USER MOD reduce.3.24.130724 H: found=0, std=0, add=645, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 646 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 14 HIS : no HD1:sc= -0.777 X(o=-0.78,f=-0.36) USER MOD Single : A 15 LYS NZ :NH3+ 139:sc= 1.12 (180deg=0.072) USER MOD Single : A 19 LYS NZ :NH3+ -168:sc= 0.98 (180deg=0.392) USER MOD Single : A 21 THR OG1 : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0.0471 USER MOD Single : A 31 GLN :FLIP amide:sc=-0.000737 F(o=-0.77,f=-0.00074) USER MOD Single : A 37 SER OG : rot 180:sc= -0.18 USER MOD Single : A 39 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 49 ASN : amide:sc= -0.289 K(o=-0.29,f=-8.6!) USER MOD Single : A 55 THR OG1 : rot -32:sc= 0.535 USER MOD Single : A 57 THR OG1 : rot -95:sc= -0.336! USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= -0.159 USER MOD Single : A 67 THR OG1 : rot -49:sc= 0.539 USER MOD Single : A 70 ASN : amide:sc= 0.558 K(o=0.56,f=-6.1!) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 73 HIS : no HE2:sc= -19.8! C(o=-20!,f=-22!) USER MOD Single : A 79 THR OG1 : rot 84:sc= 1.1 USER MOD ----------------------------------------------------------------- ATOM 99 N GLY A 10 13.315 -0.226 -1.171 1.00 0.00 N ATOM 100 CA GLY A 10 14.116 -0.468 0.015 1.00 0.00 C ATOM 101 C GLY A 10 14.053 0.681 1.001 1.00 0.00 C ATOM 102 O GLY A 10 14.174 0.478 2.210 1.00 0.00 O ATOM 0 HA2 GLY A 10 13.772 -1.380 0.502 1.00 0.00 H new ATOM 0 HA3 GLY A 10 15.153 -0.635 -0.278 1.00 0.00 H new ATOM 106 N LEU A 11 13.867 1.891 0.486 1.00 0.00 N ATOM 107 CA LEU A 11 13.791 3.078 1.330 1.00 0.00 C ATOM 108 C LEU A 11 12.363 3.314 1.812 1.00 0.00 C ATOM 109 O LEU A 11 12.085 4.288 2.512 1.00 0.00 O ATOM 110 CB LEU A 11 14.292 4.305 0.566 1.00 0.00 C ATOM 111 CG LEU A 11 13.312 4.919 -0.434 1.00 0.00 C ATOM 112 CD1 LEU A 11 12.634 3.832 -1.254 1.00 0.00 C ATOM 113 CD2 LEU A 11 12.276 5.769 0.287 1.00 0.00 C ATOM 0 H LEU A 11 13.766 2.076 -0.512 1.00 0.00 H new ATOM 0 HA LEU A 11 14.427 2.915 2.200 1.00 0.00 H new ATOM 0 HB2 LEU A 11 14.569 5.071 1.290 1.00 0.00 H new ATOM 0 HB3 LEU A 11 15.201 4.029 0.031 1.00 0.00 H new ATOM 0 HG LEU A 11 13.872 5.562 -1.113 1.00 0.00 H new ATOM 0 HD11 LEU A 11 11.940 4.288 -1.960 1.00 0.00 H new ATOM 0 HD12 LEU A 11 13.388 3.265 -1.801 1.00 0.00 H new ATOM 0 HD13 LEU A 11 12.088 3.163 -0.590 1.00 0.00 H new ATOM 0 HD21 LEU A 11 11.587 6.198 -0.441 1.00 0.00 H new ATOM 0 HD22 LEU A 11 11.721 5.148 0.990 1.00 0.00 H new ATOM 0 HD23 LEU A 11 12.777 6.571 0.829 1.00 0.00 H new ATOM 125 N LEU A 12 11.461 2.414 1.434 1.00 0.00 N ATOM 126 CA LEU A 12 10.061 2.522 1.829 1.00 0.00 C ATOM 127 C LEU A 12 9.915 2.437 3.345 1.00 0.00 C ATOM 128 O LEU A 12 9.449 3.378 3.988 1.00 0.00 O ATOM 129 CB LEU A 12 9.236 1.419 1.163 1.00 0.00 C ATOM 130 CG LEU A 12 8.705 1.730 -0.236 1.00 0.00 C ATOM 131 CD1 LEU A 12 7.652 2.825 -0.176 1.00 0.00 C ATOM 132 CD2 LEU A 12 9.844 2.133 -1.162 1.00 0.00 C ATOM 0 H LEU A 12 11.674 1.602 0.855 1.00 0.00 H new ATOM 0 HA LEU A 12 9.690 3.493 1.501 1.00 0.00 H new ATOM 0 HB2 LEU A 12 9.849 0.519 1.106 1.00 0.00 H new ATOM 0 HB3 LEU A 12 8.389 1.187 1.808 1.00 0.00 H new ATOM 0 HG LEU A 12 8.240 0.829 -0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 12 7.286 3.033 -1.181 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.823 2.499 0.452 1.00 0.00 H new ATOM 0 HD13 LEU A 12 8.091 3.730 0.244 1.00 0.00 H new ATOM 0 HD21 LEU A 12 9.447 2.351 -2.154 1.00 0.00 H new ATOM 0 HD22 LEU A 12 10.338 3.020 -0.766 1.00 0.00 H new ATOM 0 HD23 LEU A 12 10.563 1.317 -1.230 1.00 0.00 H new ATOM 144 N VAL A 13 10.317 1.304 3.911 1.00 0.00 N ATOM 145 CA VAL A 13 10.234 1.097 5.352 1.00 0.00 C ATOM 146 C VAL A 13 10.789 2.296 6.112 1.00 0.00 C ATOM 147 O VAL A 13 10.319 2.627 7.200 1.00 0.00 O ATOM 148 CB VAL A 13 10.999 -0.169 5.782 1.00 0.00 C ATOM 149 CG1 VAL A 13 10.316 -1.415 5.241 1.00 0.00 C ATOM 150 CG2 VAL A 13 12.446 -0.100 5.318 1.00 0.00 C ATOM 0 H VAL A 13 10.704 0.515 3.393 1.00 0.00 H new ATOM 0 HA VAL A 13 9.178 0.974 5.594 1.00 0.00 H new ATOM 0 HB VAL A 13 10.993 -0.224 6.871 1.00 0.00 H new ATOM 0 HG11 VAL A 13 10.871 -2.299 5.555 1.00 0.00 H new ATOM 0 HG12 VAL A 13 9.298 -1.469 5.627 1.00 0.00 H new ATOM 0 HG13 VAL A 13 10.289 -1.371 4.152 1.00 0.00 H new ATOM 0 HG21 VAL A 13 12.972 -1.002 5.630 1.00 0.00 H new ATOM 0 HG22 VAL A 13 12.476 -0.020 4.231 1.00 0.00 H new ATOM 0 HG23 VAL A 13 12.928 0.772 5.759 1.00 0.00 H new ATOM 160 N HIS A 14 11.794 2.945 5.530 1.00 0.00 N ATOM 161 CA HIS A 14 12.414 4.109 6.153 1.00 0.00 C ATOM 162 C HIS A 14 11.548 5.351 5.964 1.00 0.00 C ATOM 163 O HIS A 14 11.029 5.912 6.929 1.00 0.00 O ATOM 164 CB HIS A 14 13.805 4.348 5.565 1.00 0.00 C ATOM 165 CG HIS A 14 14.201 5.792 5.531 1.00 0.00 C ATOM 166 ND1 HIS A 14 14.628 6.481 6.647 1.00 0.00 N ATOM 167 CD2 HIS A 14 14.235 6.677 4.508 1.00 0.00 C ATOM 168 CE1 HIS A 14 14.905 7.729 6.311 1.00 0.00 C ATOM 169 NE2 HIS A 14 14.676 7.873 5.018 1.00 0.00 N ATOM 0 H HIS A 14 12.195 2.684 4.629 1.00 0.00 H new ATOM 0 HA HIS A 14 12.509 3.912 7.221 1.00 0.00 H new ATOM 0 HB2 HIS A 14 14.538 3.792 6.150 1.00 0.00 H new ATOM 0 HB3 HIS A 14 13.836 3.947 4.552 1.00 0.00 H new ATOM 0 HD2 HIS A 14 13.965 6.479 3.481 1.00 0.00 H new ATOM 0 HE1 HIS A 14 15.258 8.500 6.980 1.00 0.00 H new ATOM 0 HE2 HIS A 14 14.806 8.733 4.485 1.00 0.00 H new ATOM 178 N LYS A 15 11.398 5.777 4.714 1.00 0.00 N ATOM 179 CA LYS A 15 10.595 6.952 4.397 1.00 0.00 C ATOM 180 C LYS A 15 9.147 6.756 4.831 1.00 0.00 C ATOM 181 O LYS A 15 8.488 5.802 4.416 1.00 0.00 O ATOM 182 CB LYS A 15 10.653 7.245 2.896 1.00 0.00 C ATOM 183 CG LYS A 15 9.746 8.384 2.463 1.00 0.00 C ATOM 184 CD LYS A 15 9.379 8.276 0.992 1.00 0.00 C ATOM 185 CE LYS A 15 8.481 9.424 0.556 1.00 0.00 C ATOM 186 NZ LYS A 15 8.402 9.533 -0.927 1.00 0.00 N ATOM 0 H LYS A 15 11.822 5.326 3.904 1.00 0.00 H new ATOM 0 HA LYS A 15 11.007 7.800 4.943 1.00 0.00 H new ATOM 0 HB2 LYS A 15 11.680 7.485 2.621 1.00 0.00 H new ATOM 0 HB3 LYS A 15 10.378 6.344 2.348 1.00 0.00 H new ATOM 0 HG2 LYS A 15 8.839 8.377 3.067 1.00 0.00 H new ATOM 0 HG3 LYS A 15 10.244 9.336 2.646 1.00 0.00 H new ATOM 0 HD2 LYS A 15 10.287 8.273 0.389 1.00 0.00 H new ATOM 0 HD3 LYS A 15 8.873 7.328 0.811 1.00 0.00 H new ATOM 0 HE2 LYS A 15 7.481 9.278 0.963 1.00 0.00 H new ATOM 0 HE3 LYS A 15 8.860 10.359 0.969 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 7.423 9.741 -1.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 9.026 10.299 -1.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 8.702 8.635 -1.358 1.00 0.00 H new ATOM 200 N ALA A 16 8.656 7.664 5.669 1.00 0.00 N ATOM 201 CA ALA A 16 7.284 7.591 6.156 1.00 0.00 C ATOM 202 C ALA A 16 6.315 7.276 5.022 1.00 0.00 C ATOM 203 O ALA A 16 6.452 7.793 3.913 1.00 0.00 O ATOM 204 CB ALA A 16 6.897 8.895 6.838 1.00 0.00 C ATOM 0 H ALA A 16 9.188 8.458 6.024 1.00 0.00 H new ATOM 0 HA ALA A 16 7.225 6.782 6.884 1.00 0.00 H new ATOM 0 HB1 ALA A 16 5.870 8.827 7.197 1.00 0.00 H new ATOM 0 HB2 ALA A 16 7.565 9.077 7.680 1.00 0.00 H new ATOM 0 HB3 ALA A 16 6.979 9.716 6.126 1.00 0.00 H new ATOM 210 N VAL A 17 5.334 6.425 5.307 1.00 0.00 N ATOM 211 CA VAL A 17 4.341 6.041 4.311 1.00 0.00 C ATOM 212 C VAL A 17 3.412 7.205 3.985 1.00 0.00 C ATOM 213 O VAL A 17 2.933 7.333 2.858 1.00 0.00 O ATOM 214 CB VAL A 17 3.498 4.845 4.791 1.00 0.00 C ATOM 215 CG1 VAL A 17 2.426 4.503 3.768 1.00 0.00 C ATOM 216 CG2 VAL A 17 4.388 3.643 5.066 1.00 0.00 C ATOM 0 H VAL A 17 5.206 5.988 6.220 1.00 0.00 H new ATOM 0 HA VAL A 17 4.888 5.753 3.413 1.00 0.00 H new ATOM 0 HB VAL A 17 3.003 5.121 5.722 1.00 0.00 H new ATOM 0 HG11 VAL A 17 1.840 3.656 4.124 1.00 0.00 H new ATOM 0 HG12 VAL A 17 1.771 5.363 3.626 1.00 0.00 H new ATOM 0 HG13 VAL A 17 2.897 4.245 2.820 1.00 0.00 H new ATOM 0 HG21 VAL A 17 3.776 2.807 5.404 1.00 0.00 H new ATOM 0 HG22 VAL A 17 4.913 3.362 4.153 1.00 0.00 H new ATOM 0 HG23 VAL A 17 5.114 3.897 5.838 1.00 0.00 H new ATOM 226 N ASP A 18 3.163 8.052 4.977 1.00 0.00 N ATOM 227 CA ASP A 18 2.292 9.208 4.796 1.00 0.00 C ATOM 228 C ASP A 18 2.918 10.214 3.835 1.00 0.00 C ATOM 229 O ASP A 18 2.308 11.229 3.497 1.00 0.00 O ATOM 230 CB ASP A 18 2.010 9.877 6.142 1.00 0.00 C ATOM 231 CG ASP A 18 3.187 10.689 6.643 1.00 0.00 C ATOM 232 OD1 ASP A 18 4.276 10.106 6.824 1.00 0.00 O ATOM 233 OD2 ASP A 18 3.020 11.908 6.856 1.00 0.00 O ATOM 0 H ASP A 18 3.552 7.960 5.915 1.00 0.00 H new ATOM 0 HA ASP A 18 1.352 8.860 4.368 1.00 0.00 H new ATOM 0 HB2 ASP A 18 1.139 10.526 6.047 1.00 0.00 H new ATOM 0 HB3 ASP A 18 1.759 9.113 6.878 1.00 0.00 H new ATOM 238 N LYS A 19 4.140 9.928 3.400 1.00 0.00 N ATOM 239 CA LYS A 19 4.850 10.806 2.478 1.00 0.00 C ATOM 240 C LYS A 19 5.037 10.135 1.121 1.00 0.00 C ATOM 241 O LYS A 19 5.577 10.734 0.191 1.00 0.00 O ATOM 242 CB LYS A 19 6.212 11.195 3.058 1.00 0.00 C ATOM 243 CG LYS A 19 6.179 12.466 3.889 1.00 0.00 C ATOM 244 CD LYS A 19 5.430 12.259 5.195 1.00 0.00 C ATOM 245 CE LYS A 19 5.800 13.316 6.223 1.00 0.00 C ATOM 246 NZ LYS A 19 5.120 13.084 7.527 1.00 0.00 N ATOM 0 H LYS A 19 4.660 9.094 3.672 1.00 0.00 H new ATOM 0 HA LYS A 19 4.250 11.706 2.339 1.00 0.00 H new ATOM 0 HB2 LYS A 19 6.582 10.377 3.676 1.00 0.00 H new ATOM 0 HB3 LYS A 19 6.922 11.323 2.241 1.00 0.00 H new ATOM 0 HG2 LYS A 19 7.198 12.790 4.100 1.00 0.00 H new ATOM 0 HG3 LYS A 19 5.703 13.263 3.318 1.00 0.00 H new ATOM 0 HD2 LYS A 19 4.356 12.291 5.009 1.00 0.00 H new ATOM 0 HD3 LYS A 19 5.655 11.269 5.592 1.00 0.00 H new ATOM 0 HE2 LYS A 19 6.880 13.316 6.372 1.00 0.00 H new ATOM 0 HE3 LYS A 19 5.531 14.302 5.843 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 5.232 13.923 8.