USER MOD reduce.3.24.130724 H: found=0, std=0, add=248, rem=0, adj=8 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 Single : A 9 TYR OH : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 149:sc= -0.0773 (180deg=-0.525) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ -121:sc= -0.0995 (180deg=-0.515) USER MOD Single : A 28 SER OG : rot 180:sc= 0.05 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 131:sc= -0.286 USER MOD Single : A 33 ASN : amide:sc= -0.653 K(o=-0.65,f=-1.2) USER MOD Single : A 37 THR OG1 : rot 170:sc= 0.0738 USER MOD ----------------------------------------------------------------- ATOM 44 N CYS A 4 -4.749 -17.543 -13.526 1.00 0.00 N ATOM 45 CA CYS A 4 -4.446 -18.118 -12.183 1.00 0.00 C ATOM 46 C CYS A 4 -4.471 -19.649 -12.254 1.00 0.00 C ATOM 47 O CYS A 4 -4.899 -20.228 -13.232 1.00 0.00 O ATOM 48 CB CYS A 4 -5.479 -17.617 -11.162 1.00 0.00 C ATOM 49 SG CYS A 4 -7.028 -18.548 -11.315 1.00 0.00 S ATOM 0 HA CYS A 4 -3.453 -17.798 -11.869 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -5.082 -17.724 -10.152 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -5.669 -16.555 -11.319 1.00 0.00 H new ATOM 54 N ILE A 5 -4.024 -20.307 -11.219 1.00 0.00 N ATOM 55 CA ILE A 5 -4.021 -21.797 -11.226 1.00 0.00 C ATOM 56 C ILE A 5 -5.428 -22.308 -10.910 1.00 0.00 C ATOM 57 O ILE A 5 -5.748 -22.615 -9.779 1.00 0.00 O ATOM 58 CB ILE A 5 -3.045 -22.310 -10.167 1.00 0.00 C ATOM 59 CG1 ILE A 5 -1.649 -21.748 -10.445 1.00 0.00 C ATOM 60 CG2 ILE A 5 -2.997 -23.839 -10.220 1.00 0.00 C ATOM 61 CD1 ILE A 5 -0.707 -22.137 -9.303 1.00 0.00 C ATOM 0 H ILE A 5 -3.661 -19.877 -10.369 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.713 -22.156 -12.208 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.376 -21.988 -9.180 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.271 -22.136 -11.391 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.694 -20.663 -10.540 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.302 -24.208 -9.466 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -3.991 -24.241 -10.025 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.664 -24.159 -11.207 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.288 -21.737 -9.500 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.084 -21.728 -8.365 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.654 -23.223 -9.229 1.00 0.00 H new ATOM 73 N ALA A 6 -6.270 -22.399 -11.901 1.00 0.00 N ATOM 74 CA ALA A 6 -7.656 -22.888 -11.659 1.00 0.00 C ATOM 75 C ALA A 6 -7.655 -24.417 -11.583 1.00 0.00 C ATOM 76 O ALA A 6 -8.694 -25.044 -11.502 1.00 0.00 O ATOM 77 CB ALA A 6 -8.561 -22.433 -12.805 1.00 0.00 C ATOM 0 H ALA A 6 -6.058 -22.156 -12.869 1.00 0.00 H new ATOM 0 HA ALA A 6 -8.026 -22.481 -10.718 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.576 -22.790 -12.631 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.563 -21.344 -12.857 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.190 -22.841 -13.745 1.00 0.00 H new ATOM 83 N GLU A 7 -6.499 -25.024 -11.610 1.00 0.00 N ATOM 84 CA GLU A 7 -6.436 -26.511 -11.538 1.00 0.00 C ATOM 85 C GLU A 7 -6.616 -26.962 -10.088 1.00 0.00 C ATOM 86 O GLU A 7 -6.505 -26.179 -9.166 1.00 0.00 O ATOM 87 CB GLU A 7 -5.078 -26.989 -12.056 1.00 0.00 C ATOM 88 CG GLU A 7 -5.285 -28.139 -13.044 1.00 0.00 C ATOM 89 CD GLU A 7 -4.038 -29.025 -13.065 1.00 0.00 C ATOM 90 OE1 GLU A 7 -3.971 -29.939 -12.259 1.00 0.00 O ATOM 91 OE2 GLU A 7 -3.171 -28.775 -13.886 1.00 0.00 O ATOM 0 H GLU A 7 -5.596 -24.554 -11.679 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.230 -26.937 -12.151 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.553 -26.167 -12.543 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.455 -27.318 -11.224 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.157 -28.727 -12.757 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -5.481 -27.745 -14.041 1.00 0.00 H new ATOM 98 N ASP