USER MOD reduce.3.24.130724 H: found=0, std=0, add=248, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 249 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 Set 1.1: A 28 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 32 THR OG1 : rot 180:sc= -1.84! USER MOD Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.0873 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.00889 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= -1.71 K(o=-1.7,f=-7.4!) USER MOD Single : A 37 THR OG1 : rot 170:sc= 0.404 USER MOD ----------------------------------------------------------------- ATOM 44 N CYS A 4 -4.473 -16.857 -13.058 1.00 0.00 N ATOM 45 CA CYS A 4 -4.595 -17.448 -11.695 1.00 0.00 C ATOM 46 C CYS A 4 -4.612 -18.974 -11.802 1.00 0.00 C ATOM 47 O CYS A 4 -4.933 -19.530 -12.834 1.00 0.00 O ATOM 48 CB CYS A 4 -5.893 -16.967 -11.044 1.00 0.00 C ATOM 49 SG CYS A 4 -7.309 -17.707 -11.897 1.00 0.00 S ATOM 0 HA CYS A 4 -3.747 -17.136 -11.086 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -5.907 -17.242 -9.989 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -5.954 -15.880 -11.091 1.00 0.00 H new ATOM 54 N ILE A 5 -4.268 -19.656 -10.744 1.00 0.00 N ATOM 55 CA ILE A 5 -4.265 -21.145 -10.787 1.00 0.00 C ATOM 56 C ILE A 5 -5.692 -21.665 -10.608 1.00 0.00 C ATOM 57 O ILE A 5 -6.142 -21.904 -9.504 1.00 0.00 O ATOM 58 CB ILE A 5 -3.380 -21.685 -9.662 1.00 0.00 C ATOM 59 CG1 ILE A 5 -1.982 -21.075 -9.773 1.00 0.00 C ATOM 60 CG2 ILE A 5 -3.281 -23.208 -9.779 1.00 0.00 C ATOM 61 CD1 ILE A 5 -1.025 -21.817 -8.837 1.00 0.00 C ATOM 0 H ILE A 5 -3.989 -19.247 -9.852 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.876 -21.480 -11.749 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.816 -21.420 -8.699 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.626 -21.141 -10.801 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -2.014 -20.017 -9.514 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.651 -23.594 -8.978 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.277 -23.644 -9.700 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.845 -23.471 -10.743 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -0.029 -21.382 -8.916 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.379 -21.728 -7.810 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.985 -22.870 -9.117 1.00 0.00 H new ATOM 73 N ALA A 6 -6.409 -21.841 -11.684 1.00 0.00 N ATOM 74 CA ALA A 6 -7.806 -22.344 -11.575 1.00 0.00 C ATOM 75 C ALA A 6 -7.792 -23.872 -11.493 1.00 0.00 C ATOM 76 O ALA A 6 -8.778 -24.494 -11.153 1.00 0.00 O ATOM 77 CB ALA A 6 -8.604 -21.907 -12.806 1.00 0.00 C ATOM 0 H ALA A 6 -6.087 -21.658 -12.634 1.00 0.00 H new ATOM 0 HA ALA A 6 -8.270 -21.935 -10.678 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.627 -22.275 -12.726 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.614 -20.819 -12.866 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.140 -22.315 -13.704 1.00 0.00 H new ATOM 83 N GLU A 7 -6.680 -24.480 -11.802 1.00 0.00 N ATOM 84 CA GLU A 7 -6.601 -25.967 -11.742 1.00 0.00 C ATOM 85 C GLU A 7 -6.587 -26.418 -10.280 1.00 0.00 C ATOM 86 O GLU A 7 -6.064 -25.742 -9.417 1.00 0.00 O ATOM 87 CB GLU A 7 -5.319 -26.438 -12.432 1.00 0.00 C ATOM 88 CG GLU A 7 -5.590 -27.750 -13.172 1.00 0.00 C ATOM 89 CD GLU A 7 -4.277 -28.300 -13.731 1.00 0.00 C ATOM 90 OE1 GLU A 7 -3.551 -28.927 -12.975 1.00 0.00 O ATOM 91 OE2 GLU A 7 -4.019 -28.087 -14.903 1.00 0.00 O ATOM 0 H GLU A 7 -5.822 -24.011 -12.094 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.465 -26.397 -12.248 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.970 -25.679 -13.132 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.528 -26.580 -11.696 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.042 -28.475 -12.495 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -6.301 -27.583 -13.981 1.00 0.00 H new ATOM 98 N ASP A 8 -7.157 -27.556 -9.994 1.00 0.00 N ATOM 99 CA ASP A 