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 4.108 12.907 7.364 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 5.544 12.259 7.998 1.00 0.00 H new ATOM 260 N TRP A 20 4.586 8.890 1.015 1.00 0.00 N ATOM 261 CA TRP A 20 4.702 8.139 -0.229 1.00 0.00 C ATOM 262 C TRP A 20 3.868 8.780 -1.333 1.00 0.00 C ATOM 263 O TRP A 20 2.987 9.598 -1.064 1.00 0.00 O ATOM 264 CB TRP A 20 4.261 6.690 -0.017 1.00 0.00 C ATOM 265 CG TRP A 20 5.176 5.917 0.884 1.00 0.00 C ATOM 266 CD1 TRP A 20 6.251 6.402 1.572 1.00 0.00 C ATOM 267 CD2 TRP A 20 5.096 4.521 1.193 1.00 0.00 C ATOM 268 NE1 TRP A 20 6.845 5.392 2.290 1.00 0.00 N ATOM 269 CE2 TRP A 20 6.155 4.229 2.076 1.00 0.00 C ATOM 270 CE3 TRP A 20 4.233 3.490 0.813 1.00 0.00 C ATOM 271 CZ2 TRP A 20 6.371 2.949 2.580 1.00 0.00 C ATOM 272 CZ3 TRP A 20 4.449 2.221 1.314 1.00 0.00 C ATOM 273 CH2 TRP A 20 5.510 1.959 2.190 1.00 0.00 C ATOM 0 H TRP A 20 4.137 8.380 1.775 1.00 0.00 H new ATOM 0 HA TRP A 20 5.748 8.153 -0.535 1.00 0.00 H new ATOM 0 HB2 TRP A 20 3.256 6.682 0.404 1.00 0.00 H new ATOM 0 HB3 TRP A 20 4.206 6.189 -0.984 1.00 0.00 H new ATOM 0 HD1 TRP A 20 6.585 7.429 1.554 1.00 0.00 H new ATOM 0 HE1 TRP A 20 7.667 5.492 2.886 1.00 0.00 H new ATOM 0 HE3 TRP A 20 3.411 3.682 0.139 1.00 0.00 H new ATOM 0 HZ2 TRP A 20 7.189 2.745 3.255 1.00 0.00 H new ATOM 0 HZ3 TRP A 20 3.788 1.417 1.025 1.00 0.00 H new ATOM 0 HH2 TRP A 20 5.652 0.956 2.565 1.00 0.00 H new ATOM 284 N THR A 21 4.150 8.405 -2.576 1.00 0.00 N ATOM 285 CA THR A 21 3.426 8.945 -3.720 1.00 0.00 C ATOM 286 C THR A 21 2.719 7.839 -4.495 1.00 0.00 C ATOM 287 O THR A 21 3.131 6.679 -4.458 1.00 0.00 O ATOM 288 CB THR A 21 4.368 9.703 -4.675 1.00 0.00 C ATOM 289 OG1 THR A 21 5.510 8.895 -4.979 1.00 0.00 O ATOM 290 CG2 THR A 21 4.820 11.018 -4.057 1.00 0.00 C ATOM 0 H THR A 21 4.875 7.729 -2.817 1.00 0.00 H new ATOM 0 HA THR A 21 2.685 9.640 -3.325 1.00 0.00 H new ATOM 0 HB THR A 21 3.822 9.920 -5.593 1.00 0.00 H new ATOM 0 HG1 THR A 21 6.103 9.383 -5.588 1.00 0.00 H new ATOM 0 HG21 THR A 21 5.484 11.536 -4.749 1.00 0.00 H new ATOM 0 HG22 THR A 21 3.950 11.642 -3.853 1.00 0.00 H new ATOM 0 HG23 THR A 21 5.350 10.819 -3.126 1.00 0.00 H new ATOM 298 N THR A 22 1.651 8.204 -5.199 1.00 0.00 N ATOM 299 CA THR A 22 0.887 7.243 -5.982 1.00 0.00 C ATOM 300 C THR A 22 1.802 6.210 -6.631 1.00 0.00 C ATOM 301 O THR A 22 1.397 5.074 -6.871 1.00 0.00 O ATOM 302 CB THR A 22 0.061 7.942 -7.079 1.00 0.00 C ATOM 303 OG1 THR A 22 -0.396 9.215 -6.611 1.00 0.00 O ATOM 304 CG2 THR A 22 -1.130 7.088 -7.487 1.00 0.00 C ATOM 0 H THR A 22 1.296 9.159 -5.242 1.00 0.00 H new ATOM 0 HA THR A 22 0.209 6.741 -5.292 1.00 0.00 H new ATOM 0 HB THR A 22 0.701 8.084 -7.950 1.00 0.00 H new ATOM 0 HG1 THR A 22 -0.919 9.654 -7.314 1.00 0.00 H new ATOM 0 HG21 THR A 22 -1.698 7.602 -8.262 1.00 0.00 H new ATOM 0 HG22 THR A 22 -0.777 6.131 -7.870 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.770 6.918 -6.621 1.00 0.00 H new ATOM 312 N GLU A 23 3.037 6.614 -6.911 1.00 0.00 N ATOM 313 CA GLU A 23 4.009 5.722 -7.532 1.00 0.00 C ATOM 314 C GLU A 23 4.573 4.737 -6.513 1.00 0.00 C ATOM 315 O GLU A 23 4.526 3.524 -6.716 1.00 0.00 O ATOM 316 CB GLU A 23 5.147 6.530 -8.161 1.00 0.00 C ATOM 317 CG GLU A 23 5.777 5.856 -9.368 1.00 0.00 C ATOM 318 CD GLU A 23 6.545 6.827 -10.244 1.00 0.00 C ATOM 319 OE1 GLU A 23 7.067 7.825 -9.706 1.00 0.00 O ATOM 320 OE2 GLU A 23 6.624 6.586 -11.467 1.00 0.00 O ATOM 0 H GLU A 23 3.388 7.552 -6.718 1.00 0.00 H new ATOM 0 HA GLU A 23 3.499 5.158 -8.313 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.766 7.507 -8.459 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.917 6.703 -7.409 1.00 0.00 H new ATOM 0 HG2 GLU A 23 6.450 5.068 -9.029 1.00 0.00 H new ATOM 0 HG3 GLU A 23 4.997 5.377 -9.960 1.00 0.00 H new ATOM 327 N GLU A 24 5.105 5.268 -5.417 1.00 0.00 N ATOM 328 CA GLU A 24 5.680 4.436 -4.366 1.00 0.00 C ATOM 329 C GLU A 24 4.621 3.520 -3.758 1.00 0.00 C ATOM 330 O GLU A 24 4.878 2.346 -3.494 1.00 0.00 O ATOM 331 CB GLU A 24 6.302 5.310 -3.275 1.00 0.00 C ATOM 332 CG GLU A 24 7.487 6.131 -3.755 1.00 0.00 C ATOM 333 CD GLU A 24 8.478 6.429 -2.647 1.00 0.00 C ATOM 334 OE1 GLU A 24 8.605 5.594 -1.726 1.00 0.00 O ATOM 335 OE2 GLU A 24 9.125 7.495 -2.699 1.00 0.00 O ATOM 0 H GLU A 24 5.150 6.270 -5.233 1.00 0.00 H new ATOM 0 HA GLU A 24 6.458 3.817 -4.812 1.00 0.00 H new ATOM 0 HB2 GLU A 24 5.540 5.983 -2.882 1.00 0.00 H new ATOM 0 HB3 GLU A 24 6.622 4.674 -2.450 1.00 0.00 H new ATOM 0 HG2 GLU A 24 7.995 5.595 -4.557 1.00 0.00 H new ATOM 0 HG3 GLU A 24 7.127 7.069 -4.177 1.00 0.00 H new ATOM 342 N VAL A 25 3.430 4.068 -3.537 1.00 0.00 N ATOM 343 CA VAL A 25 2.332 3.302 -2.961 1.00 0.00 C ATOM 344 C VAL A 25 2.168 1.959 -3.665 1.00 0.00 C ATOM 345 O VAL A 25 2.125 0.910 -3.023 1.00 0.00 O ATOM 346 CB VAL A 25 1.003 4.077 -3.043 1.00 0.00 C ATOM 347 CG1 VAL A 25 -0.168 3.165 -2.710 1.00 0.00 C ATOM 348 CG2 VAL A 25 1.032 5.282 -2.115 1.00 0.00 C ATOM 0 H VAL A 25 3.201 5.039 -3.748 1.00 0.00 H new ATOM 0 HA VAL A 25 2.581 3.132 -1.914 1.00 0.00 H new ATOM 0 HB VAL A 25 0.874 4.436 -4.064 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -1.098 3.730 -2.773 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -0.197 2.337 -3.418 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -0.049 2.774 -1.700 1.00 0.00 H new ATOM 0 HG21 VAL A 25 0.086 5.818 -2.185 1.00 0.00 H new ATOM 0 HG22 VAL A 25 1.184 4.947 -1.089 1.00 0.00 H new ATOM 0 HG23 VAL A 25 1.847 5.945 -2.405 1.00 0.00 H new ATOM 358 N VAL A 26 2.079 2.000 -4.991 1.00 0.00 N ATOM 359 CA VAL A 26 1.922 0.787 -5.784 1.00 0.00 C ATOM 360 C VAL A 26 3.180 -0.073 -5.728 1.00 0.00 C ATOM 361 O VAL A 26 3.106 -1.302 -5.741 1.00 0.00 O ATOM 362 CB VAL A 26 1.603 1.115 -7.254 1.00 0.00 C ATOM 363 CG1 VAL A 26 1.529 -0.159 -8.082 1.00 0.00 C ATOM 364 CG2 VAL A 26 0.305 1.901 -7.355 1.00 0.00 C ATOM 0 H VAL A 26 2.113 2.860 -5.538 1.00 0.00 H new ATOM 0 HA VAL A 26 1.087 0.233 -5.354 1.00 0.00 H new ATOM 0 HB VAL A 26 2.408 1.733 -7.652 1.00 0.00 H new ATOM 0 HG11 VAL A 26 1.303 0.093 -9.118 1.00 0.00 H new ATOM 0 HG12 VAL A 26 2.486 -0.679 -8.036 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.745 -0.805 -7.686 1.00 0.00 H new ATOM 0 HG21 VAL A 26 0.095 2.124 -8.401 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.511 1.310 -6.939 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.399 2.833 -6.797 1.00 0.00 H new ATOM 374 N LEU A 27 4.334 0.581 -5.664 1.00 0.00 N ATOM 375 CA LEU A 27 5.611 -0.123 -5.605 1.00 0.00 C ATOM 376 C LEU A 27 5.682 -1.019 -4.373 1.00 0.00 C ATOM 377 O LEU A 27 5.930 -2.220 -4.480 1.00 0.00 O ATOM 378 CB LEU A 27 6.768 0.878 -5.590 1.00 0.00 C ATOM 379 CG LEU A 27 7.326 1.280 -6.956 1.00 0.00 C ATOM 380 CD1 LEU A 27 8.439 2.304 -6.797 1.00 0.00 C ATOM 381 CD2 LEU A 27 7.828 0.056 -7.707 1.00 0.00 C ATOM 0 H LEU A 27 4.412 1.598 -5.652 1.00 0.00 H new ATOM 0 HA LEU A 27 5.694 -0.750 -6.493 1.00 0.00 H new ATOM 0 HB2 LEU A 27 6.435 1.780 -5.076 1.00 0.00 H new ATOM 0 HB3 LEU A 27 7.580 0.455 -4.998 1.00 0.00 H new ATOM 0 HG LEU A 27 6.523 1.734 -7.537 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.824 2.578 -7.779 1.00 0.00 H new ATOM 0 HD12 LEU A 27 8.048 3.192 -6.299 1.00 0.00 H new ATOM 0 HD13 LEU A 27 9.243 1.877 -6.198 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.222 0.360 -8.677 1.00 0.00 H new ATOM 0 HD22 LEU A 27 8.617 -0.426 -7.130 1.00 0.00 H new ATOM 0 HD23 LEU A 27 7.005 -0.644 -7.853 1.00 0.00 H new ATOM 393 N TRP A 28 5.460 -0.427 -3.205 1.00 0.00 N ATOM 394 CA TRP A 28 5.497 -1.173 -1.951 1.00 0.00 C ATOM 395 C TRP A 28 4.537 -2.356 -1.993 1.00 0.00 C ATOM 396 O TRP A 28 4.870 -3.455 -1.548 1.00 0.00 O ATOM 397 CB TRP A 28 5.146 -0.256 -0.778 1.00 0.00 C ATOM 398 CG TRP A 28 4.763 -1.001 0.464 1.00 0.00 C ATOM 399 CD1 TRP A 28 5.608 -1.535 1.394 1.00 0.00 C ATOM 400 CD2 TRP A 28 3.435 -1.297 0.910 1.00 0.00 C ATOM 401 NE1 TRP A 28 4.886 -2.145 2.391 1.00 0.00 N ATOM 402 CE2 TRP A 28 3.551 -2.012 2.118 1.00 0.00 C ATOM 403 CE3 TRP A 28 2.159 -1.027 0.407 1.00 0.00 C ATOM 404 CZ2 TRP A 28 2.439 -2.459 2.828 1.00 0.00 C ATOM 405 CZ3 TRP A 28 1.057 -1.471 1.113 1.00 0.00 C ATOM 406 CH2 TRP A 28 1.203 -2.180 2.313 1.00 0.00 C ATOM 0 H TRP A 28 5.253 0.566 -3.099 1.00 0.00 H new ATOM 0 HA TRP A 28 6.509 -1.555 -1.814 1.00 0.00 H new ATOM 0 HB2 TRP A 28 6.000 0.386 -0.560 1.00 0.00 H new ATOM 0 HB3 TRP A 28 4.323 0.397 -1.070 1.00 0.00 H new ATOM 0 HD1 TRP A 28 6.686 -1.485 1.352 1.00 0.00 H new ATOM 0 HE1 TRP A 28 5.281 -2.620 3.203 1.00 0.00 H new ATOM 0 HE3 TRP A 28 2.037 -0.481 -0.517 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 2.549 -3.006 3.