A 8 -6.892 -28.221 -9.877 1.00 0.00 N ATOM 99 CA ASP A 8 -7.079 -28.719 -8.485 1.00 0.00 C ATOM 100 C ASP A 8 -5.718 -29.075 -7.880 1.00 0.00 C ATOM 101 O ASP A 8 -4.994 -29.902 -8.398 1.00 0.00 O ATOM 102 CB ASP A 8 -7.972 -29.962 -8.502 1.00 0.00 C ATOM 103 CG ASP A 8 -9.151 -29.729 -9.446 1.00 0.00 C ATOM 104 OD1 ASP A 8 -9.742 -28.663 -9.373 1.00 0.00 O ATOM 105 OD2 ASP A 8 -9.446 -30.619 -10.227 1.00 0.00 O ATOM 0 H ASP A 8 -6.996 -28.925 -10.608 1.00 0.00 H new ATOM 0 HA ASP A 8 -7.550 -27.942 -7.883 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -7.399 -30.830 -8.826 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -8.334 -30.177 -7.497 1.00 0.00 H new ATOM 110 N TYR A 9 -5.366 -28.455 -6.788 1.00 0.00 N ATOM 111 CA TYR A 9 -4.054 -28.755 -6.148 1.00 0.00 C ATOM 112 C TYR A 9 -2.922 -28.422 -7.120 1.00 0.00 C ATOM 113 O TYR A 9 -1.832 -28.949 -7.019 1.00 0.00 O ATOM 114 CB TYR A 9 -3.990 -30.239 -5.785 1.00 0.00 C ATOM 115 CG TYR A 9 -5.069 -30.555 -4.750 1.00 0.00 C ATOM 116 CD1 TYR A 9 -6.400 -30.556 -5.109 1.00 0.00 C ATOM 117 CD2 TYR A 9 -4.726 -30.845 -3.446 1.00 0.00 C ATOM 118 CE1 TYR A 9 -7.376 -30.844 -4.179 1.00 0.00 C ATOM 119 CE2 TYR A 9 -5.703 -31.134 -2.514 1.00 0.00 C ATOM 120 CZ TYR A 9 -7.035 -31.135 -2.874 1.00 0.00 C ATOM 121 OH TYR A 9 -8.012 -31.424 -1.943 1.00 0.00 O ATOM 0 H TYR A 9 -5.931 -27.753 -6.310 1.00 0.00 H new ATOM 0 HA TYR A 9 -3.947 -28.154 -5.245 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -4.136 -30.849 -6.676 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -3.006 -30.485 -5.387 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -6.680 -30.329 -6.127 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -3.687 -30.846 -3.152 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -8.415 -30.842 -4.474 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -5.423 -31.361 -1.496 1.00 0.00 H new ATOM 0 HH TYR A 9 -7.594 -31.606 -1.076 1.00 0.00 H new ATOM 131 N GLY A 10 -3.170 -27.555 -8.063 1.00 0.00 N ATOM 132 CA GLY A 10 -2.104 -27.191 -9.038 1.00 0.00 C ATOM 133 C GLY A 10 -0.843 -26.788 -8.270 1.00 0.00 C ATOM 134 O GLY A 10 -0.795 -26.870 -7.061 1.00 0.00 O ATOM 0 H GLY A 10 -4.064 -27.083 -8.200 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.891 -28.034 -9.695 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.438 -26.369 -9.671 1.00 0.00 H new ATOM 138 N LYS A 11 0.177 -26.354 -8.957 1.00 0.00 N ATOM 139 CA LYS A 11 1.426 -25.949 -8.251 1.00 0.00 C ATOM 140 C LYS A 11 1.464 -24.426 -8.115 1.00 0.00 C ATOM 141 O LYS A 11 1.328 -23.703 -9.082 1.00 0.00 O ATOM 142 CB LYS A 11 2.643 -26.423 -9.049 1.00 0.00 C ATOM 143 CG LYS A 11 2.795 -25.568 -10.309 1.00 0.00 C ATOM 144 CD LYS A 11 3.943 -26.114 -11.161 1.00 0.00 C ATOM 145 CE LYS A 11 3.731 -27.609 -11.408 1.00 0.00 C ATOM 146 NZ LYS A 11 2.367 -27.833 -11.963 1.00 0.00 N ATOM 0 H LYS A 11 0.201 -26.262 -9.973 1.00 0.00 H new ATOM 0 HA LYS A 11 1.445 -26.402 -7.260 1.00 0.00 H new ATOM 0 HB2 LYS A 11 3.542 -26.351 -8.437 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.526 -27.472 -9.321 1.00 0.00 H new ATOM 0 HG2 LYS A 11 1.867 -25.577 -10.881 1.00 0.00 H new ATOM 0 HG3 LYS A 11 2.992 -24.531 -10.036 1.00 0.00 H new ATOM 0 HD2 LYS A 11 3.990 -25.581 -12.111 1.00 0.00 H new ATOM 0 HD3 LYS A 11 4.895 -25.950 -10.656 1.00 0.00 H new ATOM 0 HE2 LYS A 11 4.483 -27.984 -12.102 1.00 0.00 H new ATOM 0 HE3 LYS A 11 3.852 -28.163 -10.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 2.380 -28.660 -12.