USER MOD reduce.3.24.130724 H: found=0, std=0, add=248, rem=0, adj=7 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= -0.61 USER MOD Single : A 17 THR OG1 : rot 180:sc= 0.0167 USER MOD Single : A 18 LYS NZ :NH3+ -173:sc= -1.55 (180deg=-1.76) USER MOD Single : A 28 SER OG : rot 71:sc= 0.908 USER MOD Single : A 29 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 32 THR OG1 : rot 180:sc= 0.0225 USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 THR OG1 : rot 180:sc=-0.00663 USER MOD ----------------------------------------------------------------- ATOM 44 N CYS A 4 -4.824 -17.298 -13.714 1.00 0.00 N ATOM 45 CA CYS A 4 -4.638 -17.662 -12.280 1.00 0.00 C ATOM 46 C CYS A 4 -4.479 -19.179 -12.153 1.00 0.00 C ATOM 47 O CYS A 4 -4.439 -19.892 -13.136 1.00 0.00 O ATOM 48 CB CYS A 4 -5.859 -17.209 -11.477 1.00 0.00 C ATOM 49 SG CYS A 4 -7.301 -18.184 -11.974 1.00 0.00 S ATOM 0 HA CYS A 4 -3.745 -17.170 -11.894 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -5.673 -17.333 -10.410 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -6.047 -16.149 -11.647 1.00 0.00 H new ATOM 54 N ILE A 5 -4.389 -19.676 -10.950 1.00 0.00 N ATOM 55 CA ILE A 5 -4.233 -21.146 -10.762 1.00 0.00 C ATOM 56 C ILE A 5 -5.589 -21.762 -10.414 1.00 0.00 C ATOM 57 O ILE A 5 -5.838 -22.142 -9.287 1.00 0.00 O ATOM 58 CB ILE A 5 -3.246 -21.414 -9.626 1.00 0.00 C ATOM 59 CG1 ILE A 5 -1.866 -20.878 -10.011 1.00 0.00 C ATOM 60 CG2 ILE A 5 -3.155 -22.921 -9.377 1.00 0.00 C ATOM 61 CD1 ILE A 5 -0.910 -21.031 -8.826 1.00 0.00 C ATOM 0 H ILE A 5 -4.417 -19.128 -10.090 1.00 0.00 H new ATOM 0 HA ILE A 5 -3.856 -21.591 -11.683 1.00 0.00 H new ATOM 0 HB ILE A 5 -3.590 -20.914 -8.720 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -1.481 -21.421 -10.875 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -1.939 -19.830 -10.300 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -2.451 -23.114 -8.567 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -4.138 -23.305 -9.103 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -2.811 -23.419 -10.283 1.00 0.00 H new ATOM 0 HD11 ILE A 5 0.073 -20.649 -9.100 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -1.293 -20.469 -7.974 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -0.828 -22.084 -8.558 1.00 0.00 H new ATOM 73 N ALA A 6 -6.468 -21.865 -11.372 1.00 0.00 N ATOM 74 CA ALA A 6 -7.806 -22.457 -11.093 1.00 0.00 C ATOM 75 C ALA A 6 -7.694 -23.982 -11.079 1.00 0.00 C ATOM 76 O ALA A 6 -8.598 -24.677 -10.656 1.00 0.00 O ATOM 77 CB ALA A 6 -8.791 -22.027 -12.183 1.00 0.00 C ATOM 0 H ALA A 6 -6.318 -21.565 -12.335 1.00 0.00 H new ATOM 0 HA ALA A 6 -8.163 -22.110 -10.124 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -9.770 -22.460 -11.980 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -8.870 -20.940 -12.194 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -8.435 -22.375 -13.153 1.00 0.00 H new ATOM 83 N GLU A 7 -6.592 -24.510 -11.538 1.00 0.00 N ATOM 84 CA GLU A 7 -6.422 -25.988 -11.551 1.00 0.00 C ATOM 85 C GLU A 7 -6.302 -26.501 -10.115 1.00 0.00 C ATOM 86 O GLU A 7 -5.763 -25.838 -9.253 1.00 0.00 O ATOM 87 CB GLU A 7 -5.152 -26.342 -12.325 1.00 0.00 C ATOM 88 CG GLU A 7 -5.465 -26.398 -13.821 1.00 0.00 C ATOM 89 CD GLU A 7 -4.158 -26.421 -14.615 1.00 0.00 C ATOM 90 OE1 GLU A 7 -3.168 -26.885 -14.074 1.00 0.00 O ATOM 91 OE2 GLU A 7 -4.170 -25.973 -15.749 1.00 0.00 O ATOM 0 H GLU A 7 -5.802 -23.979 -11.905 1.00 0.00 H new ATOM 0 HA GLU A 7 -7.285 -26.451 -12.030 1.00 0.00 H new ATOM 0 HB2 GLU A 7 -4.377 -25.600 -12.132 1.00 0.00 H new ATOM 0 HB3 GLU A 7 -4.764 -27.303 -11.988 1.00 0.00 H new ATOM 0 HG2 GLU A 7 -6.056 -27.286 -14.047 1.00 0.00 H new ATOM 0 HG3 GLU A 7 -6.064 -25.534 -14.111 1.00 0.00 H new ATOM 98 N ASP A 8 -6.800 -27.678 -9.852 1.00 0.00 N ATOM 99 CA ASP A 8 -6.711 -28.229 -8.471 1.00 0.00 