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 0.066 -1.268 0.733 1.00 0.00 H new ATOM 0 HH2 TRP A 28 0.322 -2.513 2.842 1.00 0.00 H new ATOM 417 N LEU A 29 3.344 -2.125 -2.531 1.00 0.00 N ATOM 418 CA LEU A 29 2.334 -3.173 -2.631 1.00 0.00 C ATOM 419 C LEU A 29 2.702 -4.182 -3.714 1.00 0.00 C ATOM 420 O LEU A 29 2.289 -5.340 -3.662 1.00 0.00 O ATOM 421 CB LEU A 29 0.964 -2.561 -2.931 1.00 0.00 C ATOM 422 CG LEU A 29 -0.155 -3.551 -3.258 1.00 0.00 C ATOM 423 CD1 LEU A 29 -0.738 -4.138 -1.982 1.00 0.00 C ATOM 424 CD2 LEU A 29 -1.242 -2.873 -4.080 1.00 0.00 C ATOM 0 H LEU A 29 3.053 -1.222 -2.904 1.00 0.00 H new ATOM 0 HA LEU A 29 2.290 -3.694 -1.675 1.00 0.00 H new ATOM 0 HB2 LEU A 29 0.657 -1.967 -2.070 1.00 0.00 H new ATOM 0 HB3 LEU A 29 1.071 -1.874 -3.770 1.00 0.00 H new ATOM 0 HG LEU A 29 0.266 -4.365 -3.848 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -1.533 -4.840 -2.234 1.00 0.00 H new ATOM 0 HD12 LEU A 29 0.045 -4.659 -1.430 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -1.144 -3.336 -1.365 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -2.030 -3.592 -4.304 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -1.660 -2.040 -3.514 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -0.815 -2.501 -5.011 1.00 0.00 H new ATOM 436 N GLU A 30 3.483 -3.734 -4.692 1.00 0.00 N ATOM 437 CA GLU A 30 3.907 -4.599 -5.787 1.00 0.00 C ATOM 438 C GLU A 30 5.044 -5.516 -5.346 1.00 0.00 C ATOM 439 O GLU A 30 5.648 -6.209 -6.164 1.00 0.00 O ATOM 440 CB GLU A 30 4.350 -3.760 -6.987 1.00 0.00 C ATOM 441 CG GLU A 30 3.219 -3.420 -7.943 1.00 0.00 C ATOM 442 CD GLU A 30 3.719 -2.952 -9.296 1.00 0.00 C ATOM 443 OE1 GLU A 30 4.080 -1.762 -9.416 1.00 0.00 O ATOM 444 OE2 GLU A 30 3.749 -3.775 -10.235 1.00 0.00 O ATOM 0 H GLU A 30 3.835 -2.778 -4.749 1.00 0.00 H new ATOM 0 HA GLU A 30 3.057 -5.216 -6.079 1.00 0.00 H new ATOM 0 HB2 GLU A 30 4.800 -2.835 -6.627 1.00 0.00 H new ATOM 0 HB3 GLU A 30 5.124 -4.300 -7.531 1.00 0.00 H new ATOM 0 HG2 GLU A 30 2.586 -4.297 -8.077 1.00 0.00 H new ATOM 0 HG3 GLU A 30 2.596 -2.642 -7.501 1.00 0.00 H new ATOM 451 N GLN A 31 5.330 -5.512 -4.048 1.00 0.00 N ATOM 452 CA GLN A 31 6.395 -6.342 -3.498 1.00 0.00 C ATOM 453 C GLN A 31 5.824 -7.444 -2.612 1.00 0.00 C ATOM 454 O GLN A 31 6.399 -8.529 -2.505 1.00 0.00 O ATOM 455 CB GLN A 31 7.377 -5.485 -2.698 1.00 0.00 C ATOM 456 CG GLN A 31 8.368 -4.725 -3.564 1.00 0.00 C ATOM 457 CD GLN A 31 9.247 -3.788 -2.761 1.00 0.00 C ATOM 458 OE1 GLN A 31 8.754 -2.580 -2.512 1.00 0.00 O flip ATOM 459 NE2 GLN A 31 10.358 -4.144 -2.367 1.00 0.00 N flip ATOM 0 H GLN A 31 4.839 -4.943 -3.358 1.00 0.00 H new ATOM 0 HA GLN A 31 6.924 -6.808 -4.329 1.00 0.00 H new ATOM 0 HB2 GLN A 31 6.815 -4.773 -2.093 1.00 0.00 H new ATOM 0 HB3 GLN A 31 7.927 -6.125 -2.008 1.00 0.00 H new ATOM 0 HG2 GLN A 31 8.996 -5.436 -4.100 1.00 0.00 H new ATOM 0 HG3 GLN A 31 7.824 -4.152 -4.315 1.00 0.00 H new ATOM 0 HE21 GLN A 31 10.699 -5.081 -2.581 1.00 0.00 H new ATOM 0 HE22 GLN A 31 10.938 -3.501 -1.827 1.00 0.00 H new ATOM 468 N LEU A 32 4.692 -7.160 -1.979 1.00 0.00 N ATOM 469 CA LEU A 32 4.043 -8.128 -1.101 1.00 0.00 C ATOM 470 C LEU A 32 3.662 -9.390 -1.868 1.00 0.00 C ATOM 471 O LEU A 32 3.620 -10.483 -1.305 1.00 0.00 O ATOM 472 CB LEU A 32 2.797 -7.511 -0.462 1.00 0.00 C ATOM 473 CG LEU A 32 2.909 -6.041 -0.055 1.00 0.00 C ATOM 474 CD1 LEU A 32 1.674 -5.605 0.718 1.00 0.00 C ATOM 475 CD2 LEU A 32 4.167 -5.811 0.770 1.00 0.00 C ATOM 0 H LEU A 32 4.204 -6.268 -2.057 1.00 0.00 H new ATOM 0 HA LEU A 32 4.750 -8.401 -0.317 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.967 -7.611 -1.161 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.541 -8.094 0.423 1.00 0.00 H new ATOM 0 HG LEU A 32 2.977 -5.437 -0.960 1.00 0.00 H new ATOM 0 HD11 LEU A 32 1.772 -4.556 0.999 1.00 0.00 H new ATOM 0 HD12 LEU A 32 0.790 -5.732 0.093 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.574 -6.214 1.617 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.231 -4.760 1.051 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.130 -6.425 1.670 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.043 -6.083 0.181 1.00 0.00 H new ATOM 487 N GLY A 33 3.388 -9.231 -3.160 1.00 0.00 N ATOM 488 CA GLY A 33 3.017 -10.367 -3.984 1.00 0.00 C ATOM 489 C GLY A 33 2.686 -9.966 -5.408 1.00 0.00 C ATOM 490 O GLY A 33 2.481 -8.791 -5.713 1.00 0.00 O ATOM 0 H GLY A 33 3.416 -8.337 -3.650 1.00 0.00 H new ATOM 0 HA2 GLY A 33 3.835 -11.088 -3.993 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.156 -10.868 -3.541 1.00 0.00 H new ATOM 494 N PRO A 34 2.632 -10.958 -6.309 1.00 0.00 N ATOM 495 CA PRO A 34 2.326 -10.727 -7.724 1.00 0.00 C ATOM 496 C PRO A 34 0.873 -10.317 -7.943 1.00 0.00 C ATOM 497 O PRO A 34 0.548 -9.652 -8.926 1.00 0.00 O ATOM 498 CB PRO A 34 2.602 -12.085 -8.373 1.00 0.00 C ATOM 499 CG PRO A 34 2.420 -13.075 -7.274 1.00 0.00 C ATOM 500 CD PRO A 34 2.866 -12.382 -6.016 1.00 0.00 C ATOM 0 HA PRO A 34 2.917 -9.912 -8.141 1.00 0.00 H new ATOM 0 HB2 PRO A 34 1.914 -12.277 -9.197 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.611 -12.130 -8.783 1.00 0.00 H new ATOM 0 HG2 PRO A 34 1.379 -13.388 -7.199 1.00 0.00 H new ATOM 0 HG3 PRO A 34 3.011 -13.973 -7.456 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.293 -12.713 -5.150 1.00 0.00 H new ATOM 0 HD3 PRO A 34 3.916 -12.580 -5.799 1.00 0.00 H new ATOM 508 N TRP A 35 0.005 -10.718 -7.021 1.00 0.00 N ATOM 509 CA TRP A 35 -1.413 -10.392 -7.114 1.00 0.00 C ATOM 510 C TRP A 35 -1.637 -8.890 -6.969 1.00 0.00 C ATOM 511 O TRP A 35 -2.694 -8.374 -7.330 1.00 0.00 O ATOM 512 CB TRP A 35 -2.202 -11.143 -6.040 1.00 0.00 C ATOM 513 CG TRP A 35 -1.569 -11.077 -4.683 1.00 0.00 C ATOM 514 CD1 TRP A 35 -0.974 -12.102 -4.005 1.00 0.00 C ATOM 515 CD2 TRP A 35 -1.471 -9.924 -3.839 1.00 0.00 C ATOM 516 NE1 TRP A 35 -0.512 -11.656 -2.790 1.00 0.00 N ATOM 517 CE2 TRP A 35 -0.804 -10.324 -2.665 1.00 0.00 C ATOM 518 CE3 TRP A 35 -1.880 -8.594 -3.962 1.00 0.00 C ATOM 519 CZ2 TRP A 35 -0.539 -9.440 -1.622 1.00 0.00 C ATOM 520 CZ3 TRP A 35 -1.617 -7.718 -2.926 1.00 0.00 C ATOM 521 CH2 TRP A 35 -0.951 -8.143 -1.769 1.00 0.00 C ATOM 0 H TRP A 35 0.258 -11.269 -6.201 1.00 0.00 H new ATOM 0 HA TRP A 35 -1.767 -10.701 -8.098 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -3.209 -10.730 -5.984 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -2.302 -12.187 -6.336 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -0.880 -13.114 -4.370 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -0.030 -12.225 -2.094 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -2.393 -8.256 -4.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -0.027 -9.766 -0.729 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -1.930 -6.688 -3.010 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -0.759 -7.433 -0.978 1.00 0.00 H new ATOM 532 N ALA A 36 -0.635 -8.196 -6.440 1.00 0.00 N ATOM 533 CA ALA A 36 -0.723 -6.753 -6.250 1.00 0.00 C ATOM 534 C ALA A 36 -1.112 -6.052 -7.547 1.00 0.00 C ATOM 535 O ALA A 36 -1.893 -5.099 -7.538 1.00 0.00 O ATOM 536 CB ALA A 36 0.599 -6.208 -5.730 1.00 0.00 C ATOM 0 H ALA A 36 0.247 -8.609 -6.136 1.00 0.00 H new ATOM 0 HA ALA A 36 -1.501 -6.555 -5.513 1.00 0.00 H new ATOM 0 HB1 ALA A 36 0.519 -5.130 -5.593 1.00 0.00 H new ATOM 0 HB2 ALA A 36 0.837 -6.679 -4.776 1.00 0.00 H new ATOM 0 HB3 ALA A 36 1.390 -6.425 -6.448 1.00 0.00 H new ATOM 542 N SER A 37 -0.564 -6.528 -8.660 1.00 0.00 N ATOM 543 CA SER A 37 -0.851 -5.943 -9.964 1.00 0.00 C ATOM 544 C SER A 37 -2.343 -6.011 -10.274 1.00 0.00 C ATOM 545 O SER A 37 -2.823 -5.385 -11.220 1.00 0.00 O ATOM 546 CB SER A 37 -0.058 -6.664 -11.056 1.00 0.00 C ATOM 547 OG SER A 37 0.055 -5.862 -12.219 1.00 0.00 O ATOM 0 H SER A 37 0.081 -7.317 -8.685 1.00 0.00 H new ATOM 0 HA SER A 37 -0.551 -4.896 -9.938 1.00 0.00 H new ATOM 0 HB2 SER A 37 0.936 -6.912 -10.684 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.549 -7.605 -11.305 1.00 0.00 H new ATOM 0 HG SER A 37 0.567 -6.345 -12.901 1.00 0.00 H new ATOM 553 N LEU A 38 -3.073 -6.777 -9.470 1.00 0.00 N ATOM 554 CA LEU A 38 -4.512 -6.929 -9.657 1.00 0.00 C ATOM 555 C LEU A 38 -5.271 -5.786 -8.991 1.00 0.00 C ATOM 556 O LEU A 38 -6.433 -5.532 -9.307 1.00 0.00 O ATOM 557 CB LEU A 38 -4.981 -8.269 -9.087 1.00 0.00 C ATOM 558 CG LEU A 38 -4.305 -9.516 -9.659 1.00 0.00 C ATOM 559 CD1 LEU A 38 -4.499 -10.703 -8.729 1.00 0.00 C ATOM 560 CD2 LEU A 38 -4.848 -9.828 -11.046 1.00 0.00 C ATOM 0 H LEU A 38 -2.692 -7.302 -8.683 1.00 0.00 H new ATOM 0 HA LEU A 38 -4.720 -6.904 -10.727 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -4.823 -8.257 -8.009 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -6.055 -8.355 -9.251 1.00 0.00 H new ATOM 0 HG LEU A 38 -3.236 -9.319 -9.745 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -4.011 -11.581 -9.153 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -4.061 -10.479 -7.756 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -5.564 -10.902 -8.610 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -4.356 -10.718 -11.438 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -5.922 -10.004 -10.985 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -4.656 -8.985 -11.710 1.00 0.00 H new ATOM 572 N TYR A 39 -4.606 -5.100 -8.068 1.00 0.00 N ATOM 573 CA TYR A 39 -5.218 -3.984 -7.357 1.00 0.00 C ATOM 574 C TYR A 39 -4.541 -2.667 -7.725 1.00 0.00 C ATOM 575 O TYR A 39 -5.180 -1.615 -7.753 1.00 0.00 O ATOM 576 CB TYR A 39 -5.136 -4.208 -5.846 1.00 0.00 C ATOM 577 CG TYR A 39 -5.796 -5.488 -5.387 1.00 0.00 C ATOM 578 CD1 TYR A 39 -5.104 -6.693 -5.399 1.00 0.00 C ATOM 579 CD2 TYR A 39 -7.113 -5.493 -4.943 1.00 0.00 C ATOM 580 CE1 TYR A 39 -5.704 -7.865 -4.981 1.00 0.00 C ATOM 581 CE2 TYR A 39 -7.720 -6.660 -4.522 1.00 0.00 C ATOM 582 CZ TYR A 39 -7.012 -7.844 -4.543 1.00 0.00 C ATOM 583 OH TYR A 39 -7.613 -9.009 -4.126 1.00 0.00 O ATOM 0 H TYR A 39 -3.643 -5.297 -7.795 1.00 0.00 H new ATOM 0 HA TYR A 39 -6.266 -3.928 -7.653 1.00 0.00 H new ATOM 0 HB2 TYR A 39 -4.088 -4.221 -5.546 1.00 0.00 H new ATOM 0 HB3 TYR A 39 -5.603 -3.365 -5.336 1.00 0.00 H new ATOM 0 HD1 TYR A 39 -4.080 -6.714 -5.741 1.00 0.00 H new ATOM 0 HD2 TYR A 39 -7.671 -4.569 -4.927 1.00 0.00 H new ATOM 0 HE1 TYR A 39 -5.152 -8.793 -4.997 1.00 0.00 H new ATOM 0 HE2 TYR A 39 -8.744 -6.646 -4.178 1.00 0.00 H new ATOM 0 HH TYR A 39 -8.534 -8.821 -3.848 1.00 0.00 H new ATOM 593 N ARG A 40 -3.244 -2.734 -8.007 1.00 0.00 N ATOM 594 CA ARG A 40 -2.479 -1.548 -8.372 1.00 0.00 C ATOM 595 C ARG A 40 -3.311 -0.612 -9.245 1.00 0.00 C ATOM 596 O ARG A 40 -3.352 0.596 -9.013 1.00 0.00 O ATOM 597 CB ARG A 40 -1.200 -1.947 -9.110 1.00 0.00 C ATOM 598 CG ARG A 40 -1.422 -2.292 -10.573 1.00 0.00 C ATOM 599 CD ARG A 40 -0.138 -2.767 -11.235 1.00 0.00 C ATOM 600 NE ARG A 40 0.626 -1.660 -11.805 1.00 0.00 N ATOM 601 CZ ARG A 40 1.597 -1.820 -12.697 1.00 0.00 C ATOM 602 NH1 ARG A 40 1.920 -3.034 -13.120 1.00 0.00 N ATOM 603 NH2 ARG A 40 2.246 -0.763 -13.169 1.00 0.00 N ATOM 0 H ARG A 40 -2.701 -3.597 -7.990 1.00 0.00 H new ATOM 0 HA ARG A 40 -2.213 -1.022 -7.455 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -0.482 -1.129 -9.043 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -0.753 -2.805 -8.607 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -2.183 -3.068 -10.653 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -1.802 -1.417 -11.100 1.00 0.00 H new ATOM 0 HD2 ARG A 40 0.475 -3.291 -10.502 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -0.379 -3.484 -12.020 1.00 0.00 H new ATOM 0 HE ARG A 40 0.402 -0.712 -11.501 1.00 0.00 H new ATOM 0 HH11 ARG A 40 1.422 -3.849 -12.760 1.00 0.00 H new ATOM 0 HH12 ARG A 40 2.666 -3.154 -13.805 1.00 0.00 H new ATOM 0 HH21 ARG A 40 1.999 0.173 -12.847 1.00 0.00 H new ATOM 0 HH22 ARG A 40 2.992 -0.886 -13.854 1.00 0.00 H new ATOM 617 N ASP A 41 -3.971 -1.179 -10.249 1.00 0.00 N ATOM 618 CA ASP A 41 -4.802 -0.396 -11.156 1.00 0.00 C ATOM 619 C ASP A 41 -5.702 0.560 -10.380 1.00 0.00 C ATOM 620 O ASP A 41 -5.842 1.728 -10.743 1.00 0.00 O ATOM 621 CB ASP A 41 -5.652 -1.321 -12.029 1.00 0.00 C ATOM 622 CG ASP A 41 -4.838 -2.011 -13.106 1.00 0.00 C ATOM 623 OD1 ASP A 41 -4.286 -1.305 -13.976 1.00 0.00 O ATOM 624 OD2 ASP A 41 -4.752 -3.256 -13.078 1.00 0.00 O ATOM 0 H ASP A 41 -3.947 -2.178 -10.455 1.00 0.00 H new ATOM 0 HA ASP A 41 -4.144 0.192 -11.796 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.128 -2.073 -11.400 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.450 -0.743 -12.495 1.00 0.00 H new ATOM 629 N ARG A 42 -6.311 0.056 -9.311 1.00 0.00 N ATOM 630 CA ARG A 42 -7.199 0.865 -8.485 1.00 0.00 C ATOM 631 C ARG A 42 -6.418 1.948 -7.746 1.00 0.00 C ATOM 632 O ARG A 42 -6.899 3.068 -7.576 1.00 0.00 O ATOM 633 CB ARG A 42 -7.942 -0.018 -7.482 1.00 0.00 C ATOM 634 CG ARG A 42 -8.612 -1.228 -8.113 1.00 0.00 C ATOM 635 CD ARG A 42 -9.660 -1.830 -7.191 1.00 0.00 C ATOM 636 NE ARG A 42 -10.499 -2.807 -7.879 1.00 0.00 N ATOM 637 CZ ARG A 42 -11.435 -2.479 -8.762 1.00 0.00 C ATOM 638 NH1 ARG A 42 -11.651 -1.206 -9.063 1.00 0.00 N ATOM 639 NH2 ARG A 42 -12.158 -3.426 -9.347 1.00 0.00 N ATOM 0 H ARG A 42 -6.205 -0.909 -8.997 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.924 1.348 -9.140 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.240 -0.358 -6.721 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -8.698 0.581 -6.974 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -9.078 -0.937 -9.054 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -7.859 -1.980 -8.349 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.166 -2.308 -6.345 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -10.287 -1.035 -6.787 1.00 0.00 H new ATOM 0 HE ARG A 42 -10.358 -3.795 -7.670 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.097 -0.475 -8.616 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -12.371 -0.957 -9.742 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.995 -4.407 -9.118 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.877 -3.173 -10.025 1.00 0.00 H new ATOM 653 N PHE A 43 -5.211 1.605 -7.308 1.00 0.00 N ATOM 654 CA PHE A 43 -4.364 2.546 -6.585 1.00 0.00 C ATOM 655 C PHE A 43 -4.016 3.747 -7.461 1.00 0.00 C ATOM 656 O PHE A 43 -4.057 4.892 -7.009 1.00 0.00 O ATOM 657 CB PHE A 43 -3.083 1.855 -6.115 1.00 0.00 C ATOM 658 CG PHE A 43 -3.301 0.901 -4.975 1.00 0.00 C ATOM 659 CD1 PHE A 43 -3.704 -0.403 -5.213 1.00 0.00 C ATOM 660 CD2 PHE A 43 -3.102 1.308 -3.666 1.00 0.00 C ATOM 661 CE1 PHE A 43 -3.905 -1.283 -4.167 1.00 0.00 C ATOM 662 CE2 PHE A 43 -3.301 0.433 -2.615 1.00 0.00 C ATOM 663 CZ PHE A 43 -3.703 -0.865 -2.866 1.00 0.00 C ATOM 0 H PHE A 43 -4.798 0.682 -7.441 1.00 0.00 H new ATOM 0 HA PHE A 43 -4.917 2.900 -5.715 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -2.643 1.314 -6.953 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -2.361 2.613 -5.811 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -3.863 -0.736 -6.228 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -2.788 2.321 -3.464 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.220 -2.297 -4.366 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -3.143 0.763 -1.599 1.00 0.00 H new ATOM 0 HZ PHE A 43 -3.859 -1.551 -2.047 1.00 0.00 H new ATOM 673 N LEU A 44 -3.671 3.476 -8.715 1.00 0.00 N ATOM 674 CA LEU A 44 -3.314 4.533 -9.655 1.00 0.00 C ATOM 675 C LEU A 44 -4.541 5.350 -10.048 1.00 0.00 C ATOM 676 O LEU A 44 -4.566 6.569 -9.883 1.00 0.00 O ATOM 677 CB LEU A 44 -2.665 3.934 -10.904 1.00 0.00 C ATOM 678 CG LEU A 44 -1.249 3.384 -10.726 1.00 0.00 C ATOM 679 CD1 LEU A 44 -0.392 4.363 -9.939 1.00 0.00 C ATOM 680 CD2 LEU A 44 -1.286 2.029 -10.036 1.00 0.00 C ATOM 0 H LEU A 44 -3.631 2.534 -9.104 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.601 5.196 -9.164 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -3.303 3.129 -11.270 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -2.641 4.700 -11.679 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.803 3.254 -11.712 1.00 0.00 H new ATOM 0 HD11 LEU A 44 0.612 3.955 -9.822 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -0.338 5.311 -10.474 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -0.834 4.525 -8.956 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -0.270 1.653 -9.918 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -1.751 2.133 -9.056 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -1.864 1.329 -10.639 1.00 0.00 H new ATOM 692 N SER A 45 -5.558 4.668 -10.565 1.00 0.00 N ATOM 693 CA SER A 45 -6.789 5.331 -10.983 1.00 0.00 C ATOM 694 C SER A 45 -7.338 6.212 -9.865 1.00 0.00 C ATOM 695 O SER A 45 -7.746 7.348 -10.100 1.00 0.00 O ATOM 696 CB SER A 45 -7.837 4.294 -11.393 1.00 0.00 C ATOM 697 OG SER A 45 -8.707 4.814 -12.384 1.00 0.00 O ATOM 0 H SER A 45 -5.555 3.658 -10.705 1.00 0.00 H new ATOM 0 HA SER A 45 -6.559 5.964 -11.840 1.00 0.00 H new ATOM 0 HB2 SER A 45 -7.341 3.401 -11.772 1.00 0.00 H new ATOM 0 HB3 SER A 45 -8.415 3.991 -10.520 1.00 0.00 H new ATOM 0 HG SER A 45 -9.366 4.132 -12.631 1.00 0.00 H new ATOM 703 N GLU A 46 -7.344 5.677 -8.648 1.00 0.00 N ATOM 704 CA GLU A 46 -7.844 6.414 -7.493 1.00 0.00 C ATOM 705 C GLU A 46 -6.734 7.246 -6.857 1.00 0.00 C ATOM 706 O GLU A 46 -6.860 7.702 -5.720 1.00 0.00 O ATOM 707 CB GLU A 46 -8.431 5.450 -6.460 1.00 0.00 C ATOM 708 CG GLU A 46 -9.752 4.832 -6.885 1.00 0.00 C ATOM 709 CD GLU A 46 -10.840 5.868 -7.094 1.00 0.00 C ATOM 710 OE1 GLU A 46 -10.916 6.820 -6.289 1.00 0.00 O ATOM 711 OE2 GLU A 46 -11.615 5.726 -8.063 1.00 0.00 O ATOM 0 H GLU A 46 -7.009 4.737 -8.436 1.00 0.00 H new ATOM 0 HA GLU A 46 -8.629 7.088 -7.836 1.00 0.00 H new ATOM 0 HB2 GLU A 46 -7.712 4.653 -6.269 1.00 0.00 H new ATOM 0 HB3 GLU A 46 -8.574 5.982 -5.520 1.00 0.00 H new ATOM 0 HG2 GLU A 46 -9.606 4.272 -7.809 1.00 0.00 H new ATOM 0 HG3 GLU A 46 -10.076 4.118 -6.127 1.00 0.00 H new ATOM 718 N ARG A 47 -5.647 7.437 -7.597 1.00 0.00 N ATOM 719 CA ARG A 47 -4.514 8.212 -7.105 1.00 0.00 C ATOM 720 C ARG A 47 -4.334 8.017 -5.602 1.00 0.00 C ATOM 721 O ARG A 47 -4.063 8.970 -4.871 1.00 0.00 O ATOM 722 CB ARG A 47 -4.709 9.696 -7.419 1.00 0.00 C ATOM 723 CG ARG A 47 -4.733 10.006 -8.907 1.00 0.00 C ATOM 724 CD ARG A 47 -3.425 9.618 -9.577 1.00 0.00 C ATOM 725 NE ARG A 47 -3.266 10.260 -10.879 1.00 0.00 N ATOM 726 CZ ARG A 47 -2.420 9.834 -11.811 1.00 0.00 C ATOM 727 NH1 ARG A 47 -1.660 8.771 -11.584 1.00 0.00 N ATOM 728 NH2 ARG A 47 -2.332 10.472 -12.971 1.00 0.00 N ATOM 0 H ARG A 47 -5.527 7.066 -8.539 1.00 0.00 H new ATOM 0 HA ARG A 47 -3.616 7.857 -7.610 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -5.644 10.034 -6.971 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -3.907 10.266 -6.951 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -5.557 9.471 -9.378 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -4.918 11.070 -9.055 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -2.591 9.895 -8.932 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -3.387 8.536 -9.699 1.00 0.00 H new ATOM 0 HE ARG A 47 -3.836 11.081 -11.084 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -1.724 8.279 -10.693 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -1.011 