8 -7.175 -28.048 -8.588 1.00 0.00 C ATOM 100 C ASP A 8 -5.812 -28.650 -8.241 1.00 0.00 C ATOM 101 O ASP A 8 -5.220 -29.364 -9.025 1.00 0.00 O ATOM 102 CB ASP A 8 -8.259 -29.117 -8.436 1.00 0.00 C ATOM 103 CG ASP A 8 -9.630 -28.496 -8.713 1.00 0.00 C ATOM 104 OD1 ASP A 8 -10.003 -27.587 -7.988 1.00 0.00 O ATOM 105 OD2 ASP A 8 -10.283 -28.939 -9.643 1.00 0.00 O ATOM 0 H ASP A 8 -7.611 -28.166 -10.673 1.00 0.00 H new ATOM 0 HA ASP A 8 -7.387 -27.217 -7.915 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -8.074 -29.939 -9.128 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -8.234 -29.535 -7.430 1.00 0.00 H new ATOM 110 N TYR A 9 -5.308 -28.364 -7.071 1.00 0.00 N ATOM 111 CA TYR A 9 -3.984 -28.919 -6.674 1.00 0.00 C ATOM 112 C TYR A 9 -2.908 -28.416 -7.639 1.00 0.00 C ATOM 113 O TYR A 9 -1.800 -28.913 -7.662 1.00 0.00 O ATOM 114 CB TYR A 9 -4.034 -30.448 -6.723 1.00 0.00 C ATOM 115 CG TYR A 9 -4.979 -30.961 -5.636 1.00 0.00 C ATOM 116 CD1 TYR A 9 -6.344 -30.828 -5.776 1.00 0.00 C ATOM 117 CD2 TYR A 9 -4.477 -31.565 -4.500 1.00 0.00 C ATOM 118 CE1 TYR A 9 -7.197 -31.292 -4.796 1.00 0.00 C ATOM 119 CE2 TYR A 9 -5.331 -32.028 -3.520 1.00 0.00 C ATOM 120 CZ TYR A 9 -6.698 -31.896 -3.661 1.00 0.00 C ATOM 121 OH TYR A 9 -7.550 -32.360 -2.680 1.00 0.00 O ATOM 0 H TYR A 9 -5.756 -27.770 -6.374 1.00 0.00 H new ATOM 0 HA TYR A 9 -3.746 -28.594 -5.661 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.375 -30.780 -7.703 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.036 -30.860 -6.576 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -6.749 -30.357 -6.660 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.410 -31.676 -4.378 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -8.264 -31.181 -4.919 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -4.927 -32.498 -2.635 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.026 -32.757 -1.953 1.00 0.00 H new ATOM 131 N GLY A 10 -3.225 -27.431 -8.435 1.00 0.00 N ATOM 132 CA GLY A 10 -2.219 -26.898 -9.396 1.00 0.00 C ATOM 133 C GLY A 10 -0.996 -26.398 -8.626 1.00 0.00 C ATOM 134 O GLY A 10 -1.111 -25.636 -7.686 1.00 0.00 O ATOM 0 H GLY A 10 -4.136 -26.973 -8.461 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.926 -27.676 -10.101 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.652 -26.086 -9.980 1.00 0.00 H new ATOM 138 N LYS A 11 0.176 -26.819 -9.015 1.00 0.00 N ATOM 139 CA LYS A 11 1.405 -26.367 -8.305 1.00 0.00 C ATOM 140 C LYS A 11 1.362 -24.846 -8.131 1.00 0.00 C ATOM 141 O LYS A 11 0.996 -24.119 -9.033 1.00 0.00 O ATOM 142 CB LYS A 11 2.638 -26.753 -9.124 1.00 0.00 C ATOM 143 CG LYS A 11 2.538 -26.134 -10.521 1.00 0.00 C ATOM 144 CD LYS A 11 2.577 -27.243 -11.575 1.00 0.00 C ATOM 145 CE LYS A 11 3.526 -26.839 -12.706 1.00 0.00 C ATOM 146 NZ LYS A 11 3.907 -28.047 -13.490 1.00 0.00 N ATOM 0 H LYS A 11 0.335 -27.457 -9.795 1.00 0.00 H new ATOM 0 HA LYS A 11 1.456 -26.844 -7.326 1.00 0.00 H new ATOM 0 HB2 LYS A 11 3.543 -26.406 -8.625 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.712 -27.838 -9.200 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.614 -25.563 -10.612 1.00 0.00 H new ATOM 0 HG3 LYS A 11 3.360 -25.437 -10.681 1.00 0.00 H new ATOM 0 HD2 LYS A 11 2.910 -28.177 -11.123 1.00 0.00 H new ATOM 0 HD3 LYS A 11 1.577 -27.419 -11.971 1.00 0.00 H new ATOM 0 HE2 LYS A 11 3.045 -26.108 -13.355 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.416 -26.363 -12.295 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 4.552 -27.773 -14.259 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.382 -28.730 -12.