C ATOM 100 C ASP A 8 -5.244 -28.486 -8.122 1.00 0.00 C ATOM 101 O ASP A 8 -4.517 -29.105 -8.874 1.00 0.00 O ATOM 102 CB ASP A 8 -7.495 -29.541 -8.390 1.00 0.00 C ATOM 103 CG ASP A 8 -6.753 -30.628 -9.170 1.00 0.00 C ATOM 104 OD1 ASP A 8 -6.598 -30.469 -10.369 1.00 0.00 O ATOM 105 OD2 ASP A 8 -6.353 -31.603 -8.555 1.00 0.00 O ATOM 0 H ASP A 8 -7.264 -28.280 -10.532 1.00 0.00 H new ATOM 0 HA ASP A 8 -7.134 -27.514 -7.766 1.00 0.00 H new ATOM 0 HB2 ASP A 8 -7.614 -29.842 -7.349 1.00 0.00 H new ATOM 0 HB3 ASP A 8 -8.496 -29.405 -8.799 1.00 0.00 H new ATOM 110 N TYR A 9 -4.803 -28.016 -6.988 1.00 0.00 N ATOM 111 CA TYR A 9 -3.383 -28.233 -6.593 1.00 0.00 C ATOM 112 C TYR A 9 -2.459 -27.542 -7.598 1.00 0.00 C ATOM 113 O TYR A 9 -1.265 -27.764 -7.611 1.00 0.00 O ATOM 114 CB TYR A 9 -3.082 -29.734 -6.569 1.00 0.00 C ATOM 115 CG TYR A 9 -3.966 -30.412 -5.522 1.00 0.00 C ATOM 116 CD1 TYR A 9 -5.299 -30.654 -5.784 1.00 0.00 C ATOM 117 CD2 TYR A 9 -3.444 -30.787 -4.301 1.00 0.00 C ATOM 118 CE1 TYR A 9 -6.099 -31.262 -4.839 1.00 0.00 C ATOM 119 CE2 TYR A 9 -4.245 -31.394 -3.355 1.00 0.00 C ATOM 120 CZ TYR A 9 -5.578 -31.637 -3.617 1.00 0.00 C ATOM 121 OH TYR A 9 -6.380 -32.242 -2.670 1.00 0.00 O ATOM 0 H TYR A 9 -5.365 -27.491 -6.318 1.00 0.00 H new ATOM 0 HA TYR A 9 -3.216 -27.814 -5.601 1.00 0.00 H new ATOM 0 HB2 TYR A 9 -3.265 -30.169 -7.552 1.00 0.00 H new ATOM 0 HB3 TYR A 9 -2.030 -29.902 -6.337 1.00 0.00 H new ATOM 0 HD1 TYR A 9 -5.719 -30.365 -6.736 1.00 0.00 H new ATOM 0 HD2 TYR A 9 -2.402 -30.604 -4.084 1.00 0.00 H new ATOM 0 HE1 TYR A 9 -7.141 -31.446 -5.057 1.00 0.00 H new ATOM 0 HE2 TYR A 9 -3.825 -31.681 -2.402 1.00 0.00 H new ATOM 0 HH TYR A 9 -5.850 -32.439 -1.870 1.00 0.00 H new ATOM 131 N GLY A 10 -2.999 -26.709 -8.443 1.00 0.00 N ATOM 132 CA GLY A 10 -2.146 -26.009 -9.443 1.00 0.00 C ATOM 133 C GLY A 10 -0.886 -25.481 -8.751 1.00 0.00 C ATOM 134 O GLY A 10 -0.960 -24.715 -7.811 1.00 0.00 O ATOM 0 H GLY A 10 -3.993 -26.483 -8.484 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -1.874 -26.692 -10.248 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.698 -25.186 -9.896 1.00 0.00 H new ATOM 138 N LYS A 11 0.267 -25.889 -9.206 1.00 0.00 N ATOM 139 CA LYS A 11 1.531 -25.412 -8.575 1.00 0.00 C ATOM 140 C LYS A 11 1.428 -23.911 -8.292 1.00 0.00 C ATOM 141 O LYS A 11 1.153 -23.123 -9.174 1.00 0.00 O ATOM 142 CB LYS A 11 2.701 -25.673 -9.526 1.00 0.00 C ATOM 143 CG LYS A 11 4.004 -25.743 -8.728 1.00 0.00 C ATOM 144 CD LYS A 11 4.996 -24.719 -9.285 1.00 0.00 C ATOM 145 CE LYS A 11 5.258 -25.015 -10.763 1.00 0.00 C ATOM 146 NZ LYS A 11 5.137 -23.756 -11.550 1.00 0.00 N ATOM 0 H LYS A 11 0.389 -26.532 -9.988 1.00 0.00 H new ATOM 0 HA LYS A 11 1.695 -25.946 -7.639 1.00 0.00 H new ATOM 0 HB2 LYS A 11 2.543 -26.606 -10.066 1.00 0.00 H new ATOM 0 HB3 LYS A 11 2.761 -24.880 -10.271 1.00 0.00 H new ATOM 0 HG2 LYS A 11 3.810 -25.542 -7.675 1.00 0.00 H new ATOM 0 HG3 LYS A 11 4.427 -26.746 -8.788 1.00 0.00 H new ATOM 0 HD2 LYS A 11 4.598 -23.711 -9.170 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.930 -24.759 -8.724 1.00 0.00 H new ATOM 0 HE2 LYS A 11 6.253 -25.441 -10.889 1.00 0.00 H new ATOM 0 HE3 LYS A 11 4.546 -25.755 -11.129 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 5.315 -23.956 -12.