8.445 -12.301 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -2.914 11.291 -13.148 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -1.682 10.144 -13.685 1.00 0.00 H new ATOM 742 N VAL A 48 -4.488 6.778 -5.149 1.00 0.00 N ATOM 743 CA VAL A 48 -4.342 6.458 -3.733 1.00 0.00 C ATOM 744 C VAL A 48 -2.907 6.670 -3.267 1.00 0.00 C ATOM 745 O VAL A 48 -2.059 5.790 -3.413 1.00 0.00 O ATOM 746 CB VAL A 48 -4.756 5.003 -3.441 1.00 0.00 C ATOM 747 CG1 VAL A 48 -4.600 4.691 -1.961 1.00 0.00 C ATOM 748 CG2 VAL A 48 -6.184 4.753 -3.900 1.00 0.00 C ATOM 0 H VAL A 48 -4.714 5.979 -5.741 1.00 0.00 H new ATOM 0 HA VAL A 48 -5.001 7.132 -3.186 1.00 0.00 H new ATOM 0 HB VAL A 48 -4.098 4.337 -3.999 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -4.897 3.659 -1.773 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -3.559 4.828 -1.668 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -5.232 5.362 -1.379 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -6.459 3.720 -3.686 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -6.859 5.426 -3.371 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -6.258 4.933 -4.972 1.00 0.00 H new ATOM 758 N ASN A 49 -2.641 7.845 -2.705 1.00 0.00 N ATOM 759 CA ASN A 49 -1.306 8.173 -2.216 1.00 0.00 C ATOM 760 C ASN A 49 -1.077 7.589 -0.826 1.00 0.00 C ATOM 761 O ASN A 49 -2.011 7.126 -0.173 1.00 0.00 O ATOM 762 CB ASN A 49 -1.112 9.691 -2.183 1.00 0.00 C ATOM 763 CG ASN A 49 -1.983 10.362 -1.138 1.00 0.00 C ATOM 764 OD1 ASN A 49 -1.681 10.325 0.055 1.00 0.00 O ATOM 765 ND2 ASN A 49 -3.071 10.980 -1.584 1.00 0.00 N ATOM 0 H ASN A 49 -3.331 8.585 -2.577 1.00 0.00 H new ATOM 0 HA ASN A 49 -0.578 7.735 -2.898 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -0.065 9.917 -1.979 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -1.342 10.106 -3.165 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -3.696 11.450 -0.928 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -3.282 10.985 -2.582 1.00 0.00 H new ATOM 772 N GLY A 50 0.175 7.616 -0.378 1.00 0.00 N ATOM 773 CA GLY A 50 0.505 7.087 0.933 1.00 0.00 C ATOM 774 C GLY A 50 -0.395 7.635 2.023 1.00 0.00 C ATOM 775 O GLY A 50 -1.035 6.874 2.749 1.00 0.00 O ATOM 0 H GLY A 50 0.966 7.994 -0.899 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.426 6.000 0.913 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.542 7.327 1.168 1.00 0.00 H new ATOM 779 N ARG A 51 -0.442 8.958 2.139 1.00 0.00 N ATOM 780 CA ARG A 51 -1.268 9.606 3.151 1.00 0.00 C ATOM 781 C ARG A 51 -2.688 9.047 3.134 1.00 0.00 C ATOM 782 O ARG A 51 -3.333 8.932 4.177 1.00 0.00 O ATOM 783 CB ARG A 51 -1.301 11.118 2.920 1.00 0.00 C ATOM 784 CG ARG A 51 -1.477 11.926 4.195 1.00 0.00 C ATOM 785 CD ARG A 51 -2.808 11.624 4.866 1.00 0.00 C ATOM 786 NE ARG A 51 -3.246 12.716 5.731 1.00 0.00 N ATOM 787 CZ ARG A 51 -3.608 13.912 5.278 1.00 0.00 C ATOM 788 NH1 ARG A 51 -3.585 14.167 3.978 1.00 0.00 N ATOM 789 NH2 ARG A 51 -3.994 14.855 6.128 1.00 0.00 N ATOM 0 H ARG A 51 0.081 9.602 1.546 1.00 0.00 H new ATOM 0 HA ARG A 51 -0.828 9.403 4.128 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -0.375 11.423 2.432 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -2.115 11.355 2.235 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -0.662 11.703 4.884 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -1.418 12.990 3.964 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -3.565 11.440 4.103 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -2.719 10.710 5.453 1.00 0.00 H new ATOM 0 HE ARG A 51 -3.276 12.552 6.737 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -3.289 13.444 3.322 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -3.863 15.086 3.634 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -4.013 14.662 7.129 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -4.272 15.773 5.780 1.00 0.00 H new ATOM 803 N LEU A 52 -3.168 8.703 1.944 1.00 0.00 N ATOM 804 CA LEU A 52 -4.512 8.156 1.791 1.00 0.00 C ATOM 805 C LEU A 52 -4.536 6.668 2.126 1.00 0.00 C ATOM 806 O LEU A 52 -5.513 6.161 2.678 1.00 0.00 O ATOM 807 CB LEU A 52 -5.014 8.378 0.363 1.00 0.00 C ATOM 808 CG LEU A 52 -6.394 7.804 0.041 1.00 0.00 C ATOM 809 CD1 LEU A 52 -7.415 8.258 1.073 1.00 0.00 C ATOM 810 CD2 LEU A 52 -6.829 8.215 -1.359 1.00 0.00 C ATOM 0 H LEU A 52 -2.647 8.793 1.072 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.171 8.676 2.486 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.034 9.450 0.169 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -4.291 7.942 -0.327 1.00 0.00 H new ATOM 0 HG LEU A 52 -6.331 6.716 0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -8.391 7.840 0.828 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -7.111 7.914 2.062 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.476 9.346 1.071 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.813 7.798 -1.571 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.875 9.302 -1.421 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -6.111 7.840 -2.088 1.00 0.00 H new ATOM 822 N LEU A 53 -3.454 5.974 1.791 1.00 0.00 N ATOM 823 CA LEU A 53 -3.350 4.544 2.058 1.00 0.00 C ATOM 824 C LEU A 53 -3.411 4.264 3.556 1.00 0.00 C ATOM 825 O LEU A 53 -4.071 3.322 3.996 1.00 0.00 O ATOM 826 CB LEU A 53 -2.047 3.991 1.477 1.00 0.00 C ATOM 827 CG LEU A 53 -2.082 2.532 1.020 1.00 0.00 C ATOM 828 CD1 LEU A 53 -0.772 2.152 0.348 1.00 0.00 C ATOM 829 CD2 LEU A 53 -2.366 1.611 2.198 1.00 0.00 C ATOM 0 H LEU A 53 -2.637 6.378 1.334 1.00 0.00 H new ATOM 0 HA LEU A 53 -4.194 4.047 1.580 1.00 0.00 H new ATOM 0 HB2 LEU A 53 -1.760 4.610 0.627 1.00 0.00 H new ATOM 0 HB3 LEU A 53 -1.264 4.097 2.228 1.00 0.00 H new ATOM 0 HG LEU A 53 -2.886 2.418 0.293 1.00 0.00 H new ATOM 0 HD11 LEU A 53 -0.815 1.110 0.029 1.00 0.00 H new ATOM 0 HD12 LEU A 53 -0.610 2.791 -0.520 1.00 0.00 H new ATOM 0 HD13 LEU A 53 0.049 2.282 1.053 1.00 0.00 H new ATOM 0 HD21 LEU A 53 -2.387 0.577 1.854 1.00 0.00 H new ATOM 0 HD22 LEU A 53 -1.584 1.728 2.948 1.00 0.00 H new ATOM 0 HD23 LEU A 53 -3.330 1.868 2.636 1.00 0.00 H new ATOM 841 N LEU A 54 -2.722 5.089 4.336 1.00 0.00 N ATOM 842 CA LEU A 54 -2.700 4.933 5.786 1.00 0.00 C ATOM 843 C LEU A 54 -4.099 5.087 6.372 1.00 0.00 C ATOM 844 O LEU A 54 -4.524 4.294 7.213 1.00 0.00 O ATOM 845 CB LEU A 54 -1.755 5.958 6.415 1.00 0.00 C ATOM 846 CG LEU A 54 -0.269 5.597 6.404 1.00 0.00 C ATOM 847 CD1 LEU A 54 0.566 6.753 6.932 1.00 0.00 C ATOM 848 CD2 LEU A 54 -0.020 4.339 7.224 1.00 0.00 C ATOM 0 H LEU A 54 -2.171 5.874 3.988 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.340 3.929 6.013 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -1.882 6.907 5.894 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.062 6.119 7.449 1.00 0.00 H new ATOM 0 HG LEU A 54 0.030 5.401 5.374 1.00 0.00 H new ATOM 0 HD11 LEU A 54 1.620 6.477 6.916 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.411 7.630 6.304 1.00 0.00 H new ATOM 0 HD13 LEU A 54 0.266 6.981 7.955 1.00 0.00 H new ATOM 0 HD21 LEU A 54 1.043 4.097 7.205 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -0.336 4.507 8.254 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -0.588 3.511 6.801 1.00 0.00 H new ATOM 860 N THR A 55 -4.814 6.114 5.921 1.00 0.00 N ATOM 861 CA THR A 55 -6.166 6.372 6.399 1.00 0.00 C ATOM 862 C THR A 55 -7.071 5.167 6.167 1.00 0.00 C ATOM 863 O THR A 55 -7.858 4.793 7.038 1.00 0.00 O ATOM 864 CB THR A 55 -6.782 7.603 5.706 1.00 0.00 C ATOM 865 OG1 THR A 55 -6.909 7.361 4.300 1.00 0.00 O ATOM 866 CG2 THR A 55 -5.925 8.839 5.937 1.00 0.00 C ATOM 0 H THR A 55 -4.478 6.780 5.225 1.00 0.00 H new ATOM 0 HA THR A 55 -6.091 6.566 7.469 1.00 0.00 H new ATOM 0 HB THR A 55 -7.769 7.778 6.135 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.178 6.781 4.000 1.00 0.00 H new ATOM 0 HG21 THR A 55 -6.380 9.695 5.439 1.00 0.00 H new ATOM 0 HG22 THR A 55 -5.853 9.037 7.006 1.00 0.00 H new ATOM 0 HG23 THR A 55 -4.927 8.671 5.532 1.00 0.00 H new ATOM 874 N LEU A 56 -6.954 4.563 4.990 1.00 0.00 N ATOM 875 CA LEU A 56 -7.762 3.398 4.644 1.00 0.00 C ATOM 876 C LEU A 56 -7.590 2.290 5.678 1.00 0.00 C ATOM 877 O LEU A 56 -6.491 2.064 6.186 1.00 0.00 O ATOM 878 CB LEU A 56 -7.378 2.881 3.257 1.00 0.00 C ATOM 879 CG LEU A 56 -7.645 3.831 2.089 1.00 0.00 C ATOM 880 CD1 LEU A 56 -6.938 3.344 0.833 1.00 0.00 C ATOM 881 CD2 LEU A 56 -9.141 3.966 1.843 1.00 0.00 C ATOM 0 H LEU A 56 -6.308 4.860 4.259 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.809 3.702 4.635 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -6.316 2.635 3.264 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -7.919 1.952 3.075 1.00 0.00 H new ATOM 0 HG LEU A 56 -7.249 4.813 2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -7.139 4.032 0.012 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -5.864 3.299 1.014 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.303 2.351 0.572 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.313 4.646 1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -9.561 2.988 1.607 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -9.623 4.361 2.738 1.00 0.00 H new ATOM 893 N THR A 57 -8.684 1.600 5.986 1.00 0.00 N ATOM 894 CA THR A 57 -8.655 0.515 6.958 1.00 0.00 C ATOM 895 C THR A 57 -9.182 -0.781 6.352 1.00 0.00 C ATOM 896 O THR A 57 -9.476 -0.843 5.159 1.00 0.00 O ATOM 897 CB THR A 57 -9.486 0.858 8.209 1.00 0.00 C ATOM 898 OG1 THR