 65 N LEU A 5 -0.873 -1.531 -2.636 1.00 0.00 N ATOM 66 CA LEU A 5 -0.903 -0.079 -2.655 1.00 0.00 C ATOM 67 C LEU A 5 -1.479 0.458 -1.356 1.00 0.00 C ATOM 68 O LEU A 5 -2.526 0.002 -0.900 1.00 0.00 O ATOM 69 CB LEU A 5 -1.734 0.421 -3.837 1.00 0.00 C ATOM 70 CG LEU A 5 -1.236 -0.015 -5.218 1.00 0.00 C ATOM 71 CD1 LEU A 5 -2.190 0.457 -6.298 1.00 0.00 C ATOM 72 CD2 LEU A 5 0.164 0.517 -5.478 1.00 0.00 C ATOM 0 H LEU A 5 -1.765 -1.968 -2.406 1.00 0.00 H new ATOM 0 HA LEU A 5 0.120 0.283 -2.763 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -2.759 0.073 -3.712 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -1.761 1.510 -3.806 1.00 0.00 H new ATOM 0 HG LEU A 5 -1.198 -1.104 -5.239 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -1.822 0.139 -7.273 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -3.177 0.027 -6.125 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -2.258 1.545 -6.273 1.00 0.00 H new ATOM 0 HD21 LEU A 5 0.498 0.195 -6.464 1.00 0.00 H new ATOM 0 HD22 LEU A 5 0.153 1.606 -5.436 1.00 0.00 H new ATOM 0 HD23 LEU A 5 0.846 0.131 -4.720 1.00 0.00 H new ATOM 84 N CYS A 6 -0.791 1.415 -0.761 1.00 0.00 N ATOM 85 CA CYS A 6 -1.252 2.031 0.471 1.00 0.00 C ATOM 86 C CYS A 6 -1.587 3.494 0.230 1.00 0.00 C ATOM 87 O CYS A 6 -0.838 4.208 -0.435 1.00 0.00 O ATOM 88 CB CYS A 6 -0.188 1.915 1.564 1.00 0.00 C ATOM 89 SG CYS A 6 0.348 0.206 1.910 1.00 0.00 S ATOM 0 H CYS A 6 0.093 1.784 -1.112 1.00 0.00 H new ATOM 0 HA CYS A 6 -2.149 1.507 0.802 1.00 0.00 H new ATOM 0 HB2 CYS A 6 0.681 2.504 1.273 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -0.578 2.354 2.482 1.00 0.00 H new ATOM 94 N TYR A 7 -2.717 3.933 0.755 1.00 0.00 N ATOM 95 CA TYR A 7 -3.127 5.322 0.623 1.00 0.00 C ATOM 96 C TYR A 7 -3.286 5.939 2.001 1.00 0.00 C ATOM 97 O TYR A 7 -4.095 5.477 2.809 1.00 0.00 O ATOM 98 CB TYR A 7 -4.434 5.424 -0.166 1.00 0.00 C ATOM 99 CG TYR A 7 -4.340 4.833 -1.555 1.00 0.00 C ATOM 100 CD1 TYR A 7 -4.813 3.553 -1.821 1.00 0.00 C ATOM 101 CD2 TYR A 7 -3.764 5.549 -2.596 1.00 0.00 C ATOM 102 CE1 TYR A 7 -4.716 3.007 -3.085 1.00 0.00 C ATOM 103 CE2 TYR A 7 -3.666 5.010 -3.864 1.00 0.00 C ATOM 104 CZ TYR A 7 -4.142 3.739 -4.102 1.00 0.00 C ATOM 105 OH TYR A 7 -4.043 3.196 -5.363 1.00 0.00 O ATOM 0 H TYR A 7 -3.369 3.348 1.278 1.00 0.00 H new ATOM 0 HA TYR A 7 -2.359 5.869 0.075 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -5.224 4.915 0.386 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -4.723 6.472 -0.243 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -5.263 2.977 -1.026 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -3.386 6.544 -2.411 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -5.088 2.011 -3.276 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -3.219 5.581 -4.664 1.00 0.00 H new ATOM 0 HH TYR A 7 -3.615 3.841 -5.964 1.00 0.00 H new ATOM 115 N CYS A 8 -2.510 6.976 2.268 1.00 0.00 N ATOM 116 CA CYS A 8 -2.495 7.591 3.585 1.00 0.00 C ATOM 117 C CYS A 8 -3.175 8.954 3.549 1.00 0.00 C ATOM 118 O CYS A 8 -2.822 9.819 2.744 1.00 0.00 O ATOM 119 CB CYS A 8 -1.058 7.749 4.098 1.00 0.00 C ATOM 120 SG CYS A 8 -0.032 6.232 4.059 1.00 0.00 S ATOM 0 H CYS A 8 -1.882 7.410 1.591 1.00 0.00 H new ATOM 0 HA CYS A 8 -3.042 6.936 4.263 