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 4.179 -23.368 -11.439 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 5.833 -23.064 -11.207 1.00 0.00 H new ATOM 160 N CYS A 12 1.646 -23.509 -7.069 1.00 0.00 N ATOM 161 CA CYS A 12 1.559 -22.058 -6.737 1.00 0.00 C ATOM 162 C CYS A 12 2.931 -21.548 -6.301 1.00 0.00 C ATOM 163 O CYS A 12 3.928 -22.233 -6.418 1.00 0.00 O ATOM 164 CB CYS A 12 0.556 -21.849 -5.601 1.00 0.00 C ATOM 165 SG CYS A 12 1.078 -22.795 -4.149 1.00 0.00 S ATOM 0 H CYS A 12 1.880 -24.121 -6.287 1.00 0.00 H new ATOM 0 HA CYS A 12 1.230 -21.508 -7.618 1.00 0.00 H new ATOM 0 HB2 CYS A 12 0.488 -20.790 -5.352 1.00 0.00 H new ATOM 0 HB3 CYS A 12 -0.438 -22.167 -5.917 1.00 0.00 H new ATOM 170 N THR A 13 2.989 -20.345 -5.799 1.00 0.00 N ATOM 171 CA THR A 13 4.296 -19.782 -5.353 1.00 0.00 C ATOM 172 C THR A 13 4.045 -18.626 -4.384 1.00 0.00 C ATOM 173 O THR A 13 3.217 -17.770 -4.626 1.00 0.00 O ATOM 174 CB THR A 13 5.072 -19.269 -6.568 1.00 0.00 C ATOM 175 OG1 THR A 13 4.568 -19.886 -7.745 1.00 0.00 O ATOM 176 CG2 THR A 13 6.555 -19.604 -6.409 1.00 0.00 C ATOM 0 H THR A 13 2.187 -19.726 -5.678 1.00 0.00 H new ATOM 0 HA THR A 13 4.876 -20.558 -4.854 1.00 0.00 H new ATOM 0 HB THR A 13 4.953 -18.188 -6.644 1.00 0.00 H new ATOM 0 HG1 THR A 13 5.063 -19.557 -8.524 1.00 0.00 H new ATOM 0 HG21 THR A 13 7.106 -19.238 -7.275 1.00 0.00 H new ATOM 0 HG22 THR A 13 6.941 -19.129 -5.507 1.00 0.00 H new ATOM 0 HG23 THR A 13 6.678 -20.684 -6.331 1.00 0.00 H new ATOM 184 N TRP A 14 4.753 -18.592 -3.288 1.00 0.00 N ATOM 185 CA TRP A 14 4.553 -17.488 -2.306 1.00 0.00 C ATOM 186 C TRP A 14 5.130 -16.191 -2.873 1.00 0.00 C ATOM 187 O TRP A 14 6.323 -15.961 -2.834 1.00 0.00 O ATOM 188 CB TRP A 14 5.266 -17.833 -0.997 1.00 0.00 C ATOM 189 CG TRP A 14 4.403 -18.803 -0.187 1.00 0.00 C ATOM 190 CD1 TRP A 14 3.910 -19.965 -0.649 1.00 0.00 C ATOM 191 CD2 TRP A 14 4.031 -18.622 1.078 1.00 0.00 C ATOM 192 NE1 TRP A 14 3.235 -20.456 0.393 1.00 0.00 N ATOM 193 CE2 TRP A 14 3.258 -19.684 1.509 1.00 0.00 C ATOM 194 CE3 TRP A 14 4.307 -17.578 1.937 1.00 0.00 C ATOM 195 CZ2 TRP A 14 2.764 -19.700 2.797 1.00 0.00 C ATOM 196 CZ3 TRP A 14 3.812 -17.594 3.225 1.00 0.00 C ATOM 197 CH2 TRP A 14 3.041 -18.655 3.655 1.00 0.00 C ATOM 0 H TRP A 14 5.461 -19.280 -3.030 1.00 0.00 H new ATOM 0 HA TRP A 14 3.487 -17.360 -2.116 1.00 0.00 H new ATOM 0 HB2 TRP A 14 6.237 -18.281 -1.207 1.00 0.00 H new ATOM 0 HB3 TRP A 14 5.451 -16.926 -0.421 1.00 0.00 H new ATOM 0 HD1 TRP A 14 4.031 -20.399 -1.631 1.00 0.00 H new ATOM 0 HE1 TRP A 14 2.738 -21.346 0.353 1.00 0.00 H new ATOM 0 HE3 TRP A 14 4.911 -16.748 1.601 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 2.161 -20.530 3.134 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 4.028 -16.776 3.897 1.00 0.00 H new ATOM 0 HH2 TRP A 14 2.654 -18.667 4.663 1.00 0.00 H new ATOM 208 N GLY A 15 4.294 -15.339 -3.400 1.00 0.00 N ATOM 209 CA GLY A 15 4.796 -14.057 -3.969 1.00 0.00 C ATOM 210 C GLY A 15 4.473 -14.000 -5.464 1.00 0.00 C ATOM 211 O GLY A 15 4.650 -12.986 -6.108 1.00 0.00 O ATOM 0 H GLY A 15 3.285 -15.475 -3.461 1.00 0.00 H new ATOM 0 HA2 GLY A 15 4.336 -13.214 -3.454 1.00 0.00 H new ATOM 0 HA3 GLY A 15 5.872 -13.975 -3.815 1.00 0.00 H new ATOM 215 N GLY A 16 4.001 -15.083 -6.020 1.00 0.00 N ATOM 216 CA GLY A 16 3.669 -15.089 -7.472 1.00 0.00 C ATOM 217 C GLY A 16 2.150 -15.147 -7.645 1.00 0.00 C ATOM 218 O GLY A 16 1.409 -14.516 -6.918 1.00 0.00 O ATOM 0 H GLY A 16 3.831 -15.962 -5.532 1.00 0.00 H new ATOM 0 HA2 GLY A 16 4.067 -14.194 -7.951 1.00 0.00 H new ATOM 0 HA3 GLY A 16 4.135 -15.946 -7.959 1.00 0.00 H new ATOM 222 N THR A 17 1.679 -15.900 -8.601 1.00 0.00 N ATOM 223 CA THR A 17 0.208 -15.996 -8.816 1.00 0.00 C ATOM 224 C THR A 17 -0.403 -16.925 -7.765 1.00 0.00 C ATOM 225 O THR A 17 0.223 -17.866 -7.318 1.00 0.00 O ATOM 226 CB THR A 17 -0.068 -16.555 -10.215 1.00 0.00 C ATOM 227 OG1 THR A 17 0.997 -16.194 -11.084 1.00 0.00 O ATOM 228 CG2 THR A 17 -1.381 -15.980 -10.746 1.00 0.00 C ATOM 0 H THR A 17 2.249 -16.452 -9.242 1.00 0.00 H new ATOM 0 HA THR A 17 -0.237 -15.005 -8.726 1.00 0.00 H new ATOM 0 HB THR A 17 -0.145 -17.641 -10.165 1.00 0.00 H new ATOM 0 HG1 THR A 17 0.824 -16.552 -11.980 1.00 0.00 H new ATOM 0 HG21 THR A 17 -1.576 -16.378 -11.742 1.00 0.00 H new ATOM 0 HG22 THR A 17 -2.196 -16.257 -10.078 1.00 0.00 H new ATOM 0 HG23 THR A 17 -1.308 -14.894 -10.798 1.00 0.00 H new ATOM 236 N LYS A 18 -1.618 -16.669 -7.367 1.00 0.00 N ATOM 237 CA LYS A 18 -2.265 -17.539 -6.345 1.00 0.00 C ATOM 238 C LYS A 18 -3.443 -18.282 -6.969 1.00 0.00 C ATOM 239 O LYS A 18 -3.584 -18.355 -8.174 1.00 0.00 O ATOM 240 CB LYS A 18 -2.771 -16.682 -5.184 1.00 0.00 C ATOM 241 CG LYS A 18 -2.338 -17.313 -3.859 1.00 0.00 C ATOM 242 CD LYS A 18 -2.793 -16.427 -2.698 1.00 0.00 C ATOM 243 CE LYS A 18 -3.721 -17.225 -1.780 1.00 0.00 C ATOM 244 NZ LYS A 18 -5.131 -17.048 -2.228 1.00 0.00 N ATOM 0 H LYS A 18 -2.191 -15.896 -7.705 1.00 0.00 H new ATOM 0 HA LYS A 18 -1.533 -18.259 -5.978 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -2.374 -15.670 -5.264 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.857 -16.602 -5.223 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -2.769 -18.309 -3.761 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -1.255 -17.431 -3.837 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -1.928 -16.071 -2.138 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -3.310 -15.547 -3.079 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -3.451 -18.281 -1.800 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -3.610 -16.887 -0.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -5.772 -17.490 -1.539 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -5.347 -16.033 -2.301 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -5.259 -17.497 -3.157 1.00 0.00 H new ATOM 258 N CYS A 19 -4.290 -18.833 -6.150 1.00 0.00 N ATOM 259 CA CYS A 19 -5.469 -19.578 -6.676 1.00 0.00 C ATOM 260 C CYS A 19 -6.608 -18.598 -6.963 1.00 0.00 C ATOM 261 O CYS A 19 -6.857 -17.682 -6.205 1.00 0.00 O ATOM 262 CB CYS A 19 -5.930 -20.600 -5.636 1.00 0.00 C ATOM 263 SG CYS A 19 -6.094 -22.225 -6.414 1.00 0.00 S ATOM 0 H CYS A 19 -4.218 -18.801 -5.133 1.00 0.00 H new ATOM 0 HA CYS A 19 -5.191 -20.092 -7.596 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -5.213 -20.649 -4.816 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -6.884 -20.293 -5.207 1.00 0.00 H new ATOM 268 N CYS A 20 -7.304 -18.785 -8.052 1.00 0.00 N ATOM 269 CA CYS A 20 -8.425 -17.863 -8.383 1.00 0.00 C ATOM 270 C CYS A 20 -9.382 -17.786 -7.192 1.00 0.00 C ATOM 271 O CYS A 20 -9.583 -18.755 -6.487 1.00 0.00 O ATOM 272 CB CYS A 20 -9.175 -18.386 -9.608 1.00 0.00 C ATOM 273 SG CYS A 20 -8.848 -17.303 -11.021 1.00 0.00 S ATOM 0 H CYS A 20 -7.144 -19.535 -8.725 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.029 -16.871 -8.600 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -8.858 -19.404 -9.835 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -10.245 -18.423 -9.404 1.00 0.00 H new ATOM 278 N ARG A 21 -9.968 -16.638 -6.962 1.00 0.00 N ATOM 279 CA ARG A 21 -10.916 -16.478 -5.818 1.00 0.00 C ATOM 280 C ARG A 21 -10.132 -16.205 -4.531 1.00 0.00 C ATOM 281 O ARG A 21 -10.502 -15.364 -3.736 1.00 0.00 O ATOM 282 CB ARG A 21 -11.762 -17.745 -5.650 1.00 0.00 C ATOM 283 CG ARG A 21 -12.212 -18.247 -7.025 1.00 0.00 C ATOM 284 CD ARG A 21 -13.502 -19.058 -6.873 1.00 0.00 C ATOM 285 NE ARG A 21 -14.666 -18.132 -6.796 1.00 0.00 N ATOM 286 CZ ARG A 21 -15.855 -18.600 -6.534 1.00 0.00 C ATOM 287 NH1 ARG A 21 -16.070 -19.249 -5.422 1.00 0.00 N ATOM 288 NH2 ARG A 21 -16.830 -18.421 -7.384 1.00 0.00 N ATOM 0 H ARG A 21 -9.829 -15.798 -7.523 1.00 0.00 H new ATOM 0 HA ARG A 21 -11.578 -15.637 -6.023 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -11.183 -18.516 -5.141 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -12.631 -17.535 -5.026 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -12.376 -17.404 -7.696 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -11.432 -18.864 -7.472 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -13.619 -19.736 -7.718 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -13.453 -19.673 -5.975 