A 57 -10.880 0.868 7.883 1.00 0.00 O ATOM 899 CG2 THR A 57 -9.082 2.213 8.772 1.00 0.00 C ATOM 0 H THR A 57 -9.601 1.774 5.576 1.00 0.00 H new ATOM 0 HA THR A 57 -7.613 0.380 7.249 1.00 0.00 H new ATOM 0 HB THR A 57 -9.295 0.096 8.965 1.00 0.00 H new ATOM 0 HG1 THR A 57 -11.162 1.784 7.679 1.00 0.00 H new ATOM 0 HG21 THR A 57 -9.682 2.434 9.655 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.027 2.193 9.046 1.00 0.00 H new ATOM 0 HG23 THR A 57 -9.247 2.984 8.019 1.00 0.00 H new ATOM 907 N GLU A 58 -9.299 -1.813 7.182 1.00 0.00 N ATOM 908 CA GLU A 58 -9.790 -3.107 6.726 1.00 0.00 C ATOM 909 C GLU A 58 -11.211 -2.988 6.181 1.00 0.00 C ATOM 910 O GLU A 58 -11.683 -3.863 5.455 1.00 0.00 O ATOM 911 CB GLU A 58 -9.755 -4.123 7.869 1.00 0.00 C ATOM 912 CG GLU A 58 -10.297 -5.490 7.486 1.00 0.00 C ATOM 913 CD GLU A 58 -10.423 -6.422 8.676 1.00 0.00 C ATOM 914 OE1 GLU A 58 -9.386 -6.947 9.132 1.00 0.00 O ATOM 915 OE2 GLU A 58 -11.560 -6.626 9.151 1.00 0.00 O ATOM 0 H GLU A 58 -9.060 -1.777 8.173 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.138 -3.452 5.923 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.727 -4.233 8.215 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -10.333 -3.734 8.707 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.274 -5.371 7.017 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -9.640 -5.942 6.743 1.00 0.00 H new ATOM 922 N GLU A 59 -11.886 -1.900 6.537 1.00 0.00 N ATOM 923 CA GLU A 59 -13.253 -1.667 6.085 1.00 0.00 C ATOM 924 C GLU A 59 -13.267 -1.058 4.686 1.00 0.00 C ATOM 925 O GLU A 59 -13.889 -1.595 3.770 1.00 0.00 O ATOM 926 CB GLU A 59 -13.987 -0.747 7.062 1.00 0.00 C ATOM 927 CG GLU A 59 -14.979 0.187 6.390 1.00 0.00 C ATOM 928 CD GLU A 59 -16.131 0.568 7.300 1.00 0.00 C ATOM 929 OE1 GLU A 59 -15.869 1.144 8.377 1.00 0.00 O ATOM 930 OE2 GLU A 59 -17.292 0.291 6.936 1.00 0.00 O ATOM 0 H GLU A 59 -11.509 -1.166 7.137 1.00 0.00 H new ATOM 0 HA GLU A 59 -13.765 -2.628 6.049 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -14.514 -1.357 7.796 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -13.255 -0.153 7.609 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -14.461 1.090 6.068 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -15.372 -0.291 5.493 1.00 0.00 H new ATOM 937 N GLU A 60 -12.577 0.068 4.531 1.00 0.00 N ATOM 938 CA GLU A 60 -12.511 0.752 3.244 1.00 0.00 C ATOM 939 C GLU A 60 -12.123 -0.218 2.132 1.00 0.00 C ATOM 940 O GLU A 60 -12.801 -0.309 1.108 1.00 0.00 O ATOM 941 CB GLU A 60 -11.507 1.904 3.305 1.00 0.00 C ATOM 942 CG GLU A 60 -11.930 3.032 4.230 1.00 0.00 C ATOM 943 CD GLU A 60 -11.582 2.758 5.681 1.00 0.00 C ATOM 944 OE1 GLU A 60 -12.379 2.082 6.364 1.00 0.00 O ATOM 945 OE2 GLU A 60 -10.513 3.220 6.132 1.00 0.00 O ATOM 0 H GLU A 60 -12.056 0.525 5.279 1.00 0.00 H new ATOM 0 HA GLU A 60 -13.500 1.153 3.023 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -10.543 1.517 3.635 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -11.364 2.303 2.301 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -11.448 3.957 3.913 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -13.005 3.186 4.141 1.00 0.00 H new ATOM 952 N PHE A 61 -11.028 -0.941 2.340 1.00 0.00 N ATOM 953 CA PHE A 61 -10.547 -1.903 1.356 1.00 0.00 C ATOM 954 C PHE A 61 -11.612 -2.955 1.059 1.00 0.00 C ATOM 955 O PHE A 61 -11.657 -3.516 -0.036 1.00 0.00 O ATOM 956 CB PHE A 61 -9.270 -2.581 1.855 1.00 0.00 C ATOM 957 CG PHE A 61 -8.090 -1.654 1.930 1.00 0.00 C ATOM 958 CD1 PHE A 61 -7.800 -0.793 0.884 1.00 0.00 C ATOM 959 CD2 PHE A 61 -7.269 -1.645 3.047 1.00 0.00 C ATOM 960 CE1 PHE A 61 -6.715 0.061 0.950 1.00 0.00 C ATOM 961 CE2 PHE A 61 -6.184 -0.793 3.118 1.00 0.00 C ATOM 962 CZ PHE A 61 -5.905 0.060 2.068 1.00 0.00 C ATOM 0 H PHE A 61 -10.456 -0.879 3.182 1.00 0.00 H new ATOM 0 HA PHE A 61 -10.327 -1.363 0.435 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -9.454 -3.003 2.843 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -9.027 -3.413 1.194 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -8.429 -0.789 0.006 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.480 -2.311 3.870 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -6.501 0.728 0.128 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -5.554 -0.794 3.995 1.00 0.00 H new ATOM 0 HZ PHE A 61 -5.055 0.725 2.121 1.00 0.00 H new ATOM 972 N SER A 62 -12.467 -3.217 2.043 1.00 0.00 N ATOM 973 CA SER A 62 -13.529 -4.204 1.890 1.00 0.00 C ATOM 974 C SER A 62 -14.687 -3.635 1.076 1.00 0.00 C ATOM 975 O SER A 62 -15.368 -4.361 0.352 1.00 0.00 O ATOM 976 CB SER A 62 -14.030 -4.662 3.261 1.00 0.00 C ATOM 977 OG SER A 62 -15.192 -5.463 3.137 1.00 0.00 O ATOM 0 H SER A 62 -12.445 -2.759 2.954 1.00 0.00 H new ATOM 0 HA SER A 62 -13.120 -5.062 1.356 1.00 0.00 H new ATOM 0 HB2 SER A 62 -13.247 -5.227 3.768 1.00 0.00 H new ATOM 0 HB3 SER A 62 -14.248 -3.793 3.881 1.00 0.00 H new ATOM 0 HG SER A 62 -15.492 -5.744 4.027 1.00 0.00 H new ATOM 983 N ARG A 63 -14.904 -2.330 1.202 1.00 0.00 N ATOM 984 CA ARG A 63 -15.981 -1.661 0.480 1.00 0.00 C ATOM 985 C ARG A 63 -15.472 -1.073 -0.832 1.00 0.00 C ATOM 986 O ARG A 63 -14.266 -0.947 -1.041 1.00 0.00 O ATOM 987 CB ARG A 63 -16.593 -0.557 1.343 1.00 0.00 C ATOM 988 CG ARG A 63 -15.866 0.774 1.235 1.00 0.00 C ATOM 989 CD ARG A 63 -16.006 1.591 2.510 1.00 0.00 C ATOM 990 NE ARG A 63 -15.285 2.858 2.430 1.00 0.00 N ATOM 991 CZ ARG A 63 -15.653 3.865 1.645 1.00 0.00 C ATOM 992 NH1 ARG A 63 -16.727 3.752 0.876 1.00 0.00 N ATOM 993 NH2 ARG A 63 -14.945 4.987 1.627 1.00 0.00 N ATOM 0 H ARG A 63 -14.349 -1.715 1.797 1.00 0.00 H new ATOM 0 HA ARG A 63 -16.748 -2.402 0.253 1.00 0.00 H new ATOM 0 HB2 ARG A 63 -17.635 -0.417 1.054 1.00 0.00 H new ATOM 0 HB3 ARG A 63 -16.592 -0.879 2.384 1.00 0.00 H new ATOM 0 HG2 ARG A 63 -14.810 0.597 1.029 1.00 0.00 H new ATOM 0 HG3 ARG A 63 -16.265 1.340 0.393 1.00 0.00 H new ATOM 0 HD2 ARG A 63 -17.061 1.786 2.702 1.00 0.00 H new ATOM 0 HD3 ARG A 63 -15.630 1.013 3.354 1.00 0.00 H new ATOM 0 HE ARG A 63 -14.453 2.977 3.008 1.00 0.00 H new ATOM 0 HH11 ARG A 63 -17.273 2.891 0.886 1.00 0.00 H new ATOM 0 HH12 ARG A 63 -17.007 4.527 0.274 1.00 0.00 H new ATOM 0 HH21 ARG A 63 -14.117 5.077 2.216 1.00 0.00 H new ATOM 0 HH22 ARG A 63 -15.228 5.759 1.024 1.00 0.00 H new ATOM 1007 N ALA A 64 -16.400 -0.716 -1.714 1.00 0.00 N ATOM 1008 CA ALA A 64 -16.046 -0.140 -3.005 1.00 0.00 C ATOM 1009 C ALA A 64 -15.299 1.179 -2.832 1.00 0.00 C ATOM 1010 O ALA A 64 -15.331 1.803 -1.771 1.00 0.00 O ATOM 1011 CB ALA A 64 -17.293 0.065 -3.852 1.00 0.00 C ATOM 0 H ALA A 64 -17.403 -0.816 -1.558 1.00 0.00 H new ATOM 0 HA ALA A 64 -15.384 -0.838 -3.517 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -17.013 0.496 -4.813 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -17.785 -0.894 -4.014 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -17.976 0.741 -3.337 1.00 0.00 H new ATOM 1017 N PRO A 65 -14.610 1.613 -3.897 1.00 0.00 N ATOM 1018 CA PRO A 65 -14.565 0.878 -5.165 1.00 0.00 C ATOM 1019 C PRO A 65 -13.768 -0.417 -5.055 1.00 0.00 C ATOM 1020 O PRO A 65 -14.195 -1.463 -5.544 1.00 0.00 O ATOM 1021 CB PRO A 65 -13.870 1.855 -6.117 1.00 0.00 C ATOM 1022 CG PRO A 65 -13.050 2.729 -5.231 1.00 0.00 C ATOM 1023 CD PRO A 65 -13.822 2.856 -3.946 1.00 0.00 C ATOM 0 HA PRO A 65 -15.558 0.574 -5.496 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -13.247 1.328 -6.840 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -14.595 2.437 -6.686 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -12.067 2.293 -5.054 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -12.888 3.706 -5.687 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -13.159 2.945 -3.086 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -14.462 3.738 -3.947 1.00 0.00 H new ATOM 1031 N TYR A 66 -12.609 -0.340 -4.411 1.00 0.00 N ATOM 1032 CA TYR A 66 -11.751 -1.507 -4.240 1.00 0.00 C ATOM 1033 C TYR A 66 -12.577 -2.745 -3.902 1.00 0.00 C ATOM 1034 O TYR A 66 -12.409 -3.803 -4.510 1.00 0.00 O ATOM 1035 CB TYR A 66 -10.721 -1.252 -3.138 1.00 0.00 C ATOM 1036 CG TYR A 66 -10.246 0.182 -3.074 1.00 0.00 C ATOM 1037 CD1 TYR A 66 -9.394 0.696 -4.044 1.00 0.00 C ATOM 1038 CD2 TYR A 66 -10.648 1.023 -2.044 1.00 0.00 C ATOM 1039 CE1 TYR A 66 -8.956 2.005 -3.990 1.00 0.00 C ATOM 1040 CE2 TYR A 66 -10.217 2.334 -1.982 1.00 0.00 C ATOM 1041 CZ TYR A 66 -9.371 2.820 -2.957 1.00 0.00 C ATOM 1042 OH TYR A 66 -8.938 4.125 -2.899 1.00 0.00 O ATOM 0 H TYR A 66 -12.242 0.518 -3.999 1.00 0.00 H new ATOM 0 HA TYR A 66 -11.230 -1.685 -5.181 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -11.155 -1.526 -2.176 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -9.862 -1.904 -3.297 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -9.068 0.061 -4.855 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -11.309 0.645 -1.278 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -8.293 2.388 -4.752 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.541 2.975 -1.175 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.323 4.563 -2.111 1.00 0.00 H new ATOM 1052 N THR A 67 -13.471 -2.605 -2.929 1.00 0.00 N ATOM 1053 CA THR A 67 -14.323 -3.710 -2.509 1.00 0.00 C ATOM 1054 C THR A 67 -13.522 -4.999 -2.367 1.00 0.00 C ATOM 1055 O THR A 67 -14.054 -6.095 -2.548 1.00 0.00 O ATOM 1056 CB THR A 67 -15.474 -3.942 -3.505 1.00 0.00 C ATOM 1057 