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 3.053 -28.483 -13.893 1.00 0.00 H new ATOM 160 N CYS A 12 1.732 -24.360 -6.977 1.00 0.00 N ATOM 161 CA CYS A 12 1.712 -22.887 -6.748 1.00 0.00 C ATOM 162 C CYS A 12 3.000 -22.458 -6.046 1.00 0.00 C ATOM 163 O CYS A 12 3.937 -23.220 -5.923 1.00 0.00 O ATOM 164 CB CYS A 12 0.513 -22.522 -5.870 1.00 0.00 C ATOM 165 SG CYS A 12 0.650 -23.372 -4.278 1.00 0.00 S ATOM 0 H CYS A 12 2.047 -24.919 -6.184 1.00 0.00 H new ATOM 0 HA CYS A 12 1.633 -22.376 -7.707 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.476 -21.443 -5.717 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -0.415 -22.805 -6.367 1.00 0.00 H new ATOM 170 N THR A 13 3.050 -21.240 -5.585 1.00 0.00 N ATOM 171 CA THR A 13 4.274 -20.753 -4.889 1.00 0.00 C ATOM 172 C THR A 13 3.880 -19.746 -3.807 1.00 0.00 C ATOM 173 O THR A 13 3.058 -18.877 -4.024 1.00 0.00 O ATOM 174 CB THR A 13 5.201 -20.075 -5.902 1.00 0.00 C ATOM 175 OG1 THR A 13 4.893 -20.543 -7.209 1.00 0.00 O ATOM 176 CG2 THR A 13 6.656 -20.407 -5.568 1.00 0.00 C ATOM 0 H THR A 13 2.295 -20.559 -5.660 1.00 0.00 H new ATOM 0 HA THR A 13 4.790 -21.596 -4.430 1.00 0.00 H new ATOM 0 HB THR A 13 5.060 -18.995 -5.859 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.484 -20.109 -7.859 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.314 -19.924 -6.290 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.890 -20.048 -4.566 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.802 -21.486 -5.610 1.00 0.00 H new ATOM 184 N TRP A 14 4.457 -19.855 -2.642 1.00 0.00 N ATOM 185 CA TRP A 14 4.114 -18.902 -1.548 1.00 0.00 C ATOM 186 C TRP A 14 4.585 -17.497 -1.928 1.00 0.00 C ATOM 187 O TRP A 14 5.679 -17.088 -1.596 1.00 0.00 O ATOM 188 CB TRP A 14 4.804 -19.340 -0.254 1.00 0.00 C ATOM 189 CG TRP A 14 3.838 -20.186 0.578 1.00 0.00 C ATOM 190 CD1 TRP A 14 2.726 -20.774 0.107 1.00 0.00 C ATOM 191 CD2 TRP A 14 3.976 -20.446 1.876 1.00 0.00 C ATOM 192 NE1 TRP A 14 2.218 -21.388 1.178 1.00 0.00 N ATOM 193 CE2 TRP A 14 2.933 -21.236 2.321 1.00 0.00 C ATOM 194 CE3 TRP A 14 4.963 -20.047 2.753 1.00 0.00 C ATOM 195 CZ2 TRP A 14 2.880 -21.626 3.644 1.00 0.00 C ATOM 196 CZ3 TRP A 14 4.910 -20.437 4.076 1.00 0.00 C ATOM 197 CH2 TRP A 14 3.868 -21.226 4.521 1.00 0.00 C ATOM 0 H TRP A 14 5.151 -20.562 -2.400 1.00 0.00 H new ATOM 0 HA TRP A 14 3.034 -18.894 -1.399 1.00 0.00 H new ATOM 0 HB2 TRP A 14 5.701 -19.914 -0.484 1.00 0.00 H new ATOM 0 HB3 TRP A 14 5.122 -18.466 0.315 1.00 0.00 H new ATOM 0 HD1 TRP A 14 2.335 -20.755 -0.900 1.00 0.00 H new ATOM 0 HE1 TRP A 14 1.356 -21.931 1.140 1.00 0.00 H new ATOM 0 HE3 TRP A 14 5.777 -19.429 2.404 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 2.066 -22.244 3.993 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 5.683 -20.125 4.763 1.00 0.00 H new ATOM 0 HH2 TRP A 14 3.826 -21.531 5.556 1.00 0.00 H new ATOM 208 N GLY A 15 3.766 -16.755 -2.622 1.00 0.00 N ATOM 209 CA GLY A 15 4.167 -15.377 -3.023 1.00 0.00 C ATOM 210 C GLY A 15 4.403 -15.335 -4.534 1.00 0.00 C ATOM 211 O GLY A 15 5.329 -14.711 -5.011 1.00 0.00 O ATOM 0 H GLY A 15 2.837 -17.043 -2.929 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.390 -14.665 -2.745 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.073 -15.082 -2.494 1.00 0.00 H new ATOM 215 N GLY A 16 3.572 -15.998 -5.290 1.00 0.00 N ATOM 216 CA GLY A 16 3.748 -15.996 -6.769 1.00 0.00 C ATOM 217 C GLY A 16 2.378 -16.087 -7.444 1.00 0.00 C ATOM 218 O GLY A 16 1.513 -15.261 -7.229 1.00 0.00 O ATOM 0 H GLY A 16 2.779 -16.541 -4.948 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.261 -15.087 -7.084 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.372 -16.836 -7.073 1.00 0.00 H new ATOM 222 N THR A 17 2.172 -17.085 -8.260 1.00 0.00 N ATOM 223 CA THR A 17 0.857 -17.224 -8.947 1.00 0.00 C ATOM 224 C THR A 17 -0.242 -17.437 -7.903 1.00 0.00 C ATOM 225 O THR A 17 -0.540 -18.550 -7.519 1.00 0.00 O ATOM 226 CB THR A 17 0.900 -18.428 -9.892 1.00 0.00 C ATOM 227 OG1 THR A 17 2.120 -18.413 -10.620 1.00 0.00 O ATOM 228 CG2 THR A 17 -0.278 -18.357 -10.864 1.00 0.00 C ATOM 0 H THR A 17 2.856 -17.809 -8.480 1.00 0.00 H new ATOM 0 HA THR A 17 0.648 -16.320 -9.518 1.00 0.00 H new ATOM 0 HB THR A 17 0.834 -19.349 -9.312 1.00 0.00 H new ATOM 0 HG1 THR A 17 2.150 -19.184 -11.224 1.00 0.00 H new ATOM 0 