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 1.699 -28.002 -11.184 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 2.068 -26.994 -12.499 1.00 0.00 H new ATOM 160 N CYS A 12 1.642 -23.930 -6.920 1.00 0.00 N ATOM 161 CA CYS A 12 1.687 -22.452 -6.729 1.00 0.00 C ATOM 162 C CYS A 12 3.041 -22.050 -6.145 1.00 0.00 C ATOM 163 O CYS A 12 3.957 -22.844 -6.065 1.00 0.00 O ATOM 164 CB CYS A 12 0.574 -22.023 -5.770 1.00 0.00 C ATOM 165 SG CYS A 12 0.790 -22.850 -4.174 1.00 0.00 S ATOM 0 H CYS A 12 1.758 -24.483 -6.070 1.00 0.00 H new ATOM 0 HA CYS A 12 1.546 -21.962 -7.692 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.594 -20.942 -5.636 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -0.399 -22.274 -6.192 1.00 0.00 H new ATOM 170 N THR A 13 3.173 -20.819 -5.736 1.00 0.00 N ATOM 171 CA THR A 13 4.466 -20.358 -5.156 1.00 0.00 C ATOM 172 C THR A 13 4.197 -19.304 -4.081 1.00 0.00 C ATOM 173 O THR A 13 3.138 -18.711 -4.030 1.00 0.00 O ATOM 174 CB THR A 13 5.333 -19.747 -6.262 1.00 0.00 C ATOM 175 OG1 THR A 13 5.804 -20.781 -7.116 1.00 0.00 O ATOM 176 CG2 THR A 13 6.521 -19.017 -5.636 1.00 0.00 C ATOM 0 H THR A 13 2.440 -20.111 -5.778 1.00 0.00 H new ATOM 0 HA THR A 13 4.987 -21.206 -4.711 1.00 0.00 H new ATOM 0 HB THR A 13 4.740 -19.039 -6.841 1.00 0.00 H new ATOM 0 HG1 THR A 13 6.357 -20.393 -7.825 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.137 -18.583 -6.423 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.157 -18.225 -4.981 1.00 0.00 H new ATOM 0 HG23 THR A 13 7.117 -19.722 -5.056 1.00 0.00 H new ATOM 184 N TRP A 14 5.148 -19.065 -3.220 1.00 0.00 N ATOM 185 CA TRP A 14 4.947 -18.049 -2.147 1.00 0.00 C ATOM 186 C TRP A 14 5.184 -16.649 -2.719 1.00 0.00 C ATOM 187 O TRP A 14 6.282 -16.130 -2.677 1.00 0.00 O ATOM 188 CB TRP A 14 5.936 -18.308 -1.009 1.00 0.00 C ATOM 189 CG TRP A 14 5.181 -18.824 0.217 1.00 0.00 C ATOM 190 CD1 TRP A 14 4.090 -19.608 0.177 1.00 0.00 C ATOM 191 CD2 TRP A 14 5.508 -18.564 1.481 1.00 0.00 C ATOM 192 NE1 TRP A 14 3.792 -19.798 1.464 1.00 0.00 N ATOM 193 CE2 TRP A 14 4.623 -19.183 2.344 1.00 0.00 C ATOM 194 CE3 TRP A 14 6.547 -17.807 1.985 1.00 0.00 C ATOM 195 CZ2 TRP A 14 4.780 -19.044 3.709 1.00 0.00 C ATOM 196 CZ3 TRP A 14 6.702 -17.670 3.349 1.00 0.00 C ATOM 197 CH2 TRP A 14 5.818 -18.288 4.211 1.00 0.00 C ATOM 0 H TRP A 14 6.056 -19.529 -3.213 1.00 0.00 H new ATOM 0 HA TRP A 14 3.928 -18.119 -1.767 1.00 0.00 H new ATOM 0 HB2 TRP A 14 6.684 -19.037 -1.322 1.00 0.00 H new ATOM 0 HB3 TRP A 14 6.469 -17.390 -0.761 1.00 0.00 H new ATOM 0 HD1 TRP A 14 3.576 -19.993 -0.691 1.00 0.00 H new ATOM 0 HE1 TRP A 14 2.998 -20.364 1.764 1.00 0.00 H new ATOM 0 HE3 TRP A 14 7.238 -17.322 1.312 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 4.089 -19.528 4.384 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 7.516 -17.079 3.743 1.00 0.00 H new ATOM 0 HH2 TRP A 14 5.940 -18.179 5.279 1.00 0.00 H new ATOM 208 N GLY A 15 4.164 -16.034 -3.251 1.00 0.00 N ATOM 209 CA GLY A 15 4.336 -14.668 -3.824 1.00 0.00 C ATOM 210 C GLY A 15 4.036 -14.701 -5.324 1.00 0.00 C ATOM 211 O GLY A 15 3.945 -13.676 -5.971 1.00 0.00 O ATOM 0 H GLY A 15 3.221 -16.417 -3.314 1.00 0.00 H new ATOM 0 HA2 GLY A 15 3.668 -13.966 -3.324 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.354 -14.316 -3.654 1.00 0.00 H new ATOM 215 N GLY A 16 3.881 -15.870 -5.884 1.00 0.00 N ATOM 216 CA GLY A 16 3.587 -15.965 -7.340 1.00 0.00 C ATOM 217 C GLY A 16 2.077 -16.088 -7.549 1.00 0.00 C ATOM 218 O GLY A 16 1.291 -15.612 -6.755 1.00 0.00 O ATOM 0 H GLY A 16 3.946 -16.763 -5.395 1.00 0.00 H new ATOM 0 HA2 GLY A 16 3.966 -15.083 -7.856 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.096 -16.828 -7.769 1.00 0.00 H new ATOM 222 N THR A 17 1.664 -16.725 -8.611 1.00 0.00 N ATOM 223 CA THR A 17 0.206 -16.878 -8.868 1.00 0.00 C ATOM 224 C THR A 17 -0.433 -17.677 -7.730 1.00 0.00 C ATOM 225 O THR A 17 -0.500 -18.890 -7.773 1.00 0.00 O ATOM 226 CB THR A 17 -0.004 -17.617 -10.192 1.00 0.00 C ATOM 227 OG1 THR A 17 0.650 -16.909 -11.236 1.00 0.00 O ATOM 228 CG2 THR A 17 -1.500 -17.710 -10.496 1.00 0.00 C ATOM 0 H THR A 17 2.275 -17.146 -9.311 1.00 0.00 H new ATOM 0 HA THR A 17 -0.258 -15.893 -8.924 1.00 0.00 H new ATOM 0 HB THR A 17 0.412 -18.622 -10.117 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.518 -17.382 -12.084 