OG1 THR A 67 -16.444 -4.828 -2.936 1.00 0.00 O ATOM 1058 CG2 THR A 67 -14.952 -4.524 -4.810 1.00 0.00 C ATOM 0 H THR A 67 -13.624 -1.736 -2.417 1.00 0.00 H new ATOM 0 HA THR A 67 -14.740 -3.436 -1.540 1.00 0.00 H new ATOM 0 HB THR A 67 -15.941 -2.980 -3.716 1.00 0.00 H new ATOM 0 HG1 THR A 67 -15.991 -5.613 -2.563 1.00 0.00 H new ATOM 0 HG21 THR A 67 -15.783 -4.679 -5.498 1.00 0.00 H new ATOM 0 HG22 THR A 67 -14.236 -3.833 -5.256 1.00 0.00 H new ATOM 0 HG23 THR A 67 -14.462 -5.477 -4.613 1.00 0.00 H new ATOM 1066 N ILE A 68 -12.241 -4.861 -2.041 1.00 0.00 N ATOM 1067 CA ILE A 68 -11.367 -6.016 -1.874 1.00 0.00 C ATOM 1068 C ILE A 68 -12.130 -7.203 -1.293 1.00 0.00 C ATOM 1069 O ILE A 68 -12.271 -7.327 -0.077 1.00 0.00 O ATOM 1070 CB ILE A 68 -10.173 -5.690 -0.957 1.00 0.00 C ATOM 1071 CG1 ILE A 68 -9.372 -4.517 -1.526 1.00 0.00 C ATOM 1072 CG2 ILE A 68 -9.285 -6.914 -0.790 1.00 0.00 C ATOM 1073 CD1 ILE A 68 -8.055 -4.286 -0.819 1.00 0.00 C ATOM 0 H ILE A 68 -11.786 -3.961 -1.887 1.00 0.00 H new ATOM 0 HA ILE A 68 -10.994 -6.276 -2.865 1.00 0.00 H new ATOM 0 HB ILE A 68 -10.553 -5.404 0.024 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -9.181 -4.697 -2.584 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -9.974 -3.611 -1.461 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.446 -6.668 -0.140 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.863 -7.725 -0.346 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -8.910 -7.227 -1.764 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -7.541 -3.440 -1.275 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.240 -4.074 0.234 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -7.434 -5.177 -0.906 1.00 0.00 H new ATOM 1085 N GLU A 69 -12.618 -8.072 -2.172 1.00 0.00 N ATOM 1086 CA GLU A 69 -13.365 -9.250 -1.746 1.00 0.00 C ATOM 1087 C GLU A 69 -12.422 -10.406 -1.427 1.00 0.00 C ATOM 1088 O GLU A 69 -12.675 -11.550 -1.805 1.00 0.00 O ATOM 1089 CB GLU A 69 -14.358 -9.672 -2.832 1.00 0.00 C ATOM 1090 CG GLU A 69 -15.272 -8.548 -3.291 1.00 0.00 C ATOM 1091 CD GLU A 69 -16.441 -9.047 -4.117 1.00 0.00 C ATOM 1092 OE1 GLU A 69 -17.365 -9.650 -3.532 1.00 0.00 O ATOM 1093 OE2 GLU A 69 -16.431 -8.836 -5.348 1.00 0.00 O ATOM 0 H GLU A 69 -12.510 -7.983 -3.182 1.00 0.00 H new ATOM 0 HA GLU A 69 -13.915 -8.992 -0.841 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -13.805 -10.052 -3.691 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -14.967 -10.494 -2.456 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -15.650 -8.013 -2.420 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -14.696 -7.833 -3.878 1.00 0.00 H new ATOM 1100 N ASN A 70 -11.334 -10.099 -0.728 1.00 0.00 N ATOM 1101 CA ASN A 70 -10.352 -11.112 -0.358 1.00 0.00 C ATOM 1102 C ASN A 70 -9.580 -10.691 0.888 1.00 0.00 C ATOM 1103 O ASN A 70 -8.724 -9.808 0.832 1.00 0.00 O ATOM 1104 CB ASN A 70 -9.381 -11.357 -1.515 1.00 0.00 C ATOM 1105 CG ASN A 70 -8.352 -12.423 -1.190 1.00 0.00 C ATOM 1106 OD1 ASN A 70 -7.171 -12.127 -1.013 1.00 0.00 O ATOM 1107 ND2 ASN A 70 -8.798 -13.671 -1.110 1.00 0.00 N ATOM 0 H ASN A 70 -11.110 -9.157 -0.406 1.00 0.00 H new ATOM 0 HA ASN A 70 -10.885 -12.037 -0.138 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -9.943 -11.656 -2.400 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -8.870 -10.426 -1.761 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -8.152 -14.430 -0.894 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -9.786 -13.870 -1.264 1.00 0.00 H new ATOM 1114 N SER A 71 -9.888 -11.330 2.013 1.00 0.00 N ATOM 1115 CA SER A 71 -9.225 -11.020 3.274 1.00 0.00 C ATOM 1116 C SER A 71 -7.716 -11.208 3.155 1.00 0.00 C ATOM 1117 O SER A 71 -6.941 -10.296 3.445 1.00 0.00 O ATOM 1118 CB SER A 71 -9.774 -11.906 4.394 1.00 0.00 C ATOM 1119 OG SER A 71 -11.125 -11.588 4.680 1.00 0.00 O ATOM 0 H SER A 71 -10.592 -12.065 2.076 1.00 0.00 H new ATOM 0 HA SER A 71 -9.426 -9.976 3.515 1.00 0.00 H new ATOM 0 HB2 SER A 71 -9.697 -12.954 4.104 1.00 0.00 H new ATOM 0 HB3 SER A 71 -9.169 -11.779 5.292 1.00 0.00 H new ATOM 0 HG SER A 71 -11.453 -12.169 5.398 1.00 0.00 H new ATOM 1125 N SER A 72 -7.305 -12.398 2.727 1.00 0.00 N ATOM 1126 CA SER A 72 -5.889 -12.708 2.573 1.00 0.00 C ATOM 1127 C SER A 72 -5.113 -11.483 2.098 1.00 0.00 C ATOM 1128 O SER A 72 -4.095 -11.113 2.685 1.00 0.00 O ATOM 1129 CB SER A 72 -5.702 -13.859 1.582 1.00 0.00 C ATOM 1130 OG SER A 72 -4.522 -14.590 1.866 1.00 0.00 O ATOM 0 H SER A 72 -7.933 -13.163 2.481 1.00 0.00 H new ATOM 0 HA SER A 72 -5.500 -13.008 3.546 1.00 0.00 H new ATOM 0 HB2 SER A 72 -6.565 -14.524 1.625 1.00 0.00 H new ATOM 0 HB3 SER A 72 -5.654 -13.465 0.567 1.00 0.00 H new ATOM 0 HG SER A 72 -4.426 -15.321 1.220 1.00 0.00 H new ATOM 1136 N HIS A 73 -5.601 -10.858 1.032 1.00 0.00 N ATOM 1137 CA HIS A 73 -4.954 -9.673 0.478 1.00 0.00 C ATOM 1138 C HIS A 73 -4.915 -8.546 1.504 1.00 0.00 C ATOM 1139 O HIS A 73 -3.877 -7.914 1.707 1.00 0.00 O ATOM 1140 CB HIS A 73 -5.687 -9.208 -0.781 1.00 0.00 C ATOM 1141 CG HIS A 73 -5.164 -7.919 -1.336 1.00 0.00 C ATOM 1142 ND1 HIS A 73 -5.947 -7.033 -2.047 1.00 0.00 N ATOM 1143 CD2 HIS A 73 -3.929 -7.368 -1.281 1.00 0.00 C ATOM 1144 CE1 HIS A 73 -5.215 -5.993 -2.406 1.00 0.00 C ATOM 1145 NE2 HIS A 73 -3.987 -6.172 -1.953 1.00 0.00 N ATOM 0 H HIS A 73 -6.442 -11.151 0.534 1.00 0.00 H new ATOM 0 HA HIS A 73 -3.929 -9.937 0.216 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -5.608 -9.982 -1.545 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -6.747 -9.093 -0.553 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -6.936 -7.161 -2.262 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -3.060 -7.790 -0.799 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -5.562 -5.142 -2.973 1.00 0.00 H new ATOM 1154 N ARG A 74 -6.050 -8.298 2.148 1.00 0.00 N ATOM 1155 CA ARG A 74 -6.146 -7.244 3.152 1.00 0.00 C ATOM 1156 C ARG A 74 -5.129 -7.464 4.268 1.00 0.00 C ATOM 1157 O ARG A 74 -4.473 -6.524 4.718 1.00 0.00 O ATOM 1158 CB ARG A 74 -7.558 -7.194 3.737 1.00 0.00 C ATOM 1159 CG ARG A 74 -8.502 -6.282 2.971 1.00 0.00 C ATOM 1160 CD ARG A 74 -9.595 -5.729 3.873 1.00 0.00 C ATOM 1161 NE ARG A 74 -10.521 -6.769 4.312 1.00 0.00 N ATOM 1162 CZ ARG A 74 -11.476 -7.277 3.541 1.00 0.00 C ATOM 1163 NH1 ARG A 74 -11.629 -6.843 2.297 1.00 0.00 N ATOM 1164 NH2 ARG A 74 -12.279 -8.222 4.012 1.00 0.00 N ATOM 0 H ARG A 74 -6.917 -8.812 1.993 1.00 0.00 H new ATOM 0 HA ARG A 74 -5.928 -6.293 2.666 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -7.972 -8.202 3.751 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -7.502 -6.858 4.772 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -7.938 -5.458 2.533 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -8.953 -6.833 2.146 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -9.141 -5.256 4.744 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -10.146 -4.954 3.341 1.00 0.00 H new ATOM 0 HE ARG A 74 -10.430 -7.125 5.263 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -11.013 -6.118 1.930 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -12.363 -7.235 1.707 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -12.164 -8.560 4.968 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -13.012 -8.611 3.419 1.00 0.00 H new ATOM 1178 N ARG A 75 -5.004 -8.711 4.711 1.00 0.00 N ATOM 1179 CA ARG A 75 -4.068 -9.053 5.776 1.00 0.00 C ATOM 1180 C ARG A 75 -2.643 -8.668 5.392 1.00 0.00 C ATOM 1181 O ARG A 75 -1.871 -8.193 6.225 1.00 0.00 O ATOM 1182 CB ARG A 75 -4.138 -10.550 6.083 1.00 0.00 C ATOM 1183 CG ARG A 75 -3.357 -10.955 7.322 1.00 0.00 C ATOM 1184 CD ARG A 75 -1.916 -11.304 6.984 1.00 0.00 C ATOM 1185 NE ARG A 75 -1.116 -11.546 8.181 1.00 0.00 N ATOM 1186 CZ ARG A 75 0.201 -11.717 8.162 1.00 0.00 C ATOM 1187 NH1 ARG A 75 0.862 -11.672 7.013 1.00 0.00 N ATOM 1188 NH2 ARG A 75 0.860 -11.932 9.293 1.00 0.00 N ATOM 0 H ARG A 75 -5.539 -9.501 4.349 1.00 0.00 H new ATOM 0 HA ARG A 75 -4.350 -8.492 6.667 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.182 -10.837 6.212 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -3.758 -11.106 5.226 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -3.375 -10.141 8.047 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -3.839 -11.812 7.793 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -1.897 -12.190 6.350 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -1.472 -10.491 6.409 1.00 0.00 H new ATOM 0 HE ARG A 75 -1.595 -11.586 9.081 1.00 0.00 H new ATOM 0 HH11 ARG A 75 0.359 -11.506 6.141 1.00 0.00 H new ATOM 0 HH12 ARG A 75 1.873 -11.804 7.001 1.00 0.00 H new ATOM 0 HH21 ARG A 75 0.355 -11.966 10.179 1.00 0.00 H new ATOM 0 HH22 ARG A 75 1.871 -12.063 9.277 1.00 0.00 H new ATOM 1202 N VAL A 76 -2.300 -8.876 4.124 1.00 0.00 N ATOM 1203 CA VAL A 76 -0.968 -8.550 3.629 1.00 0.00 C ATOM 1204 C VAL A 76 -0.731 -7.044 3.641 1.00 0.00 C ATOM 1205 O VAL A 76 0.269 -6.567 4.178 1.00 0.00 O ATOM 1206 CB VAL A 76 -0.755 -9.081 2.199 1.00 0.00 C ATOM 1207 CG1 VAL A 76 0.641 -8.736 1.704 1.00 0.00 C ATOM 1208 CG2 VAL A 76 -0.991 -10.583 2.149 1.00 0.00 C ATOM 0 H VAL A 76 -2.926 -9.269 3.421 1.00 0.00 H new ATOM 0 HA VAL A 76 -0.255 -9.033 4.297 1.00 0.00 H new ATOM 0 HB VAL A 76 -1.477 -8.600 1.540 1.00 0.00 H new ATOM 0 HG11 VAL A 76 0.773 -9.119 0.692 1.00 0.00 H new ATOM 0 HG12 VAL A 76 0.769 -7.654 1.702 1.00 0.00 H new ATOM 0 HG13 