HG21 THR A 17 -0.247 -19.214 -11.537 1.00 0.00 H new ATOM 0 HG22 THR A 17 -1.213 -18.369 -10.304 1.00 0.00 H new ATOM 0 HG23 THR A 17 -0.215 -17.437 -11.445 1.00 0.00 H new ATOM 236 N LYS A 18 -0.846 -16.377 -7.441 1.00 0.00 N ATOM 237 CA LYS A 18 -1.924 -16.519 -6.423 1.00 0.00 C ATOM 238 C LYS A 18 -3.070 -17.353 -7.016 1.00 0.00 C ATOM 239 O LYS A 18 -3.318 -17.325 -8.204 1.00 0.00 O ATOM 240 CB LYS A 18 -2.406 -15.111 -6.001 1.00 0.00 C ATOM 241 CG LYS A 18 -3.899 -14.911 -6.299 1.00 0.00 C ATOM 242 CD LYS A 18 -4.245 -13.424 -6.194 1.00 0.00 C ATOM 243 CE LYS A 18 -4.969 -12.980 -7.468 1.00 0.00 C ATOM 244 NZ LYS A 18 -4.446 -11.653 -7.898 1.00 0.00 N ATOM 0 H LYS A 18 -0.640 -15.419 -7.724 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.553 -17.034 -5.537 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.225 -14.968 -4.936 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -1.825 -14.354 -6.528 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.134 -15.281 -7.297 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.501 -15.486 -5.596 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -4.876 -13.247 -5.323 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.337 -12.837 -6.055 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -4.820 -13.715 -8.259 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -6.042 -12.919 -7.287 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.937 -11.350 -8.763 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -4.609 -10.955 -7.145 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -3.426 -11.726 -8.086 1.00 0.00 H new ATOM 258 N CYS A 19 -3.766 -18.092 -6.195 1.00 0.00 N ATOM 259 CA CYS A 19 -4.889 -18.923 -6.710 1.00 0.00 C ATOM 260 C CYS A 19 -6.107 -18.033 -6.966 1.00 0.00 C ATOM 261 O CYS A 19 -6.327 -17.054 -6.280 1.00 0.00 O ATOM 262 CB CYS A 19 -5.248 -19.994 -5.677 1.00 0.00 C ATOM 263 SG CYS A 19 -5.775 -21.503 -6.528 1.00 0.00 S ATOM 0 H CYS A 19 -3.605 -18.155 -5.190 1.00 0.00 H new ATOM 0 HA CYS A 19 -4.588 -19.403 -7.641 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -4.388 -20.204 -5.041 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -6.045 -19.634 -5.026 1.00 0.00 H new ATOM 268 N CYS A 20 -6.900 -18.363 -7.948 1.00 0.00 N ATOM 269 CA CYS A 20 -8.102 -17.534 -8.246 1.00 0.00 C ATOM 270 C CYS A 20 -8.971 -17.429 -6.990 1.00 0.00 C ATOM 271 O CYS A 20 -9.117 -18.378 -6.245 1.00 0.00 O ATOM 272 CB CYS A 20 -8.907 -18.187 -9.371 1.00 0.00 C ATOM 273 SG CYS A 20 -8.907 -17.101 -10.820 1.00 0.00 S ATOM 0 H CYS A 20 -6.768 -19.171 -8.557 1.00 0.00 H new ATOM 0 HA CYS A 20 -7.789 -16.537 -8.557 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.475 -19.154 -9.628 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -9.929 -18.372 -9.041 1.00 0.00 H new ATOM 278 N ARG A 21 -9.546 -16.283 -6.750 1.00 0.00 N ATOM 279 CA ARG A 21 -10.405 -16.122 -5.542 1.00 0.00 C ATOM 280 C ARG A 21 -9.522 -16.074 -4.293 1.00 0.00 C ATOM 281 O ARG A 21 -10.003 -16.138 -3.179 1.00 0.00 O ATOM 282 CB ARG A 21 -11.371 -17.303 -5.440 1.00 0.00 C ATOM 283 CG ARG A 21 -11.935 -17.621 -6.826 1.00 0.00 C ATOM 284 CD ARG A 21 -13.401 -18.040 -6.697 1.00 0.00 C ATOM 285 NE ARG A 21 -13.985 -18.227 -8.055 1.00 0.00 N ATOM 286 CZ ARG A 21 -14.376 -17.192 -8.745 1.00 0.00 C ATOM 287 NH1 ARG A 21 -13.497 -16.437 -9.344 1.00 0.00 N ATOM 288 NH2 ARG A 21 -15.648 -16.911 -8.837 1.00 0.00 N ATOM 0 H ARG A 21 -9.459 -15.453 -7.336 1.00 0.00 H new ATOM 0 HA ARG A 21 -10.974 -15.196 -5.621 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -10.856 -18.175 -5.037 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -12.182 -17.065 -4.751 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -11.851 -16.748 -7.473 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -11.357 -18.420 -7.291 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.477 -18.965 -6.126 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -13.961 -17.281 -6.150 1.00 0.00 H new ATOM 0 HE ARG A 21 -14.079 -19.165 -8.445 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -12.503 -16.656 -9.273 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.803 -15.627 -9.884 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -16.336 -17.501 -8.369 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -15.954 -16.101 -9.377 1.00 0.00 H new ATOM 302 N GLY A 22 -8.234 -15.963 -4.469 1.00 0.00 N ATOM 303 CA GLY A 22 -7.322 -15.912 -3.292 1.00 0.00 C ATOM 304 C GLY A 22 -7.555 -17.141 -2.411 1.00 0.00 C ATOM 305 O GLY A 22 -8.385 -17.132 -1.524 1.00 0.00 O ATOM 0 H GLY A 22 -7.774 -15.905 -5.377 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -6.284 -15.881 -3.624 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -7.501 -15.002 -2.719 1.00 0.00 H new ATOM 309 N ARG A 23 -6.829 -18.199 -2.649 1.00 0.00 N ATOM 310 CA ARG A 23 -7.010 -19.427 -1.825 1.00 0.00 C ATOM 311 C ARG A 23 -5.649 -19.890 -1.295 1.00 0.00 C ATOM 312 O ARG A 23 -4.635 -19.688 -1.934 1.00 0.00 O ATOM 313 CB ARG A 23 -7.625 -20.532 -2.685 1.00 0.00 C ATOM 314 CG ARG A 23 -8.799 -19.962 -3.485 1.00 0.00 C ATOM 315 CD ARG A 23 -9.924 -19.567 -2.527 1.00 0.00 C ATOM 316 NE ARG A 23 -10.532 -20.794 -1.941 1.00 0.00 N ATOM 317 CZ ARG A 23 -11.210 -20.719 -0.828 1.00 0.00 C ATOM 318 NH1 ARG A 23 -12.119 -19.794 -0.679 1.00 0.00 N ATOM 319 NH2 ARG A 23 -10.979 -21.568 0.136 1.00 0.00 N ATOM 0 H ARG A 23 -6.119 -18.266 -3.378 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.672 -19.209 -0.987 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -6.875 -20.941 -3.361 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.966 -21.352 -2.053 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -8.474 -19.094 -4.059 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -9.159 -20.702 -4.200 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.534 -18.928 -1.735 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.682 -18.991 -3.057 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.419 -21.693 -2.409 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.299 -19.130 -1.432 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -12.649 -19.735 0.191 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -10.268 -22.290 0.020 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -11.509 -21.509 1.005 1.00 0.00 H new ATOM 333 N PRO A 24 -5.670 -20.502 -0.137 1.00 0.00 N ATOM 334 CA PRO A 24 -4.444 -21.007 0.506 1.00 0.00 C ATOM 335 C PRO A 24 -3.781 -22.064 -0.381 1.00 0.00 C ATOM 336 O PRO A 24 -4.326 -22.477 -1.385 1.00 0.00 O ATOM 337 CB PRO A 24 -4.921 -21.632 1.825 1.00 0.00 C ATOM 338 CG PRO A 24 -6.463 -21.475 1.891 1.00 0.00 C ATOM 339 CD PRO A 24 -6.913 -20.737 0.620 1.00 0.00 C ATOM 0 HA PRO A 24 -3.706 -20.222 0.669 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -4.641 -22.684 1.873 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.450 -21.138 2.675 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.944 -22.451 1.957 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.753 -20.916 2.781 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.620 -21.335 0.045 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.412 -19.799 0.863 1.00 0.00 H new ATOM 347 N CYS A 25 -2.607 -22.506 -0.018 1.00 0.00 N ATOM 348 CA CYS A 25 -1.914 -23.536 -0.841 1.00 0.00 C ATOM 349 C CYS A 25 -1.280 -24.581 0.079 1.00 0.00 C ATOM 350 O CYS A 25 -0.259 -24.345 0.694 1.00 0.00 O ATOM 351 CB CYS A 25 -0.826 -22.869 -1.685 1.00 0.00 C ATOM 352 SG CYS A 25 -1.173 -23.147 -3.439 1.00 0.00 S ATOM 0 H CYS A 25 -2.099 -22.198 0.812 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.635 -24.021 -1.499 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.791 -21.800 -1.475 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.151 -23.277 -1.427 1.00 0.00 H new ATOM 357 N ARG A 26 -1.878 -25.736 0.178 1.00 0.00 N ATOM 358 CA ARG A 26 -1.313 -26.798 1.058 