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.648 -18.236 -11.439 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.001 -18.253 -9.695 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.919 -16.707 -10.571 1.00 0.00 H new ATOM 236 N LYS A 18 -0.902 -17.007 -6.714 1.00 0.00 N ATOM 237 CA LYS A 18 -1.536 -17.728 -5.574 1.00 0.00 C ATOM 238 C LYS A 18 -2.706 -18.567 -6.082 1.00 0.00 C ATOM 239 O LYS A 18 -2.852 -18.799 -7.266 1.00 0.00 O ATOM 240 CB LYS A 18 -2.049 -16.717 -4.548 1.00 0.00 C ATOM 241 CG LYS A 18 -1.366 -16.967 -3.202 1.00 0.00 C ATOM 242 CD LYS A 18 -1.728 -15.843 -2.230 1.00 0.00 C ATOM 243 CE LYS A 18 -0.497 -15.469 -1.403 1.00 0.00 C ATOM 244 NZ LYS A 18 0.507 -14.805 -2.281 1.00 0.00 N ATOM 0 H LYS A 18 -0.874 -15.991 -6.624 1.00 0.00 H new ATOM 0 HA LYS A 18 -0.796 -18.379 -5.108 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -1.845 -15.702 -4.888 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.130 -16.807 -4.442 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -1.680 -17.929 -2.796 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -0.285 -17.014 -3.334 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.088 -14.974 -2.780 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.537 -16.162 -1.573 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -0.781 -14.803 -0.589 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -0.066 -16.361 -0.949 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 1.395 -15.346 -2.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.144 -14.765 -3.255 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 0.684 -13.839 -1.938 1.00 0.00 H new ATOM 258 N CYS A 19 -3.538 -19.023 -5.192 1.00 0.00 N ATOM 259 CA CYS A 19 -4.705 -19.849 -5.613 1.00 0.00 C ATOM 260 C CYS A 19 -5.605 -19.008 -6.520 1.00 0.00 C ATOM 261 O CYS A 19 -5.207 -17.977 -7.023 1.00 0.00 O ATOM 262 CB CYS A 19 -5.515 -20.262 -4.379 1.00 0.00 C ATOM 263 SG CYS A 19 -5.534 -22.065 -4.186 1.00 0.00 S ATOM 0 H CYS A 19 -3.462 -18.860 -4.188 1.00 0.00 H new ATOM 0 HA CYS A 19 -4.350 -20.736 -6.138 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -5.087 -19.802 -3.488 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -6.536 -19.892 -4.470 1.00 0.00 H new ATOM 268 N CYS A 20 -6.816 -19.441 -6.731 1.00 0.00 N ATOM 269 CA CYS A 20 -7.745 -18.668 -7.601 1.00 0.00 C ATOM 270 C CYS A 20 -8.925 -18.196 -6.753 1.00 0.00 C ATOM 271 O CYS A 20 -9.475 -18.945 -5.971 1.00 0.00 O ATOM 272 CB CYS A 20 -8.262 -19.551 -8.738 1.00 0.00 C ATOM 273 SG CYS A 20 -6.901 -19.948 -9.863 1.00 0.00 S ATOM 0 H CYS A 20 -7.203 -20.299 -6.338 1.00 0.00 H new ATOM 0 HA CYS A 20 -7.218 -17.815 -8.030 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.692 -20.467 -8.334 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -9.057 -19.037 -9.279 1.00 0.00 H new ATOM 278 N ARG A 21 -9.308 -16.956 -6.887 1.00 0.00 N ATOM 279 CA ARG A 21 -10.453 -16.435 -6.087 1.00 0.00 C ATOM 280 C ARG A 21 -9.998 -16.141 -4.651 1.00 0.00 C ATOM 281 O ARG A 21 -10.741 -15.595 -3.860 1.00 0.00 O ATOM 282 CB ARG A 21 -11.583 -17.469 -6.071 1.00 0.00 C ATOM 283 CG ARG A 21 -12.857 -16.837 -6.634 1.00 0.00 C ATOM 284 CD ARG A 21 -14.080 -17.600 -6.119 1.00 0.00 C ATOM 285 NE ARG A 21 -15.263 -17.263 -6.960 1.00 0.00 N ATOM 286 CZ ARG A 21 -16.428 -17.788 -6.689 1.00 0.00 C ATOM 287 NH1 ARG A 21 -16.745 -18.075 -5.456 1.00 0.00 N ATOM 288 NH2 ARG A 21 -17.277 -18.026 -7.652 1.00 0.00 N ATOM 0 H ARG A 21 -8.877 -16.280 -7.517 1.00 0.00 H new ATOM 0 HA ARG A 21 -10.815 -15.512 -6.541 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -11.303 -18.340 -6.664 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -11.756 -17.819 -5.053 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -12.917 -15.790 -6.337 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -12.835 -16.858 -7.724 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.892 -18.673 -6.149 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -14.273 -17.339 -5.078 1.00 0.00 H new ATOM 0 HE ARG A 21 -15.163 -16.622 -7.747 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -16.083 -17.889 -4.703 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -17.655 -18.485 -5.246 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -17.031 -17.802 -8.616 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -18.187 -18.436 -7.440 1.00 0.00 H new ATOM 302 N GLY A 22 -8.788 -16.498 -4.306 1.00 0.00 N ATOM 303 CA GLY A 22 -8.301 -16.231 -2.920 1.00 0.00 C ATOM 304 C GLY A 22 -8.339 -17.515 -2.083 1.00 0.00 C ATOM 305 O GLY A 22 -9.353 -17.862 -1.512 1.00 0.00 O ATOM 0 H GLY A 22 -8.119 -16.961 -4.921 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.283 -15.842 -2.954 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -8.920 -15.466 -2.452 1.00 0.00 H new ATOM 309 N ARG A 23 -7.237 -18.214 -1.999 1.00 0.00 N ATOM 310 CA ARG A 23 -7.206 -19.474 -1.198 1.00 0.00 C ATOM 311 C ARG A 23 -5.761 -19.782 -0.790 1.00 0.00 C ATOM 312 O ARG A 23 -4.831 -19.371 -1.455 1.00 0.00 O ATOM 313 CB ARG A 23 -7.758 -20.638 -2.024 1.00 0.00 C ATOM 314 CG ARG A 23 -9.263 -20.472 -2.202 1.00 0.00 C ATOM 315 CD ARG A 23 -9.543 -19.705 -3.497 1.00 0.00 C ATOM 316 NE ARG A 23 -10.405 -20.534 -4.384 1.00 0.00 N ATOM 317 CZ ARG A 23 -11.606 -20.871 -3.998 1.00 0.00 C ATOM 318 NH1 ARG A 23 -12.236 -20.141 -3.120 1.00 0.00 N ATOM 319 NH2 ARG A 23 -12.174 -21.936 -4.491 1.00 0.00 N ATOM 0 H ARG A 23 -6.357 -17.967 -2.451 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.822 -19.345 -0.308 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.268 -20.671 -2.997 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.543 -21.584 -1.527 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.746 -21.449 -2.234 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -9.684 -19.936 -1.351 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -10.035 -18.759 -3.273 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -8.607 -19.466 -4.001 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.057 -20.839 -5.293 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -11.791 -19.308 -2.736 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.174 -20.403 -2.818 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.680 -22.506 -5.178 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.112 -22.199 -4.190 1.00 0.00 H new ATOM 333 N PRO A 24 -5.620 -20.501 0.295 1.00 0.00 N ATOM 334 CA PRO A 24 -4.296 -20.882 0.821 1.00 0.00 C ATOM 335 C PRO A 24 -3.597 -21.858 -0.132 1.00 0.00 C ATOM 336 O PRO A 24 -4.136 -22.241 -1.151 1.00 0.00 O ATOM 337 CB PRO A 24 -4.593 -21.572 2.160 1.00 0.00 C ATOM 338 CG PRO A 24 -6.133 -21.674 2.306 1.00 0.00 C ATOM 339 CD PRO A 24 -6.766 -20.975 1.093 1.00 0.00 C ATOM 0 HA PRO A 24 -3.636 -20.022 0.931 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -4.140 -22.563 2.189 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.167 -21.003 2.986 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.444 -22.718 2.351 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.461 -21.203 3.233 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.390 -21.662 0.521 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.404 -20.147 1.401 1.00 0.00 H new ATOM 347 N CYS A 25 -2.398 -22.258 0.196 1.00 0.00 N ATOM 348 CA CYS A 25 -1.654 -23.208 -0.680 1.00 0.00 C ATOM 349 C CYS A 25 -0.919 -24.223 0.199 1.00 0.00 C ATOM 350 O CYS A 25 0.241 -24.058 0.518 1.00 0.00 O ATOM 351 CB CYS A 25 -0.641 -22.440 -1.533 1.00 0.00 C ATOM 352 SG CYS A 25 -1.019 -22.688 -3.287 1.00 0.00 S ATOM 0 H CYS A 25 -1.900 -21.966 1.037 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.353 -23.725 -1.337 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.675 -21.378 -1.289 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.370 -22.785 -1.315 1.00 0.00 H new ATOM 357 N