VAL A 76 1.383 -9.188 2.363 1.00 0.00 H new ATOM 0 HG21 VAL A 76 -0.836 -10.942 1.131 1.00 0.00 H new ATOM 0 HG22 VAL A 76 -0.293 -11.083 2.820 1.00 0.00 H new ATOM 0 HG23 VAL A 76 -2.013 -10.801 2.459 1.00 0.00 H new ATOM 1218 N ILE A 77 -1.657 -6.300 3.045 1.00 0.00 N ATOM 1219 CA ILE A 77 -1.549 -4.848 2.988 1.00 0.00 C ATOM 1220 C ILE A 77 -1.490 -4.246 4.388 1.00 0.00 C ATOM 1221 O ILE A 77 -0.512 -3.593 4.754 1.00 0.00 O ATOM 1222 CB ILE A 77 -2.732 -4.225 2.223 1.00 0.00 C ATOM 1223 CG1 ILE A 77 -2.716 -4.676 0.761 1.00 0.00 C ATOM 1224 CG2 ILE A 77 -2.682 -2.707 2.316 1.00 0.00 C ATOM 1225 CD1 ILE A 77 -3.962 -4.289 -0.004 1.00 0.00 C ATOM 0 H ILE A 77 -2.490 -6.679 2.595 1.00 0.00 H new ATOM 0 HA ILE A 77 -0.624 -4.621 2.458 1.00 0.00 H new ATOM 0 HB ILE A 77 -3.661 -4.567 2.679 1.00 0.00 H new ATOM 0 HG12 ILE A 77 -1.846 -4.244 0.265 1.00 0.00 H new ATOM 0 HG13 ILE A 77 -2.599 -5.759 0.725 1.00 0.00 H new ATOM 0 HG21 ILE A 77 -3.524 -2.281 1.771 1.00 0.00 H new ATOM 0 HG22 ILE A 77 -2.737 -2.405 3.362 1.00 0.00 H new ATOM 0 HG23 ILE A 77 -1.749 -2.346 1.882 1.00 0.00 H new ATOM 0 HD11 ILE A 77 -3.881 -4.641 -1.033 1.00 0.00 H new ATOM 0 HD12 ILE A 77 -4.834 -4.743 0.467 1.00 0.00 H new ATOM 0 HD13 ILE A 77 -4.070 -3.204 0.001 1.00 0.00 H new ATOM 1237 N LEU A 78 -2.541 -4.471 5.168 1.00 0.00 N ATOM 1238 CA LEU A 78 -2.609 -3.952 6.529 1.00 0.00 C ATOM 1239 C LEU A 78 -1.380 -4.367 7.332 1.00 0.00 C ATOM 1240 O LEU A 78 -0.609 -3.523 7.790 1.00 0.00 O ATOM 1241 CB LEU A 78 -3.878 -4.451 7.223 1.00 0.00 C ATOM 1242 CG LEU A 78 -5.177 -3.744 6.836 1.00 0.00 C ATOM 1243 CD1 LEU A 78 -6.381 -4.580 7.242 1.00 0.00 C ATOM 1244 CD2 LEU A 78 -5.244 -2.364 7.474 1.00 0.00 C ATOM 0 H LEU A 78 -3.358 -5.010 4.881 1.00 0.00 H new ATOM 0 HA LEU A 78 -2.635 -2.864 6.476 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -3.990 -5.514 7.011 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -3.741 -4.353 8.300 1.00 0.00 H new ATOM 0 HG LEU A 78 -5.193 -3.623 5.753 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.297 -4.061 6.959 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -6.340 -5.545 6.738 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -6.370 -4.734 8.321 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.175 -1.876 7.187 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -5.205 -2.462 8.559 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.400 -1.764 7.133 1.00 0.00 H new ATOM 1256 N THR A 79 -1.201 -5.674 7.497 1.00 0.00 N ATOM 1257 CA THR A 79 -0.065 -6.202 8.243 1.00 0.00 C ATOM 1258 C THR A 79 1.222 -5.475 7.871 1.00 0.00 C ATOM 1259 O THR A 79 1.846 -4.829 8.712 1.00 0.00 O ATOM 1260 CB THR A 79 0.120 -7.710 7.992 1.00 0.00 C ATOM 1261 OG1 THR A 79 -1.007 -8.433 8.501 1.00 0.00 O ATOM 1262 CG2 THR A 79 1.394 -8.216 8.651 1.00 0.00 C ATOM 0 H THR A 79 -1.828 -6.387 7.124 1.00 0.00 H new ATOM 0 HA THR A 79 -0.278 -6.041 9.300 1.00 0.00 H new ATOM 0 HB THR A 79 0.198 -7.870 6.917 1.00 0.00 H new ATOM 0 HG1 THR A 79 -1.726 -8.429 7.835 1.00 0.00 H new ATOM 0 HG21 THR A 79 1.503 -9.284 8.460 1.00 0.00 H new ATOM 0 HG22 THR A 79 2.252 -7.684 8.240 1.00 0.00 H new ATOM 0 HG23 THR A 79 1.341 -8.043 9.726 1.00 0.00 H new ATOM 1270 N GLU A 80 1.614 -5.584 6.605 1.00 0.00 N ATOM 1271 CA GLU A 80 2.828 -4.936 6.123 1.00 0.00 C ATOM 1272 C GLU A 80 2.802 -3.440 6.421 1.00 0.00 C ATOM 1273 O GLU A 80 3.810 -2.858 6.824 1.00 0.00 O ATOM 1274 CB GLU A 80 2.992 -5.165 4.619 1.00 0.00 C ATOM 1275 CG GLU A 80 3.384 -6.588 4.259 1.00 0.00 C ATOM 1276 CD GLU A 80 4.887 -6.782 4.201 1.00 0.00 C ATOM 1277 OE1 GLU A 80 5.607 -6.039 4.900 1.00 0.00 O ATOM 1278 OE2 GLU A 80 5.342 -7.677 3.458 1.00 0.00 O ATOM 0 H GLU A 80 1.109 -6.115 5.895 1.00 0.00 H new ATOM 0 HA GLU A 80 3.677 -5.378 6.645 1.00 0.00 H new ATOM 0 HB2 GLU A 80 2.056 -4.917 4.118 1.00 0.00 H new ATOM 0 HB3 GLU A 80 3.749 -4.481 4.236 1.00 0.00 H new ATOM 0 HG2 GLU A 80 2.961 -7.274 4.993 1.00 0.00 H new ATOM 0 HG3 GLU A 80 2.950 -6.847 3.293 1.00 0.00 H new ATOM 1285 N LEU A 81 1.642 -2.824 6.222 1.00 0.00 N ATOM 1286 CA LEU A 81 1.483 -1.395 6.468 1.00 0.00 C ATOM 1287 C LEU A 81 1.834 -1.049 7.912 1.00 0.00 C ATOM 1288 O LEU A 81 2.337 0.038 8.195 1.00 0.00 O ATOM 1289 CB LEU A 81 0.048 -0.961 6.162 1.00 0.00 C ATOM 1290 CG LEU A 81 -0.184 -0.332 4.788 1.00 0.00 C ATOM 1291 CD1 LEU A 81 -1.665 -0.340 4.441 1.00 0.00 C ATOM 1292 CD2 LEU A 81 0.367 1.086 4.751 1.00 0.00 C ATOM 0 H LEU A 81 0.798 -3.291 5.891 1.00 0.00 H new ATOM 0 HA LEU A 81 2.166 -0.860 5.809 1.00 0.00 H new ATOM 0 HB2 LEU A 81 -0.601 -1.831 6.255 1.00 0.00 H new ATOM 0 HB3 LEU A 81 -0.265 -0.247 6.924 1.00 0.00 H new ATOM 0 HG LEU A 81 0.346 -0.926 4.043 1.00 0.00 H new ATOM 0 HD11 LEU A 81 -1.811 0.112 3.460 1.00 0.00 H new ATOM 0 HD12 LEU A 81 -2.030 -1.367 4.426 1.00 0.00 H new ATOM 0 HD13 LEU A 81 -2.217 0.230 5.188 1.00 0.00 H new ATOM 0 HD21 LEU A 81 0.193 1.518 3.766 1.00 0.00 H new ATOM 0 HD22 LEU A 81 -0.135 1.691 5.506 1.00 0.00 H new ATOM 0 HD23 LEU A 81 1.438 1.066 4.955 1.00 0.00 H new ATOM 1304 N GLU A 82 1.566 -1.982 8.820 1.00 0.00 N ATOM 1305 CA GLU A 82 1.855 -1.775 10.235 1.00 0.00 C ATOM 1306 C GLU A 82 3.360 -1.767 10.487 1.00 0.00 C ATOM 1307 O GLU A 82 3.836 -1.162 11.447 1.00 0.00 O ATOM 1308 CB GLU A 82 1.191 -2.865 11.078 1.00 0.00 C ATOM 1309 CG GLU A 82 1.464 -2.734 12.567 1.00 0.00 C ATOM 1310 CD GLU A 82 0.577 -1.700 13.234 1.00 0.00 C ATOM 1311 OE1 GLU A 82 -0.626 -1.647 12.903 1.00 0.00 O ATOM 1312 OE2 GLU A 82 1.087 -0.943 14.087 1.00 0.00 O ATOM 0 H GLU A 82 1.150 -2.887 8.602 1.00 0.00 H new ATOM 0 HA GLU A 82 1.451 -0.805 10.525 1.00 0.00 H new ATOM 0 HB2 GLU A 82 0.114 -2.836 10.911 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.541 -3.840 10.737 1.00 0.00 H new ATOM 0 HG2 GLU A 82 1.313 -3.701 13.047 1.00 0.00 H new ATOM 0 HG3 GLU A 82 2.509 -2.463 12.719 1.00 0.00 H new ATOM 1319 N ARG A 83 4.103 -2.444 9.617 1.00 0.00 N ATOM 1320 CA ARG A 83 5.553 -2.518 9.746 1.00 0.00 C ATOM 1321 C ARG A 83 6.210 -1.243 9.225 1.00 0.00 C ATOM 1322 O ARG A 83 6.964 -0.583 9.940 1.00 0.00 O ATOM 1323 CB ARG A 83 6.093 -3.730 8.986 1.00 0.00 C ATOM 1324 CG ARG A 83 5.512 -5.053 9.457 1.00 0.00 C ATOM 1325 CD ARG A 83 6.499 -6.194 9.271 1.00 0.00 C ATOM 1326 NE ARG A 83 7.574 -6.155 10.259 1.00 0.00 N ATOM 1327 CZ ARG A 83 8.316 -7.208 10.580 1.00 0.00 C ATOM 1328 NH1 ARG A 83 8.102 -8.378 9.994 1.00 0.00 N ATOM 1329 NH2 ARG A 83 9.276 -7.093 11.489 1.00 0.00 N ATOM 0 H ARG A 83 3.724 -2.949 8.816 1.00 0.00 H new ATOM 0 HA ARG A 83 5.794 -2.625 10.804 1.00 0.00 H new ATOM 0 HB2 ARG A 83 5.880 -3.607 7.924 1.00 0.00 H new ATOM 0 HB3 ARG A 83 7.177 -3.761 9.092 1.00 0.00 H new ATOM 0 HG2 ARG A 83 5.237 -4.977 10.509 1.00 0.00 H new ATOM 0 HG3 ARG A 83 4.598 -5.268 8.903 1.00 0.00 H new ATOM 0 HD2 ARG A 83 5.972 -7.145 9.346 1.00 0.00 H new ATOM 0 HD3 ARG A 83 6.926 -6.145 8.269 1.00 0.00 H new ATOM 0 HE ARG A 83 7.765 -5.270 10.728 1.00 0.00 H new ATOM 0 HH11 ARG A 83 7.366 -8.471 9.294 1.00 0.00 H new ATOM 0 HH12 ARG A 83 8.674 -9.185 10.243 1.00 0.00 H new ATOM 0 HH21 ARG A 83 9.444 -6.195 11.942 1.00 0.00 H new ATOM 0 HH22 ARG A 83 9.845 -7.903 11.735 1.00 0.00 H new ATOM 1343 N VAL A 84 5.920 -0.903 7.973 1.00 0.00 N ATOM 1344 CA VAL A 84 6.481 0.292 7.355 1.00 0.00 C ATOM 1345 C VAL A 84 6.177 1.534 8.185 1.00 0.00 C ATOM 1346 O VAL A 84 7.034 2.400 8.363 1.00 0.00 O ATOM 1347 CB VAL A 84 5.937 0.496 5.929 1.00 0.00 C ATOM 1348 CG1 VAL A 84 6.486 -0.569 4.991 1.00 0.00 C ATOM 1349 CG2 VAL A 84 4.416 0.483 5.932 1.00 0.00 C ATOM 0 H VAL A 84 5.299 -1.439 7.367 1.00 0.00 H new ATOM 0 HA VAL A 84 7.560 0.145 7.306 1.00 0.00 H new ATOM 0 HB VAL A 84 6.268 1.470 5.568 1.00 0.00 H new ATOM 0 HG11 VAL A 84 6.091 -0.409 3.988 1.00 0.00 H new ATOM 0 HG12 VAL A 84 7.574 -0.507 4.967 1.00 0.00 H new ATOM 0 HG13 VAL A 84 6.187 -1.555 5.346 1.00 0.00 H new ATOM 0 HG21 VAL A 84 4.049 0.629 4.916 1.00 0.00 H new ATOM 0 HG22 VAL A 84 4.061 -0.475 6.312 1.00 0.00 H new ATOM 0 HG23 VAL A 84 4.047 1.286 6.570 1.00 0.00 H new ATOM 1359 N ARG A 85 4.951 1.615 8.692 1.00 0.00 N ATOM 1360 CA ARG A 85 4.533 2.752 9.503 1.00 0.00 C ATOM 1361 C ARG A 85 5.178 2.701 10.885 1.00 0.00 C ATOM 1362 O ARG A 85 5.640 3.717 11.403 1.00 0.00 O ATOM 1363 CB ARG A 85 3.009 2.775 9.640 1.00 0.00 C ATOM 1364 CG ARG A 85 2.492 1.966 10.818 1.00 0.00 C ATOM 1365 CD ARG A 85 0.976 1.847 10.789 1.00 0.00 C ATOM 1366 NE ARG A 85 0.321 3.099 11.157 1.00 0.00 N ATOM 1367 CZ ARG A 85 0.092 3.467 12.413 1.00 0.00 C ATOM 1368 NH1 ARG A 85 0.464 2.682 13.415 1.00 0.00 N ATOM 1369 NH2 ARG A 85 -0.509 4.622 12.669 1.00 0.00 N ATOM 0 H ARG A 85 4.230 0.907 8.555 1.00 0.00 H new ATOM 0 HA ARG A 85 4.860 3.663 9.002 1.00 0.00 H new ATOM 0 HB2 ARG A 85 2.678 3.808 9.746 1.00 0.00 H new ATOM 0 HB3 ARG A 85 2.564 2.390 8.722 1.00 0.00 H new ATOM 0 HG2 ARG A 85 2.937 0.971 10.801 1.00 0.00 H new ATOM 0 HG3 ARG A 85 2.803 2.438 11.750 1.00 0.00 H new ATOM 0 HD2 ARG A 85 0.655 1.550 9.791 1.00 0.00 H new ATOM 0 HD3 ARG A 85 0.661 1.059 11.473 1.00 0.00 H new ATOM 0 HE ARG A 85 0.023 3.725 10.409 1.00 0.00 H new ATOM 0 HH11 ARG A 85 0.927 1.794 13.222 1.00 0.00 H new ATOM 0 HH12 ARG A 85 0.287 2.966 14.378 1.00 0.00 H new ATOM 0 HH21 ARG A 85 -0.796 5.229 11.901 1.00 0.00 H new ATOM 0 HH22 ARG A 85 -0.684 4.903 13.634 1.00 0.00 H new