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -0.562 8.517 3.505 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -1.096 8.114 5.124 1.00 0.00 H new ATOM 125 N ARG A 9 -4.165 9.127 4.410 1.00 0.00 N ATOM 126 CA ARG A 9 -4.850 10.399 4.558 1.00 0.00 C ATOM 127 C ARG A 9 -4.818 10.844 6.015 1.00 0.00 C ATOM 128 O ARG A 9 -5.763 10.609 6.770 1.00 0.00 O ATOM 129 CB ARG A 9 -6.300 10.293 4.086 1.00 0.00 C ATOM 130 CG ARG A 9 -6.455 10.074 2.591 1.00 0.00 C ATOM 131 CD ARG A 9 -7.921 10.053 2.185 1.00 0.00 C ATOM 132 NE ARG A 9 -8.611 8.841 2.635 1.00 0.00 N ATOM 133 CZ ARG A 9 -9.402 8.781 3.711 1.00 0.00 C ATOM 134 NH1 ARG A 9 -9.579 9.850 4.479 1.00 0.00 N ATOM 135 NH2 ARG A 9 -10.022 7.648 4.015 1.00 0.00 N ATOM 0 H ARG A 9 -4.515 8.391 5.024 1.00 0.00 H new ATOM 0 HA ARG A 9 -4.335 11.136 3.942 1.00 0.00 H new ATOM 0 HB2 ARG A 9 -6.783 9.471 4.614 1.00 0.00 H new ATOM 0 HB3 ARG A 9 -6.828 11.205 4.365 1.00 0.00 H new ATOM 0 HG2 ARG A 9 -5.937 10.865 2.050 1.00 0.00 H new ATOM 0 HG3 ARG A 9 -5.984 9.133 2.308 1.00 0.00 H new ATOM 0 HD2 ARG A 9 -8.422 10.928 2.600 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -7.995 10.128 1.100 1.00 0.00 H new ATOM 0 HE ARG A 9 -8.479 7.988 2.092 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -9.110 10.726 4.250 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -10.184 9.795 5.298 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -9.895 6.824 3.428 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -10.626 7.601 4.836 1.00 0.00 H new ATOM 149 N GLY A 10 -3.721 11.469 6.409 1.00 0.00 N ATOM 150 CA GLY A 10 -3.601 11.987 7.758 1.00 0.00 C ATOM 151 C GLY A 10 -3.481 10.894 8.803 1.00 0.00 C ATOM 152 O GLY A 10 -2.413 10.311 8.983 1.00 0.00 O ATOM 0 H GLY A 10 -2.906 11.629 5.817 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -2.727 12.635 7.816 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -4.471 12.604 7.983 1.00 0.00 H new ATOM 156 N TRP A 11 -4.584 10.602 9.478 1.00 0.00 N ATOM 157 CA TRP A 11 -4.579 9.651 10.584 1.00 0.00 C ATOM 158 C TRP A 11 -5.098 8.286 10.152 1.00 0.00 C ATOM 159 O TRP A 11 -5.302 7.398 10.982 1.00 0.00 O ATOM 160 CB TRP A 11 -5.424 10.181 11.743 1.00 0.00 C ATOM 161 CG TRP A 11 -4.874 11.433 12.352 1.00 0.00 C ATOM 162 CD1 TRP A 11 -5.161 12.717 11.992 1.00 0.00 C ATOM 163 CD2 TRP A 11 -3.939 11.518 13.431 1.00 0.00 C ATOM 164 NE1 TRP A 11 -4.460 13.594 12.780 1.00 0.00 N ATOM 165 CE2 TRP A 11 -3.703 12.884 13.671 1.00 0.00 C ATOM 166 CE3 TRP A 11 -3.279 10.571 14.218 1.00 0.00 C ATOM 167 CZ2 TRP A 11 -2.835 13.324 14.664 1.00 0.00 C ATOM 168 CZ3 TRP A 11 -2.417 11.010 15.204 1.00 0.00 C ATOM 169 CH2 TRP A 11 -2.202 12.376 15.419 1.00 0.00 C ATOM 0 H TRP A 11 -5.497 11.011 9.279 1.00 0.00 H new ATOM 0 HA TRP A 11 -3.546 9.533 10.911 1.00 0.00 H new ATOM 0 HB2 TRP A 11 -6.437 10.372 11.388 1.00 0.00 H new ATOM 0 HB3 TRP A 11 -5.496 9.412 12.512 1.00 0.00 H new ATOM 0 HD1 TRP A 11 -5.841 13.001 11.202 1.00 0.00 H new ATOM 0 HE1 TRP A 11 -4.497 14.611 12.712 1.00 0.00 H new ATOM 0 HE3 TRP A 11 -3.440 9.515 14.058 1.00 0.00 H new ATOM 0 HZ2 TRP A 11 -2.667 14.377 14.