ARG A 26 -1.588 -25.271 0.593 1.00 0.00 N ATOM 358 CA ARG A 26 -0.936 -26.301 1.453 1.00 0.00 C ATOM 359 C ARG A 26 0.364 -26.778 0.802 1.00 0.00 C ATOM 360 O ARG A 26 0.476 -26.852 -0.404 1.00 0.00 O ATOM 361 CB ARG A 26 -1.886 -27.488 1.625 1.00 0.00 C ATOM 362 CG ARG A 26 -1.148 -28.634 2.319 1.00 0.00 C ATOM 363 CD ARG A 26 -2.162 -29.683 2.780 1.00 0.00 C ATOM 364 NE ARG A 26 -2.321 -30.720 1.721 1.00 0.00 N ATOM 365 CZ ARG A 26 -1.477 -31.713 1.648 1.00 0.00 C ATOM 366 NH1 ARG A 26 -0.328 -31.550 1.052 1.00 0.00 N ATOM 367 NH2 ARG A 26 -1.783 -32.869 2.172 1.00 0.00 N ATOM 0 H ARG A 26 -2.562 -25.460 0.356 1.00 0.00 H new ATOM 0 HA ARG A 26 -0.708 -25.866 2.426 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -2.754 -27.191 2.214 1.00 0.00 H new ATOM 0 HB3 ARG A 26 -2.256 -27.815 0.653 1.00 0.00 H new ATOM 0 HG2 ARG A 26 -0.427 -29.084 1.636 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -0.586 -28.256 3.173 1.00 0.00 H new ATOM 0 HD2 ARG A 26 -1.827 -30.145 3.709 1.00 0.00 H new ATOM 0 HD3 ARG A 26 -3.122 -29.210 2.988 1.00 0.00 H new ATOM 0 HE ARG A 26 -3.089 -30.654 1.053 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -0.089 -30.647 0.643 1.00 0.00 H new ATOM 0 HH12 ARG A 26 0.332 -32.326 0.995 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -2.681 -32.996 2.638 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -1.124 -33.645 2.115 1.00 0.00 H new ATOM 381 N CYS A 27 1.349 -27.107 1.597 1.00 0.00 N ATOM 382 CA CYS A 27 2.643 -27.580 1.025 1.00 0.00 C ATOM 383 C CYS A 27 2.911 -29.016 1.481 1.00 0.00 C ATOM 384 O CYS A 27 2.057 -29.668 2.049 1.00 0.00 O ATOM 385 CB CYS A 27 3.776 -26.673 1.511 1.00 0.00 C ATOM 386 SG CYS A 27 4.363 -25.654 0.136 1.00 0.00 S ATOM 0 H CYS A 27 1.313 -27.068 2.616 1.00 0.00 H new ATOM 0 HA CYS A 27 2.591 -27.549 -0.063 1.00 0.00 H new ATOM 0 HB2 CYS A 27 3.425 -26.038 2.324 1.00 0.00 H new ATOM 0 HB3 CYS A 27 4.594 -27.275 1.907 1.00 0.00 H new ATOM 391 N SER A 28 4.092 -29.513 1.235 1.00 0.00 N ATOM 392 CA SER A 28 4.419 -30.907 1.652 1.00 0.00 C ATOM 393 C SER A 28 4.936 -30.907 3.093 1.00 0.00 C ATOM 394 O SER A 28 5.856 -31.628 3.431 1.00 0.00 O ATOM 395 CB SER A 28 5.495 -31.476 0.726 1.00 0.00 C ATOM 396 OG SER A 28 5.657 -30.620 -0.397 1.00 0.00 O ATOM 0 H SER A 28 4.846 -29.014 0.763 1.00 0.00 H new ATOM 0 HA SER A 28 3.521 -31.522 1.591 1.00 0.00 H new ATOM 0 HB2 SER A 28 6.439 -31.571 1.263 1.00 0.00 H new ATOM 0 HB3 SER A 28 5.214 -32.476 0.396 1.00 0.00 H new ATOM 0 HG SER A 28 6.348 -30.984 -0.989 1.00 0.00 H new ATOM 402 N MET A 29 4.355 -30.108 3.945 1.00 0.00 N ATOM 403 CA MET A 29 4.816 -30.066 5.363 1.00 0.00 C ATOM 404 C MET A 29 6.146 -29.314 5.456 1.00 0.00 C ATOM 405 O MET A 29 6.724 -29.189 6.517 1.00 0.00 O ATOM 406 CB MET A 29 5.003 -31.494 5.878 1.00 0.00 C ATOM 407 CG MET A 29 4.468 -31.595 7.308 1.00 0.00 C ATOM 408 SD MET A 29 2.698 -31.969 7.265 1.00 0.00 S ATOM 409 CE MET A 29 2.773 -33.526 8.184 1.00 0.00 C ATOM 0 H MET A 29 3.581 -29.482 3.721 1.00 0.00 H new ATOM 0 HA MET A 29 4.070 -29.551 5.968 1.00 0.00 H new ATOM 0 HB2 MET A 29 4.478 -32.197 5.231 1.00 0.00 H new ATOM 0 HB3 MET A 29 6.058 -31.766 5.853 1.00 0.00 H new ATOM 0 HG2 MET A 29 5.002 -32.373 7.853 1.00 0.00 H new ATOM 0 HG3 MET A 29 4.640 -30.659 7.839 1.00 0.00 H new ATOM 0 HE1 MET A 29 1.770 -33.942 8.278 1.00 0.00 H new ATOM 0 HE2 MET A 29 3.410 -34.232 7.652 1.00 0.00 H new ATOM 0 HE3 MET A 29 3.185 -33.343 9.177 1.00 0.00 H new ATOM 419 N ILE A 30 6.638 -28.813 4.357 1.00 0.00 N ATOM 420 CA ILE A 30 7.932 -28.070 4.392 1.00 0.00 C ATOM 421 C ILE A 30 7.724 -26.660 3.839 1.00 0.00 C ATOM 422 O ILE A 30 7.572 -25.708 4.578 1.00 0.00 O ATOM 423 CB ILE A 30 8.989 -28.799 3.548 1.00 0.00 C ATOM 424 CG1 ILE A 30 8.323 -29.845 2.649 1.00 0.00 C ATOM 425 CG2 ILE A 30 9.986 -29.494 4.479 1.00 0.00 C ATOM 426 CD1 ILE A 30 9.393 -30.554 1.816 1.00 0.00 C ATOM 0 H ILE A 30 6.202 -28.885 3.438 1.00 0.00 H new ATOM 0 HA ILE A 30 8.280 -28.015 5.424 1.00 0.00 H new ATOM 0 HB ILE A 30 9.506 -28.072 2.922 1.00 0.00 H new ATOM 0 HG12 ILE A 30 7.780 -30.569 3.256 1.00 0.00 H new ATOM 0 HG13 ILE A 30 7.594 -29.367 1.994 1.00 0.00 H new ATOM 0 HG21 ILE A 30 10.738 -30.013 3.885 1.00 0.00 H new ATOM 0 HG22 ILE A 30 10.472 -28.751 5.111 1.00 0.00 H new ATOM 0 HG23 ILE A 30 9.458 -30.214 5.105 1.00 0.00 H new ATOM 0 HD11 ILE A 30 8.921 -31.299 1.175 1.00 0.00 H new ATOM 0 HD12 ILE A 30 9.917 -29.824 1.199 1.00 0.00 H new ATOM 0 HD13 ILE A 30 10.105 -31.045 2.480 1.00 0.00 H new ATOM 438 N GLY A 31 7.717 -26.521 2.544 1.00 0.00 N ATOM 439 CA GLY A 31 7.519 -25.173 1.941 1.00 0.00 C ATOM 440 C GLY A 31 8.313 -25.080 0.637 1.00 0.00 C ATOM 441 O GLY A 31 8.996 -24.107 0.384 1.00 0.00 O ATOM 0 H GLY A 31 7.840 -27.282 1.876 1.00 0.00 H new ATOM 0 HA2 GLY A 31 6.460 -25.000 1.748 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.847 -24.400 2.636 1.00 0.00 H new ATOM 445 N THR A 32 8.228 -26.083 -0.192 1.00 0.00 N ATOM 446 CA THR A 32 8.977 -26.050 -1.479 1.00 0.00 C ATOM 447 C THR A 32 7.998 -26.205 -2.645 1.00 0.00 C ATOM 448 O THR A 32 8.113 -25.543 -3.657 1.00 0.00 O ATOM 449 CB THR A 32 9.992 -27.196 -1.507 1.00 0.00 C ATOM 450 OG1 THR A 32 9.722 -28.090 -0.436 1.00 0.00 O ATOM 451 CG2 THR A 32 11.405 -26.632 -1.360 1.00 0.00 C ATOM 0 H THR A 32 7.672 -26.924 -0.034 1.00 0.00 H new ATOM 0 HA THR A 32 9.501 -25.098 -1.571 1.00 0.00 H new ATOM 0 HB THR A 32 9.914 -27.729 -2.455 1.00 0.00 H new ATOM 0 HG1 THR A 32 9.699 -29.009 -0.775 1.00 0.00 H new ATOM 0 HG21 THR A 32 12.127 -27.449 -1.380 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.610 -25.946 -2.182 1.00 0.00 H new ATOM 0 HG23 THR A 32 11.487 -26.098 -0.413 1.00 0.00 H new ATOM 459 N ASN A 33 7.034 -27.076 -2.511 1.00 0.00 N ATOM 460 CA ASN A 33 6.049 -27.271 -3.613 1.00 0.00 C ATOM 461 C ASN A 33 4.628 -27.159 -3.057 1.00 0.00 C ATOM 462 O ASN A 33 3.999 -28.148 -2.732 1.00 0.00 O ATOM 463 CB ASN A 33 6.246 -28.657 -4.231 1.00 0.00 C ATOM 464 CG ASN A 33 5.067 -28.976 -5.154 1.00 0.00 C ATOM 465 OD1 ASN A 33 4.167 -29.702 -4.780 1.00 0.00 O ATOM 466 ND2 ASN A 33 5.034 -28.460 -6.352 1.00 0.00 N ATOM 0 H ASN A 33 6.886 -27.660 -1.688 1.00 0.00 H new ATOM 0 HA ASN A 33 6.201 -26.506 -4.375 1.00 0.00 H new ATOM 0 HB2 ASN A 33 7.180 -28.687 -4.792 1.00 0.00 H new ATOM 0 HB3 ASN A 33 6.321 -29.410 -3.446 1.00 0.00 H new ATOM 0 HD21 ASN A 33 4.253 -28.666 -6.975 1.00 0.00 H new ATOM 0 HD22 ASN A 33 5.789 -27.851 -6.666 1.00 0.00 H new ATOM 473 N CYS A 34 4.113 -25.965 -2.946 1.00 0.00 N ATOM 474 CA CYS A 34 2.733 -25.796 -2.411 1.00 0.00 C ATOM 475 C CYS A 34 1.718 -26.088 -3.519 1.00 0.00 C ATOM 476 O CYS A 34 2.076 -26.278 -4.665 1.00 0.00 O ATOM 477 CB CYS A 34 2.550 -24.362 -1.913 1.00 0.00 C ATOM 478 SG CYS A 34 2.894 -24.293 -0.137 1.00 0.00 S ATOM 0 H CYS A 34 4.588 -25.100 -3.203 1.00 0.00 H new ATOM 0 HA CYS A 34 2.576 -26.488 -1.584 1.00 0.00 H new ATOM 0 HB2 CYS A 34 3.220 -23.691 -2.451 1.00 0.00 H new ATOM 0 HB3 CYS A 34 1.533 -24.024 -2.111 1.00 0.00 H new ATOM 483 N GLU A 35 0.455 -26.120 -3.191 1.00 0.00 N ATOM 484 CA GLU A 35 -0.574 -26.401 -4.231 1.00 0.00 C ATOM 485 C GLU A 35 -1.806 -25.527 -3.990 1.00 0.00 C ATOM 486 O GLU A 35 -2.116 -25.167 -2.872 1.00 0.00 O ATOM 487 CB GLU A 35 -0.978 -27.875 -4.167 1.00 0.00 C ATOM 488 CG GLU A 35 0.260 -28.737 -3.916 1.00 0.00 C ATOM 489 CD GLU A 35 0.521 -28.833 -2.411 1.00 0.00 C ATOM 490 OE1 GLU A 35 -0.410 -28.614 -1.654 1.00 0.00 O ATOM 491 OE2 GLU A 35 1.647 -29.122 -2.042 1.00 0.00 O ATOM 0 H GLU A 35 0.092 -25.964 -2.250 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.159 -26.178 -5.214 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -1.707 -28.028 -3.372 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -1.457 -28.172 -5.100 1.00 0.00 H new ATOM 0 HG2 GLU A 35 0.113 -29.733 -4.334 