1.00 0.00 H new ATOM 0 HE ARG A 21 -14.533 -17.132 -6.948 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -15.308 -19.390 -4.758 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -17.000 -19.615 -5.217 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -16.662 -17.915 -8.254 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -17.760 -18.787 -7.178 1.00 0.00 H new ATOM 302 N GLY A 22 -9.054 -16.907 -4.317 1.00 0.00 N ATOM 303 CA GLY A 22 -8.251 -16.684 -3.081 1.00 0.00 C ATOM 304 C GLY A 22 -8.209 -17.970 -2.252 1.00 0.00 C ATOM 305 O GLY A 22 -8.974 -18.146 -1.325 1.00 0.00 O ATOM 0 H GLY A 22 -8.694 -17.626 -4.945 1.00 0.00 H new ATOM 0 HA2 GLY A 22 -7.239 -16.377 -3.344 1.00 0.00 H new ATOM 0 HA3 GLY A 22 -8.687 -15.876 -2.494 1.00 0.00 H new ATOM 309 N ARG A 23 -7.319 -18.871 -2.577 1.00 0.00 N ATOM 310 CA ARG A 23 -7.231 -20.142 -1.803 1.00 0.00 C ATOM 311 C ARG A 23 -5.798 -20.319 -1.284 1.00 0.00 C ATOM 312 O ARG A 23 -4.852 -20.004 -1.976 1.00 0.00 O ATOM 313 CB ARG A 23 -7.597 -21.323 -2.707 1.00 0.00 C ATOM 314 CG ARG A 23 -9.101 -21.301 -2.996 1.00 0.00 C ATOM 315 CD ARG A 23 -9.849 -21.992 -1.854 1.00 0.00 C ATOM 316 NE ARG A 23 -10.937 -22.843 -2.414 1.00 0.00 N ATOM 317 CZ ARG A 23 -12.078 -22.308 -2.749 1.00 0.00 C ATOM 318 NH1 ARG A 23 -12.883 -21.852 -1.828 1.00 0.00 N ATOM 319 NH2 ARG A 23 -12.417 -22.228 -4.008 1.00 0.00 N ATOM 0 H ARG A 23 -6.651 -18.781 -3.343 1.00 0.00 H new ATOM 0 HA ARG A 23 -7.924 -20.105 -0.963 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -7.036 -21.267 -3.640 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -7.323 -22.262 -2.225 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -9.447 -20.273 -3.102 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -9.309 -21.806 -3.939 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -9.160 -22.602 -1.271 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -10.267 -21.248 -1.177 1.00 0.00 H new ATOM 0 HE ARG A 23 -10.789 -23.845 -2.535 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -12.620 -21.914 -0.844 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -13.775 -21.434 -2.092 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -11.789 -22.584 -4.729 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -13.309 -21.810 -4.270 1.00 0.00 H new ATOM 333 N PRO A 24 -5.682 -20.819 -0.077 1.00 0.00 N ATOM 334 CA PRO A 24 -4.369 -21.046 0.554 1.00 0.00 C ATOM 335 C PRO A 24 -3.574 -22.096 -0.227 1.00 0.00 C ATOM 336 O PRO A 24 -4.093 -22.754 -1.107 1.00 0.00 O ATOM 337 CB PRO A 24 -4.694 -21.561 1.963 1.00 0.00 C ATOM 338 CG PRO A 24 -6.236 -21.680 2.075 1.00 0.00 C ATOM 339 CD PRO A 24 -6.842 -21.191 0.751 1.00 0.00 C ATOM 0 HA PRO A 24 -3.761 -20.142 0.575 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -4.222 -22.528 2.135 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -4.307 -20.878 2.719 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -6.526 -22.712 2.270 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -6.606 -21.082 2.908 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -7.434 -21.972 0.274 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -7.505 -20.340 0.909 1.00 0.00 H new ATOM 347 N CYS A 25 -2.317 -22.257 0.088 1.00 0.00 N ATOM 348 CA CYS A 25 -1.487 -23.262 -0.635 1.00 0.00 C ATOM 349 C CYS A 25 -0.678 -24.077 0.377 1.00 0.00 C ATOM 350 O CYS A 25 -0.658 -23.778 1.555 1.00 0.00 O ATOM 351 CB CYS A 25 -0.531 -22.547 -1.593 1.00 0.00 C ATOM 352 SG CYS A 25 -0.652 -23.298 -3.236 1.00 0.00 S ATOM 0 H CYS A 25 -1.829 -21.735 0.816 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.138 -23.927 -1.203 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.778 -21.487 -1.647 1.00 0.00 H new ATOM 0 HB3 CYS A 25 0.492 -22.618 -1.223 1.00 0.00 H new ATOM 357 N ARG A 26 -0.012 -25.105 -0.072 1.00 0.00 N