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 11 -1.901 10.288 15.819 1.00 0.00 H new ATOM 0 HH2 TRP A 11 -1.522 12.688 16.198 1.00 0.00 H new ATOM 180 N ILE A 12 -5.318 8.120 8.860 1.00 0.00 N ATOM 181 CA ILE A 12 -5.783 6.847 8.335 1.00 0.00 C ATOM 182 C ILE A 12 -5.042 6.488 7.052 1.00 0.00 C ATOM 183 O ILE A 12 -5.068 7.229 6.073 1.00 0.00 O ATOM 184 CB ILE A 12 -7.316 6.849 8.087 1.00 0.00 C ATOM 185 CG1 ILE A 12 -7.775 5.519 7.475 1.00 0.00 C ATOM 186 CG2 ILE A 12 -7.730 8.013 7.197 1.00 0.00 C ATOM 187 CD1 ILE A 12 -7.567 4.326 8.382 1.00 0.00 C ATOM 0 H ILE A 12 -5.183 8.847 8.157 1.00 0.00 H new ATOM 0 HA ILE A 12 -5.569 6.090 9.090 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.804 6.971 9.054 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -8.833 5.592 7.223 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -7.235 5.353 6.543 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -8.809 7.987 7.042 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -7.455 8.953 7.676 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -7.223 7.934 6.235 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -7.915 3.423 7.881 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.507 4.226 8.615 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -8.129 4.468 9.305 1.00 0.00 H new ATOM 199 N CYS A 13 -4.352 5.364 7.073 1.00 0.00 N ATOM 200 CA CYS A 13 -3.690 4.865 5.885 1.00 0.00 C ATOM 201 C CYS A 13 -3.959 3.378 5.740 1.00 0.00 C ATOM 202 O CYS A 13 -3.611 2.585 6.614 1.00 0.00 O ATOM 203 CB CYS A 13 -2.185 5.136 5.943 1.00 0.00 C ATOM 204 SG CYS A 13 -1.301 4.683 4.412 1.00 0.00 S ATOM 0 H CYS A 13 -4.236 4.779 7.901 1.00 0.00 H new ATOM 0 HA CYS A 13 -4.088 5.387 5.015 1.00 0.00 H new ATOM 0 HB2 CYS A 13 -2.023 6.194 6.147 1.00 0.00 H new ATOM 0 HB3 CYS A 13 -1.756 4.581 6.778 1.00 0.00 H new ATOM 209 N PHE A 14 -4.588 3.009 4.640 1.00 0.00 N ATOM 210 CA PHE A 14 -4.974 1.629 4.410 1.00 0.00 C ATOM 211 C PHE A 14 -4.194 1.053 3.238 1.00 0.00 C ATOM 212 O PHE A 14 -3.783 1.785 2.334 1.00 0.00 O ATOM 213 CB PHE A 14 -6.483 1.524 4.161 1.00 0.00 C ATOM 214 CG PHE A 14 -6.953 2.249 2.932 1.00 0.00 C ATOM 215 CD1 PHE A 14 -7.042 1.587 1.721 1.00 0.00 C ATOM 216 CD2 PHE A 14 -7.298 3.589 2.987 1.00 0.00 C ATOM 217 CE1 PHE A 14 -7.466 2.244 0.586 1.00 0.00 C ATOM 218 CE2 PHE A 14 -7.724 4.255 1.855 1.00 0.00 C ATOM 219 CZ PHE A 14 -7.807 3.581 0.651 1.00 0.00 C ATOM 0 H PHE A 14 -4.844 3.649 3.888 1.00 0.00 H new ATOM 0 HA PHE A 14 -4.737 1.049 5.302 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -6.754 0.472 4.075 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -7.012 1.920 5.028 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -6.776 0.542 1.664 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -7.233 4.119 3.926 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -7.532 1.714 -0.353 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -7.992 5.300 1.910 1.00 0.00 H new ATOM 0 HZ PHE A 14 -8.138 4.099 -0.237 1.00 0.00 H new ATOM 229 N CYS A 15 -3.984 -0.250 3.263 1.00 0.00 N ATOM 230 CA CYS A 15 -3.214 -0.917 2.229 1.00 0.00 C ATOM 231 C CYS A 15 -4.052 -1.978 1.534 1.00 0.00 C ATOM 232 O CYS A 15 -4.731 -2.776 2.181 1.00 0.00 O ATOM 233 CB CYS A 15 -1.953 -1.550 2.822 1.00 0.00 C ATOM 234 SG CYS A 15 -0.768 -0.349 3.512 1.00 0.00 S ATOM 0 H CYS A 15 -4.338 -0.870 