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.125 -28.304 -4.419 1.00 0.00 H new ATOM 498 N CYS A 36 -2.513 -25.186 -5.033 1.00 0.00 N ATOM 499 CA CYS A 36 -3.726 -24.335 -4.868 1.00 0.00 C ATOM 500 C CYS A 36 -4.853 -25.174 -4.258 1.00 0.00 C ATOM 501 O CYS A 36 -5.428 -26.022 -4.910 1.00 0.00 O ATOM 502 CB CYS A 36 -4.164 -23.805 -6.238 1.00 0.00 C ATOM 503 SG CYS A 36 -5.668 -22.810 -6.058 1.00 0.00 S ATOM 0 H CYS A 36 -2.303 -25.460 -5.993 1.00 0.00 H new ATOM 0 HA CYS A 36 -3.500 -23.496 -4.210 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.369 -23.202 -6.677 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -4.346 -24.637 -6.919 1.00 0.00 H new ATOM 508 N THR A 37 -5.173 -24.945 -3.013 1.00 0.00 N ATOM 509 CA THR A 37 -6.263 -25.733 -2.369 1.00 0.00 C ATOM 510 C THR A 37 -7.594 -24.985 -2.522 1.00 0.00 C ATOM 511 O THR A 37 -7.700 -23.841 -2.128 1.00 0.00 O ATOM 512 CB THR A 37 -5.957 -25.906 -0.880 1.00 0.00 C ATOM 513 OG1 THR A 37 -4.729 -25.261 -0.570 1.00 0.00 O ATOM 514 CG2 THR A 37 -5.854 -27.395 -0.546 1.00 0.00 C ATOM 0 H THR A 37 -4.728 -24.248 -2.415 1.00 0.00 H new ATOM 0 HA THR A 37 -6.332 -26.710 -2.847 1.00 0.00 H new ATOM 0 HB THR A 37 -6.759 -25.460 -0.291 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.612 -25.231 0.402 1.00 0.00 H new ATOM 0 HG21 THR A 37 -5.636 -27.516 0.515 1.00 0.00 H new ATOM 0 HG22 THR A 37 -6.798 -27.887 -0.781 1.00 0.00 H new ATOM 0 HG23 THR A 37 -5.054 -27.845 -1.134 1.00 0.00 H new ATOM 522 N PRO A 38 -8.572 -25.648 -3.090 1.00 0.00 N ATOM 523 CA PRO A 38 -9.901 -25.048 -3.297 1.00 0.00 C ATOM 524 C PRO A 38 -10.550 -24.725 -1.947 1.00 0.00 C ATOM 525 O PRO A 38 -10.190 -25.275 -0.926 1.00 0.00 O ATOM 526 CB PRO A 38 -10.708 -26.122 -4.036 1.00 0.00 C ATOM 527 CG PRO A 38 -9.794 -27.361 -4.212 1.00 0.00 C ATOM 528 CD PRO A 38 -8.433 -27.032 -3.580 1.00 0.00 C ATOM 0 HA PRO A 38 -9.852 -24.115 -3.858 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -11.603 -26.384 -3.471 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -11.040 -25.751 -5.006 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -10.237 -28.234 -3.733 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -9.677 -27.603 -5.268 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -8.198 -27.718 -2.766 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -7.627 -27.115 -4.310 1.00 0.00 H new ATOM 536 N ARG A 39 -11.507 -23.837 -1.937 1.00 0.00 N ATOM 537 CA ARG A 39 -12.179 -23.479 -0.656 1.00 0.00 C ATOM 538 C ARG A 39 -11.129 -23.085 0.385 1.00 0.00 C ATOM 539 O ARG A 39 -9.941 -23.223 0.166 1.00 0.00 O ATOM 540 CB ARG A 39 -12.978 -24.680 -0.146 1.00 0.00 C ATOM 541 CG ARG A 39 -14.460 -24.481 -0.470 1.00 0.00 C ATOM 542 CD ARG A 39 -15.151 -23.782 0.703 1.00 0.00 C ATOM 543 NE ARG A 39 -15.235 -24.717 1.860 1.00 0.00 N ATOM 544 CZ ARG A 39 -15.890 -24.373 2.936 1.00 0.00 C ATOM 545 NH1 ARG A 39 -16.539 -23.239 2.976 1.00 0.00 N ATOM 546 NH2 ARG A 39 -15.898 -25.163 3.974 1.00 0.00 N ATOM 0 H ARG A 39 -11.852 -23.344 -2.761 1.00 0.00 H new ATOM 0 HA ARG A 39 -12.852 -22.639 -0.825 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -12.613 -25.597 -0.610 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -12.842 -24.791 0.930 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -14.568 -23.885 -1.376 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -14.933 -25.444 -0.663 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -14.596 -22.887 0.985 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -16.150 -23.459 0.410 1.00 0.00 H new ATOM 0 HE ARG A 39 -14.780 -25.628 1.811 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -16.535 -22.620 2.165 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -17.050 -22.973 3.818 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -15.393 -26.049 3.945 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -16.409 -24.895 4.815 1.00 0.00 H new