1.00 0.00 C ATOM 359 C ARG A 26 0.157 -27.030 0.699 1.00 0.00 C ATOM 360 O ARG A 26 0.545 -26.963 -0.450 1.00 0.00 O ATOM 361 CB ARG A 26 -2.101 -28.095 0.857 1.00 0.00 C ATOM 362 CG ARG A 26 -1.341 -29.262 1.490 1.00 0.00 C ATOM 363 CD ARG A 26 -0.482 -29.947 0.426 1.00 0.00 C ATOM 364 NE ARG A 26 -0.190 -31.346 0.847 1.00 0.00 N ATOM 365 CZ ARG A 26 0.921 -31.921 0.476 1.00 0.00 C ATOM 366 NH1 ARG A 26 1.007 -32.476 -0.702 1.00 0.00 N ATOM 367 NH2 ARG A 26 1.947 -31.941 1.282 1.00 0.00 N ATOM 0 H ARG A 26 -2.735 -25.991 -0.313 1.00 0.00 H new ATOM 0 HA ARG A 26 -1.385 -26.486 2.100 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -3.090 -28.005 1.307 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.251 -28.280 -0.207 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.712 -28.902 2.304 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -2.043 -29.976 1.921 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -1.002 -29.945 -0.532 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.448 -29.397 0.285 1.00 0.00 H new ATOM 0 HE ARG A 26 -0.859 -31.854 1.425 1.00 0.00 H new ATOM 0 HH11 ARG A 26 0.206 -32.460 -1.333 1.00 0.00 H new ATOM 0 HH12 ARG A 26 1.876 -32.925 -0.992 1.00 0.00 H new ATOM 0 HH21 ARG A 26 1.881 -31.507 2.203 1.00 0.00 H new ATOM 0 HH22 ARG A 26 2.815 -32.391 0.991 1.00 0.00 H new ATOM 381 N CYS A 27 0.979 -27.303 1.676 1.00 0.00 N ATOM 382 CA CYS A 27 2.422 -27.540 1.393 1.00 0.00 C ATOM 383 C CYS A 27 2.954 -28.620 2.337 1.00 0.00 C ATOM 384 O CYS A 27 2.252 -29.101 3.203 1.00 0.00 O ATOM 385 CB CYS A 27 3.204 -26.242 1.610 1.00 0.00 C ATOM 386 SG CYS A 27 2.527 -24.944 0.547 1.00 0.00 S ATOM 0 H CYS A 27 0.713 -27.372 2.658 1.00 0.00 H new ATOM 0 HA CYS A 27 2.542 -27.868 0.360 1.00 0.00 H new ATOM 0 HB2 CYS A 27 3.143 -25.939 2.655 1.00 0.00 H new ATOM 0 HB3 CYS A 27 4.259 -26.398 1.384 1.00 0.00 H new ATOM 391 N SER A 28 4.190 -29.006 2.174 1.00 0.00 N ATOM 392 CA SER A 28 4.764 -30.056 3.063 1.00 0.00 C ATOM 393 C SER A 28 5.241 -29.415 4.367 1.00 0.00 C ATOM 394 O SER A 28 4.494 -29.287 5.317 1.00 0.00 O ATOM 395 CB SER A 28 5.945 -30.729 2.361 1.00 0.00 C ATOM 396 OG SER A 28 5.462 -31.701 1.446 1.00 0.00 O ATOM 0 H SER A 28 4.826 -28.641 1.465 1.00 0.00 H new ATOM 0 HA SER A 28 4.001 -30.802 3.284 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.541 -29.984 1.835 1.00 0.00 H new ATOM 0 HB3 SER A 28 6.598 -31.199 3.096 1.00 0.00 H new ATOM 0 HG SER A 28 6.219 -32.131 0.995 1.00 0.00 H new ATOM 402 N MET A 29 6.481 -29.009 4.421 1.00 0.00 N ATOM 403 CA MET A 29 7.003 -28.376 5.665 1.00 0.00 C ATOM 404 C MET A 29 7.361 -26.916 5.382 1.00 0.00 C ATOM 405 O MET A 29 6.580 -26.018 5.628 1.00 0.00 O ATOM 406 CB MET A 29 8.251 -29.128 6.135 1.00 0.00 C ATOM 407 CG MET A 29 7.928 -29.898 7.417 1.00 0.00 C ATOM 408 SD MET A 29 8.046 -31.675 7.101 1.00 0.00 S ATOM 409 CE MET A 29 7.484 -32.236 8.727 1.00 0.00 C ATOM 0 H MET A 29 7.154 -29.088 3.658 1.00 0.00 H new ATOM 0 HA MET A 29 6.240 -28.418 6.443 1.00 0.00 H new ATOM 0 HB2 MET A 29 8.588 -29.816 5.360 1.00 0.00 H new ATOM 0 HB3 MET A 29 9.066 -28.426 6.315 1.00 0.00 H new ATOM 0 HG2 MET A 29 8.620 -29.612 8.209 1.00 0.00 H new ATOM 0 HG3 MET A 29 6.926 -29.645 7.763 1.00 0.00 H new ATOM 0 HE1 MET A 29 7.480 -33.326 8.754 1.00 0.00 H new ATOM 0 HE2 MET A 29 8.157 -31.856 9.496 1.00 0.00 H new ATOM 0 HE3 MET A 29 6.476 -31.864 8.912 1.00 0.00 H new ATOM 419 N ILE A 30 8.534 -26.670 4.868 1.00 0.00 N ATOM 420 CA ILE A 30 8.937 -25.266 4.572 1.00 0.00 C ATOM 421 C ILE A 30 8.311 -24.823 3.249 1.00 0.00 C ATOM 422 O ILE A 30 8.021 -23.661 3.046 1.00 0.00 O ATOM 423 CB ILE A 30 10.462 -25.181 4.470 1.00 0.00 C ATOM 424 CG1 ILE A 30 10.958 -26.160 3.403 1.00 0.00 C ATOM 425 CG2 ILE A 30 11.085 -25.540 5.820 1.00 0.00 C ATOM 426 CD1 ILE A 30 11.312 -25.390 2.130 1.00 0.00 C ATOM 0 H ILE A 30 9.231 -27.379 4.640 1.00 0.00 H new ATOM 0 HA ILE A 30 8.591 -24.613 5.374 1.00 0.00 