3.992 1.00 0.00 H new ATOM 0 HA CYS A 15 -2.919 -0.170 1.493 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -2.245 -2.248 3.607 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -1.454 -2.132 2.048 1.00 0.00 H new ATOM 239 N VAL A 16 -3.994 -1.980 0.213 1.00 0.00 N ATOM 240 CA VAL A 16 -4.729 -2.941 -0.587 1.00 0.00 C ATOM 241 C VAL A 16 -3.756 -3.882 -1.281 1.00 0.00 C ATOM 242 O VAL A 16 -2.892 -3.441 -2.040 1.00 0.00 O ATOM 243 CB VAL A 16 -5.601 -2.242 -1.653 1.00 0.00 C ATOM 244 CG1 VAL A 16 -6.412 -3.260 -2.444 1.00 0.00 C ATOM 245 CG2 VAL A 16 -6.515 -1.210 -1.010 1.00 0.00 C ATOM 0 H VAL A 16 -3.439 -1.319 -0.331 1.00 0.00 H new ATOM 0 HA VAL A 16 -5.383 -3.500 0.082 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.937 -1.725 -2.346 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -7.018 -2.743 -3.188 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -5.736 -3.954 -2.944 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -7.063 -3.812 -1.766 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -7.120 -0.730 -1.779 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -7.168 -1.701 -0.289 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.913 -0.458 -0.500 1.00 0.00 H new ATOM 255 N GLY A 17 -3.891 -5.169 -1.007 1.00 0.00 N ATOM 256 CA GLY A 17 -3.011 -6.149 -1.601 1.00 0.00 C ATOM 257 C GLY A 17 -3.749 -7.064 -2.549 1.00 0.00 C ATOM 258 O GLY A 17 -4.760 -7.668 -2.182 1.00 0.00 O ATOM 0 H GLY A 17 -4.598 -5.553 -0.380 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -2.210 -5.640 -2.137 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -2.543 -6.741 -0.815 1.00 0.00 H new ATOM 262 N ARG A 18 -3.251 -7.163 -3.769 1.00 0.00 N ATOM 263 CA ARG A 18 -3.871 -7.993 -4.785 1.00 0.00 C ATOM 264 C ARG A 18 -2.957 -9.163 -5.129 1.00 0.00 C ATOM 265 O ARG A 18 -2.173 -9.049 -6.091 1.00 0.00 O ATOM 266 CB ARG A 18 -4.167 -7.154 -6.033 1.00 0.00 C ATOM 267 CG ARG A 18 -4.944 -7.894 -7.111 1.00 0.00 C ATOM 268 CD ARG A 18 -6.279 -8.399 -6.589 1.00 0.00 C ATOM 269 NE ARG A 18 -7.103 -7.320 -6.048 1.00 0.00 N ATOM 270 CZ ARG A 18 -8.000 -7.485 -5.078 1.00 0.00 C ATOM 271 NH1 ARG A 18 -8.182 -8.684 -4.538 1.00 0.00 N ATOM 272 NH2 ARG A 18 -8.710 -6.453 -4.638 1.00 0.00 N ATOM 273 OXT ARG A 18 -3.007 -10.184 -4.415 1.00 0.00 O ATOM 0 H ARG A 18 -2.412 -6.674 -4.081 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.811 -8.390 -4.402 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -4.731 -6.269 -5.737 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -3.224 -6.805 -6.455 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -5.111 -7.231 -7.960 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -4.353 -8.735 -7.475 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -6.818 -8.896 -7.395 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.105 -9.145 -5.814 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.984 -6.385 -6.437 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.634 -9.480 -4.866 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -8.869 -8.810 -3.795 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -8.570 -5.528 -5.043 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -9.396 -6.586 -3.895 1.00 0.00 H new TER 287 ARG A 18