ATOM 358 CA ARG A 26 0.794 -25.939 0.861 1.00 0.00 C ATOM 359 C ARG A 26 2.101 -26.344 0.178 1.00 0.00 C ATOM 360 O ARG A 26 2.122 -26.677 -0.991 1.00 0.00 O ATOM 361 CB ARG A 26 0.003 -27.196 1.235 1.00 0.00 C ATOM 362 CG ARG A 26 0.380 -27.637 2.651 1.00 0.00 C ATOM 363 CD ARG A 26 0.172 -29.148 2.785 1.00 0.00 C ATOM 364 NE ARG A 26 -1.286 -29.454 2.741 1.00 0.00 N ATOM 365 CZ ARG A 26 -1.929 -29.722 3.845 1.00 0.00 C ATOM 366 NH1 ARG A 26 -1.497 -29.250 4.982 1.00 0.00 N ATOM 367 NH2 ARG A 26 -3.004 -30.460 3.810 1.00 0.00 N ATOM 0 H ARG A 26 0.008 -25.403 -1.047 1.00 0.00 H new ATOM 0 HA ARG A 26 1.015 -25.368 1.763 1.00 0.00 H new ATOM 0 HB2 ARG A 26 -1.067 -26.995 1.179 1.00 0.00 H new ATOM 0 HB3 ARG A 26 0.215 -27.996 0.526 1.00 0.00 H new ATOM 0 HG2 ARG A 26 1.419 -27.382 2.859 1.00 0.00 H new ATOM 0 HG3 ARG A 26 -0.230 -27.108 3.383 1.00 0.00 H new ATOM 0 HD2 ARG A 26 0.689 -29.670 1.980 1.00 0.00 H new ATOM 0 HD3 ARG A 26 0.601 -29.503 3.722 1.00 0.00 H new ATOM 0 HE ARG A 26 -1.781 -29.454 1.849 1.00 0.00 H new ATOM 0 HH11 ARG A 26 -0.657 -28.672 5.008 1.00 0.00 H new ATOM 0 HH12 ARG A 26 -1.999 -29.459 5.845 1.00 0.00 H new ATOM 0 HH21 ARG A 26 -3.342 -30.827 2.920 1.00 0.00 H new ATOM 0 HH22 ARG A 26 -3.507 -30.670 4.672 1.00 0.00 H new ATOM 381 N CYS A 27 3.193 -26.317 0.892 1.00 0.00 N ATOM 382 CA CYS A 27 4.495 -26.702 0.277 1.00 0.00 C ATOM 383 C CYS A 27 5.245 -27.653 1.209 1.00 0.00 C ATOM 384 O CYS A 27 4.698 -28.162 2.166 1.00 0.00 O ATOM 385 CB CYS A 27 5.340 -25.448 0.048 1.00 0.00 C ATOM 386 SG CYS A 27 4.429 -24.285 -0.998 1.00 0.00 S ATOM 0 H CYS A 27 3.240 -26.045 1.874 1.00 0.00 H new ATOM 0 HA CYS A 27 4.310 -27.199 -0.675 1.00 0.00 H new ATOM 0 HB2 CYS A 27 5.582 -24.981 1.003 1.00 0.00 H new ATOM 0 HB3 CYS A 27 6.285 -25.715 -0.425 1.00 0.00 H new ATOM 391 N SER A 28 6.498 -27.894 0.934 1.00 0.00 N ATOM 392 CA SER A 28 7.292 -28.812 1.799 1.00 0.00 C ATOM 393 C SER A 28 7.499 -28.176 3.174 1.00 0.00 C ATOM 394 O SER A 28 7.500 -28.849 4.185 1.00 0.00 O ATOM 395 CB SER A 28 8.654 -29.075 1.152 1.00 0.00 C ATOM 396 OG SER A 28 8.577 -30.237 0.340 1.00 0.00 O ATOM 0 H SER A 28 7.007 -27.494 0.146 1.00 0.00 H new ATOM 0 HA SER A 28 6.753 -29.753 1.913 1.00 0.00 H new ATOM 0 HB2 SER A 28 8.954 -28.217 0.550 1.00 0.00 H new ATOM 0 HB3 SER A 28 9.415 -29.206 1.922 1.00 0.00 H new ATOM 0 HG SER A 28 8.034 -30.046 -0.453 1.00 0.00 H new ATOM 402 N MET A 29 7.676 -26.885 3.218 1.00 0.00 N ATOM 403 CA MET A 29 7.883 -26.205 4.529 1.00 0.00 C ATOM 404 C MET A 29 6.896 -26.767 5.551 1.00 0.00 C ATOM 405 O MET A 29 7.150 -26.773 6.739 1.00 0.00 O ATOM 406 CB MET A 29 7.648 -24.701 4.368 1.00 0.00 C ATOM 407 CG MET A 29 6.553 -24.462 3.326 1.00 0.00 C ATOM 408 SD MET A 29 5.975 -22.751 3.440 1.00 0.00 S ATOM 409 CE MET A 29 7.240 -22.014 2.375 1.00 0.00 C ATOM 0 H MET A 29 7.686 -26.271 2.404 1.00 0.00 H new ATOM 0 HA MET A 29 8.903 -26.378 4.872 1.00 0.00 H new ATOM 0 HB2 MET A 29 7.357 -24.264 5.323 1.00 0.00 H new ATOM 0 HB3 MET A 29 8.571 -24.209 4.060 1.00 0.00 H new ATOM 0 HG2 MET A 29 6.938 -24.661 2.326 1.00 0.00 H new ATOM 0 HG3 MET A 29 5.723 -25.149 3.491 1.00 0.00 H new ATOM 0 HE1 MET A 29 7.073 -20.939 2.302 1.00 0.00 H new ATOM 0 HE2 MET A 29 8.227 -22.200 2.799 1.00 0.00 H new ATOM 0 HE3 MET A 29 7.183 -22.458 1.381 1.00 0.00 H new ATOM 419 N ILE A 30 5.770 -27.243 5.096 1.00 0.00 N ATOM 420 CA ILE A 30 4.762 -27.808 6.037 1.00 0.00 C ATOM 421 C ILE A 30 3.866 -28.792 5.283 1.00 0.00 C ATOM 422 O ILE A 30 2.726 -29.010 5.641 1.00 0.00 O ATOM 423 CB ILE A 30 3.907 -26.677 6.617 1.00 0.00 C ATOM 424 CG1 ILE A 30 3.820 -25.527 5.612 1.00 0.00 C ATOM 425 CG2 ILE A 30 4.547 -26.173 7.912 1.00 0.00 C ATOM 426 CD1 ILE A 30 3.106 -24.337 6.257 1.00 0.00 C ATOM 0 H ILE A 30 5.504 -27.265 4.112 1.00 0.00 H new ATOM 0 HA ILE A 