H new ATOM 0 HB ILE A 30 10.751 -24.167 4.195 1.00 0.00 H new ATOM 0 HG12 ILE A 30 11.831 -26.701 3.768 1.00 0.00 H new ATOM 0 HG13 ILE A 30 10.189 -26.902 3.190 1.00 0.00 H new ATOM 0 HG21 ILE A 30 12.171 -25.479 5.747 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.733 -24.843 6.580 1.00 0.00 H new ATOM 0 HG23 ILE A 30 10.796 -26.554 6.096 1.00 0.00 H new ATOM 0 HD11 ILE A 30 11.665 -26.087 1.370 1.00 0.00 H new ATOM 0 HD12 ILE A 30 10.428 -24.869 1.762 1.00 0.00 H new ATOM 0 HD13 ILE A 30 12.095 -24.665 2.350 1.00 0.00 H new ATOM 438 N GLY A 31 8.101 -25.741 2.345 1.00 0.00 N ATOM 439 CA GLY A 31 7.493 -25.371 1.036 1.00 0.00 C ATOM 440 C GLY A 31 8.173 -26.160 -0.085 1.00 0.00 C ATOM 441 O GLY A 31 9.001 -25.641 -0.808 1.00 0.00 O ATOM 0 H GLY A 31 8.324 -26.730 2.456 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.424 -25.583 1.047 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.604 -24.301 0.861 1.00 0.00 H new ATOM 445 N THR A 32 7.832 -27.410 -0.234 1.00 0.00 N ATOM 446 CA THR A 32 8.461 -28.231 -1.308 1.00 0.00 C ATOM 447 C THR A 32 7.494 -28.347 -2.489 1.00 0.00 C ATOM 448 O THR A 32 7.778 -27.898 -3.583 1.00 0.00 O ATOM 449 CB THR A 32 8.777 -29.627 -0.767 1.00 0.00 C ATOM 450 OG1 THR A 32 8.145 -29.797 0.494 1.00 0.00 O ATOM 451 CG2 THR A 32 10.289 -29.786 -0.610 1.00 0.00 C ATOM 0 H THR A 32 7.146 -27.899 0.341 1.00 0.00 H new ATOM 0 HA THR A 32 9.384 -27.754 -1.638 1.00 0.00 H new ATOM 0 HB THR A 32 8.408 -30.380 -1.463 1.00 0.00 H new ATOM 0 HG1 THR A 32 8.344 -30.691 0.842 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.512 -30.781 -0.225 1.00 0.00 H new ATOM 0 HG22 THR A 32 10.771 -29.656 -1.579 1.00 0.00 H new ATOM 0 HG23 THR A 32 10.664 -29.035 0.086 1.00 0.00 H new ATOM 459 N ASN A 33 6.354 -28.948 -2.279 1.00 0.00 N ATOM 460 CA ASN A 33 5.372 -29.093 -3.389 1.00 0.00 C ATOM 461 C ASN A 33 4.026 -28.504 -2.958 1.00 0.00 C ATOM 462 O ASN A 33 3.147 -29.208 -2.504 1.00 0.00 O ATOM 463 CB ASN A 33 5.196 -30.576 -3.724 1.00 0.00 C ATOM 464 CG ASN A 33 4.329 -30.716 -4.978 1.00 0.00 C ATOM 465 OD1 ASN A 33 3.472 -29.893 -5.233 1.00 0.00 O ATOM 466 ND2 ASN A 33 4.517 -31.730 -5.776 1.00 0.00 N ATOM 0 H ASN A 33 6.061 -29.345 -1.386 1.00 0.00 H new ATOM 0 HA ASN A 33 5.736 -28.563 -4.269 1.00 0.00 H new ATOM 0 HB2 ASN A 33 6.168 -31.041 -3.887 1.00 0.00 H new ATOM 0 HB3 ASN A 33 4.730 -31.096 -2.887 1.00 0.00 H new ATOM 0 HD21 ASN A 33 3.945 -31.832 -6.614 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.236 -32.421 -5.562 1.00 0.00 H new ATOM 473 N CYS A 34 3.860 -27.217 -3.096 1.00 0.00 N ATOM 474 CA CYS A 34 2.572 -26.586 -2.693 1.00 0.00 C ATOM 475 C CYS A 34 1.536 -26.789 -3.800 1.00 0.00 C ATOM 476 O CYS A 34 1.859 -26.812 -4.971 1.00 0.00 O ATOM 477 CB CYS A 34 2.788 -25.088 -2.465 1.00 0.00 C ATOM 478 SG CYS A 34 3.823 -24.844 -1.000 1.00 0.00 S ATOM 0 H CYS A 34 4.560 -26.576 -3.470 1.00 0.00 H new ATOM 0 HA CYS A 34 2.214 -27.046 -1.772 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.264 -24.641 -3.338 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.829 -24.587 -2.333 1.00 0.00 H new ATOM 483 N GLU A 35 0.291 -26.938 -3.438 1.00 0.00 N ATOM 484 CA GLU A 35 -0.767 -27.141 -4.468 1.00 0.00 C ATOM 485 C GLU A 35 -2.049 -26.434 -4.026 1.00 0.00 C ATOM 486 O GLU A 35 -2.619 -26.746 -3.000 1.00 0.00 O ATOM 487 CB GLU A 35 -1.041 -28.637 -4.630 1.00 0.00 C ATOM 488 CG GLU A 35 0.144 -29.302 -5.333 1.00 0.00 C ATOM 489 CD GLU A 35 0.801 -30.307 -4.385 1.00 0.00 C ATOM 490 OE1 GLU A 35 1.058 -29.940 -3.250 1.00 0.00 O ATOM 491 OE2 GLU A 35 1.037 -31.426 -4.809 1.00 0.00 O ATOM 0 H GLU A 35 -0.039 -26.928 -2.473 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.432 -26.728 -5.419 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.202 -29.095 -3.654 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.952 -28.790 -5.208 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -0.193 -29.807 -6.238 1.00 0.00 H new ATOM 0 HG3 GLU A 35 0.869 -28.548 -5.640 1.00 0.00 H new ATOM 498 N CYS A 36 -2.509 -25.483 -4.792 1.00 0.00 N ATOM 499 CA CYS A 36 -3.754 -24.759 -4.413 1.00 0.00 C ATOM 500 C CYS A 36 -4.821 -25.774 -3.993 1.00 0.00 C ATOM 501 O CYS A 36 -5.304 -26.547 -4.796 1.00 0.00 O ATOM 502 CB CYS A 36 -4.257 -23.952 -5.611 1.00 0.00 C ATOM 503 SG CYS A 36 -5.668 -22.935 -5.109 1.00 0.00 S ATOM 0 H CYS A 36 -2.076 -25.177 -5.663 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.548 -24.083 -3.583 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.458 -23.319 -5.997 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -4.549 -24.624 -6.418 1.00 0.00 H new ATOM 508 N THR A 37 -5.192 -25.778 -2.742 1.00 0.00 N ATOM 509 CA THR A 37 -6.227 -26.745 -2.277 1.00 0.00 C ATOM 510 C THR A 37 -7.612 -26.089 -2.352 1.00 0.00 C ATOM 511 O THR A 37 -7.788 -24.978 -1.894 1.00 0.00 O ATOM 512 CB THR A 37 -5.935 -27.144 -0.828 1.00 0.00 C ATOM 513 OG1 THR A 37 -4.719 -26.539 -0.409 1.00 0.00 O ATOM 514 CG2 THR A 37 -5.812 -28.664 -0.729 1.00 0.00 C ATOM 0 H THR A 37 -4.824 -25.155 -2.023 1.00 0.00 H new ATOM 0 HA THR A 37 -6.208 -27.630 -2.913 1.00 0.00 H new ATOM 0 HB THR A 37 -6.749 -26.807 -0.187 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.611 -26.658 0.558 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.604 -28.946 0.303 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.745 -29.126 -1.050 1.00 0.00 H new ATOM 0 HG23 THR A 37 -4.999 -29.006 -1.369 1.00 0.00 H new ATOM 522 N PRO A 38 -8.558 -26.793 -2.927 1.00 0.00 N ATOM 523 CA PRO A 38 -9.934 -26.285 -3.066 1.00 0.00 C ATOM 524 C PRO A 38 -10.561 -26.089 -1.684 1.00 0.00 C ATOM 525 O PRO A 38 -9.890 -26.149 -0.673 1.00 0.00 O ATOM 526 CB PRO A 38 -10.681 -27.378 -3.843 1.00 0.00 C ATOM 527 CG PRO A 38 -9.687 -28.541 -4.093 1.00 0.00 C ATOM 528 CD PRO A 38 -8.333 -28.138 -3.490 1.00 0.00 C ATOM 0 HA PRO A 38 -9.973 -25.322 -3.575 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.544 -27.728 -3.277 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.057 -26.986 -4.788 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.051 -29.460 -3.634 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -9.587 -28.735 -5.161 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -8.018 -28.842 -2.720 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.550 -28.124 -4.249 1.00 0.00 H new ATOM 536 N ARG A 39 -11.842 -25.855 -1.632 1.00 0.00 N ATOM 537 CA ARG A 39 -12.510 -25.655 -0.316 1.00 0.00 C ATOM 538 C ARG A 39 -12.022 -26.720 0.669 1.00 0.00 C ATOM 539 O ARG A 39 -12.283 -27.894 0.508 1.00 0.00 O ATOM 540 CB ARG A 39 -14.026 -25.778 -0.487 1.00 0.00 C ATOM 541 CG ARG A 39 -14.339 -26.920 -1.456 1.00 0.00 C ATOM 542 CD ARG A 39 -15.755 -27.438 -1.193 1.00 0.00 C ATOM 543 NE ARG A 39 -15.681 -28.814 -0.624 1.00 0.00 N ATOM 544 CZ ARG A 39 -15.531 -29.841 -1.416 1.00 0.00 C ATOM 545 NH1 ARG A 39 -16.320 -29.993 -2.444 1.00 0.00 N ATOM 546 NH2 ARG A 39 -14.592 -30.716 -1.179 1.00 0.00 N ATOM 0 H ARG A 39 -12.456 -25.794 -2.444 1.00 0.00 H new ATOM 0 HA ARG A 39 -12.267 -24.664 0.067 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -14.497 -25.966 0.478 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -14.437 -24.842 -0.866 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -14.253 -26.572 -2.485 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -13.616 -27.726 -1.331 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -16.274 -26.774 -0.502 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -16.329 -27.446 -2.119 1.00 0.00 H new ATOM 0 HE ARG A 39 -15.748 -28.953 0.384 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -17.054 -29.309 -2.629 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -16.203 -30.795 -3.063 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -13.976 -30.597 -0.375 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -14.475 -31.518 -1.798 1.00 0.00 H new