30 5.272 -28.325 6.850 1.00 0.00 H new ATOM 0 HB ILE A 30 2.904 -27.051 6.823 1.00 0.00 H new ATOM 0 HG12 ILE A 30 4.820 -25.234 5.291 1.00 0.00 H new ATOM 0 HG13 ILE A 30 3.281 -25.849 4.721 1.00 0.00 H new ATOM 0 HG21 ILE A 30 3.941 -25.368 8.328 1.00 0.00 H new ATOM 0 HG22 ILE A 30 4.607 -26.990 8.631 1.00 0.00 H new ATOM 0 HG23 ILE A 30 5.550 -25.801 7.702 1.00 0.00 H new ATOM 0 HD11 ILE A 30 3.044 -23.518 5.541 1.00 0.00 H new ATOM 0 HD12 ILE A 30 2.101 -24.634 6.556 1.00 0.00 H new ATOM 0 HD13 ILE A 30 3.664 -24.010 7.135 1.00 0.00 H new ATOM 438 N GLY A 31 4.376 -29.388 4.239 1.00 0.00 N ATOM 439 CA GLY A 31 3.558 -30.358 3.459 1.00 0.00 C ATOM 440 C GLY A 31 4.455 -31.095 2.461 1.00 0.00 C ATOM 441 O GLY A 31 5.062 -32.097 2.783 1.00 0.00 O ATOM 0 H GLY A 31 5.325 -29.244 3.893 1.00 0.00 H new ATOM 0 HA2 GLY A 31 3.081 -31.071 4.131 1.00 0.00 H new ATOM 0 HA3 GLY A 31 2.761 -29.836 2.931 1.00 0.00 H new ATOM 445 N THR A 32 4.543 -30.609 1.253 1.00 0.00 N ATOM 446 CA THR A 32 5.400 -31.285 0.237 1.00 0.00 C ATOM 447 C THR A 32 5.722 -30.300 -0.891 1.00 0.00 C ATOM 448 O THR A 32 6.676 -29.552 -0.822 1.00 0.00 O ATOM 449 CB THR A 32 4.659 -32.496 -0.335 1.00 0.00 C ATOM 450 OG1 THR A 32 3.267 -32.215 -0.391 1.00 0.00 O ATOM 451 CG2 THR A 32 4.900 -33.713 0.560 1.00 0.00 C ATOM 0 H THR A 32 4.059 -29.773 0.925 1.00 0.00 H new ATOM 0 HA THR A 32 6.326 -31.618 0.705 1.00 0.00 H new ATOM 0 HB THR A 32 5.028 -32.707 -1.339 1.00 0.00 H new ATOM 0 HG1 THR A 32 2.792 -32.989 -0.759 1.00 0.00 H new ATOM 0 HG21 THR A 32 4.372 -34.575 0.152 1.00 0.00 H new ATOM 0 HG22 THR A 32 5.968 -33.928 0.602 1.00 0.00 H new ATOM 0 HG23 THR A 32 4.532 -33.504 1.565 1.00 0.00 H new ATOM 459 N ASN A 33 4.934 -30.296 -1.932 1.00 0.00 N ATOM 460 CA ASN A 33 5.197 -29.359 -3.059 1.00 0.00 C ATOM 461 C ASN A 33 4.220 -28.187 -2.967 1.00 0.00 C ATOM 462 O ASN A 33 3.210 -28.266 -2.297 1.00 0.00 O ATOM 463 CB ASN A 33 5.001 -30.087 -4.391 1.00 0.00 C ATOM 464 CG ASN A 33 5.913 -31.315 -4.439 1.00 0.00 C ATOM 465 OD1 ASN A 33 5.454 -32.433 -4.308 1.00 0.00 O ATOM 466 ND2 ASN A 33 7.195 -31.155 -4.623 1.00 0.00 N ATOM 0 H ASN A 33 4.121 -30.901 -2.050 1.00 0.00 H new ATOM 0 HA ASN A 33 6.222 -28.992 -3.001 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.960 -30.389 -4.503 1.00 0.00 H new ATOM 0 HB3 ASN A 33 5.230 -29.418 -5.221 1.00 0.00 H new ATOM 0 HD21 ASN A 33 7.811 -31.968 -4.657 1.00 0.00 H new ATOM 0 HD22 ASN A 33 7.581 -30.217 -4.733 1.00 0.00 H new ATOM 473 N CYS A 34 4.502 -27.104 -3.636 1.00 0.00 N ATOM 474 CA CYS A 34 3.578 -25.937 -3.577 1.00 0.00 C ATOM 475 C CYS A 34 2.396 -26.177 -4.517 1.00 0.00 C ATOM 476 O CYS A 34 2.513 -26.060 -5.721 1.00 0.00 O ATOM 477 CB CYS A 34 4.326 -24.671 -4.001 1.00 0.00 C ATOM 478 SG CYS A 34 5.504 -24.204 -2.707 1.00 0.00 S ATOM 0 H CYS A 34 5.329 -26.976 -4.219 1.00 0.00 H new ATOM 0 HA CYS A 34 3.210 -25.813 -2.558 1.00 0.00 H new ATOM 0 HB2 CYS A 34 4.851 -24.843 -4.941 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.620 -23.859 -4.175 1.00 0.00 H new ATOM 483 N GLU A 35 1.258 -26.512 -3.974 1.00 0.00 N ATOM 484 CA GLU A 35 0.064 -26.761 -4.830 1.00 0.00 C ATOM 485 C GLU A 35 -1.162 -26.092 -4.205 1.00 0.00 C ATOM 486 O GLU A 35 -1.314 -26.055 -3.001 1.00 0.00 O ATOM 487 CB GLU A 35 -0.179 -28.268 -4.935 1.00 0.00 C ATOM 488 CG GLU A 35 1.110 -28.966 -5.374 1.00 0.00 C ATOM 489 CD GLU A 35 0.781 -30.038 -6.414 1.00 0.00 C ATOM 490 OE1 GLU A 35 0.703 -29.698 -7.584 1.00 0.00 O ATOM 491 OE2 GLU A 35 0.613 -31.182 -6.024 1.00 0.00 O ATOM 0 H GLU A 35 1.103 -26.624 -2.972 1.00 0.00 H new ATOM 0 HA GLU A 35 0.237 -26.347 -5.824 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -0.508 -28.661 -3.973 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -0.976 -28.469 -5.651 1.00 0.00 H new ATOM 0 HG2 GLU A 35 1.805 -28.239 -5.793 1.00 0.00 H new ATOM 0 HG3 GLU A 35 1.602 -29.418 -4.513 1.00 0.00 H new ATOM 498 N CYS A 36 -2.037 -25.561 -5.015 1.00 0.00 N ATOM 499 CA CYS A 36 -3.253 -24.894 -4.466 1.00 0.00 C ATOM 500 C CYS A 36 -4.070 -25.912 -3.667 1.00 0.00 C ATOM 501 O CYS A 36 -4.488 -26.928 -4.186 1.00 0.00 O ATOM 502 CB CYS A 36 -4.099 -24.352 -5.621 1.00 0.00 C ATOM 503 SG CYS A 36 -5.566 -23.526 -4.961 1.00 0.00 S ATOM 0 H CYS A 36 -1.963 -25.560 -6.032 1.00 0.00 H new ATOM 0 HA CYS A 36 -2.959 -24.071 -3.814 1.00 0.00 H new ATOM 0 HB2 CYS A 36 -3.513 -23.653 -6.218 1.00 0.00 H new ATOM 0 HB3 CYS A 36 -4.394 -25.166 -6.283 1.00 0.00 H new ATOM 508 N THR A 37 -4.300 -25.652 -2.408 1.00 0.00 N ATOM 509 CA THR A 37 -5.090 -26.613 -1.588 1.00 0.00 C ATOM 510 C THR A 37 -6.548 -26.141 -1.506 1.00 0.00 C ATOM 511 O THR A 37 -6.813 -25.056 -1.027 1.00 0.00 O ATOM 512 CB THR A 37 -4.515 -26.675 -0.173 1.00 0.00 C ATOM 513 OG1 THR A 37 -3.412 -25.785 -0.071 1.00 0.00 O ATOM 514 CG2 THR A 37 -4.056 -28.101 0.134 1.00 0.00 C ATOM 0 H THR A 37 -3.977 -24.820 -1.915 1.00 0.00 H new ATOM 0 HA THR A 37 -5.043 -27.598 -2.051 1.00 0.00 H new ATOM 0 HB THR A 37 -5.283 -26.384 0.543 1.00 0.00 H new ATOM 0 HG1 THR A 37 -3.044 -25.823 0.836 1.00 0.00 H new ATOM 0 HG21 THR A 37 -3.647 -28.142 1.143 1.00 0.00 H new ATOM 0 HG22 THR A 37 -4.905 -28.781 0.059 1.00 0.00 H new ATOM 0 HG23 THR A 37 -3.289 -28.398 -0.581 1.00 0.00 H new ATOM 522 N PRO A 38 -7.452 -26.964 -1.974 1.00 0.00 N ATOM 523 CA PRO A 38 -8.887 -26.635 -1.955 1.00 0.00 C ATOM 524 C PRO A 38 -9.378 -26.507 -0.510 1.00 0.00 C ATOM 525 O PRO A 38 -9.887 -27.447 0.067 1.00 0.00 O ATOM 526 CB PRO A 38 -9.570 -27.820 -2.646 1.00 0.00 C ATOM 527 CG PRO A 38 -8.471 -28.844 -3.027 1.00 0.00 C ATOM 528 CD PRO A 38 -7.122 -28.273 -2.569 1.00 0.00 C ATOM 0 HA PRO A 38 -9.103 -25.689 -2.452 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -10.305 -28.277 -1.983 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -10.106 -27.487 -3.535 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -8.662 -29.805 -2.549 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -8.467 -29.018 -4.103 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -6.641 -28.928 -1.843 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -6.433 -28.165 -3.407 1.00 0.00 H new ATOM 536 N ARG A 39 -9.233 -25.351 0.080 1.00 0.00 N ATOM 537 CA ARG A 39 -9.695 -25.174 1.486 1.00 0.00 C ATOM 538 C ARG A 39 -10.214 -23.748 1.683 1.00 0.00 C ATOM 539 O ARG A 39 -9.531 -22.783 1.402 1.00 0.00 O ATOM 540 CB ARG A 39 -8.530 -25.432 2.450 1.00 0.00 C ATOM 541 CG ARG A 39 -7.201 -25.129 1.753 1.00 0.00 C ATOM 542 CD ARG A 39 -6.064 -25.168 2.776 1.00 0.00 C ATOM 543 NE ARG A 39 -6.367 -26.188 3.819 1.00 0.00 N ATOM 544 CZ ARG A 39 -5.529 -27.164 4.042 1.00 0.00 C ATOM 545 NH1 ARG A 39 -4.245 -26.959 3.936 1.00 0.00 N ATOM 546 NH2 ARG A 39 -5.976 -28.345 4.371 1.00 0.00 N ATOM 0 H ARG A 39 -8.816 -24.525 -0.349 1.00 0.00 H new ATOM 0 HA ARG A 39 -10.497 -25.883 1.691 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -8.636 -24.808 3.338 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -8.547 -26.469 2.785 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -7.018 -25.858 0.963 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -7.243 -24.149 1.278 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -5.123 -25.408 2.281 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -5.941 -24.188 3.236 1.00 0.00 H new ATOM 0 HE ARG A 39 -7.230 -26.124 4.359 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.895 -26.036 3.679 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -3.591 -27.722 4.110 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -6.980 -28.505 4.454 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.322 -29.108 4.545 1.00 0.00 H new