USER MOD reduce.3.24.130724 H: found=0, std=0, add=269, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 269 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 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 MET CE :methyl -113:sc= -0.308 (180deg=-1.32) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.198 K(o=-0.2,f=-6.9!) USER MOD Single : A 31 HIS : no HD1:sc= -0.41 K(o=-0.41,f=-1.6) USER MOD Single : A 33 THR OG1 : rot -26:sc= 0.207 USER MOD Single : A 34 ASN : amide:sc=-0.00358 X(o=-0.0036,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 37 GLN : amide:sc= 0.452 K(o=0.45,f=-5.4!) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 128 N LYS A 10 -6.888 -2.699 1.782 1.00 0.00 N ATOM 129 CA LYS A 10 -6.715 -3.997 2.441 1.00 0.00 C ATOM 130 C LYS A 10 -5.659 -4.799 1.710 1.00 0.00 C ATOM 131 O LYS A 10 -5.950 -5.715 0.940 1.00 0.00 O ATOM 132 CB LYS A 10 -8.030 -4.767 2.523 1.00 0.00 C ATOM 133 CG LYS A 10 -9.067 -4.074 3.425 1.00 0.00 C ATOM 134 CD LYS A 10 -10.461 -4.632 3.166 1.00 0.00 C ATOM 135 CE LYS A 10 -10.897 -4.190 1.766 1.00 0.00 C ATOM 136 NZ LYS A 10 -11.739 -5.214 1.108 1.00 0.00 N ATOM 0 HA LYS A 10 -6.386 -3.823 3.466 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -8.444 -4.880 1.521 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -7.836 -5.770 2.903 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -8.800 -4.218 4.472 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -9.059 -3.000 3.239 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -10.455 -5.720 3.237 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -11.163 -4.267 3.916 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -11.450 -3.253 1.836 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -10.016 -3.995 1.155 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -12.016 -4.881 0.162 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -11.202 -6.100 1.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -12.592 -5.381 1.679 1.00 0.00 H new ATOM 150 N LEU A 11 -4.418 -4.436 1.978 1.00 0.00 N ATOM 151 CA LEU A 11 -3.242 -5.064 1.387 1.00 0.00 C ATOM 152 C LEU A 11 -3.142 -6.561 1.730 1.00 0.00 C ATOM 153 O LEU A 11 -3.579 -6.970 2.809 1.00 0.00 O ATOM 154 CB LEU A 11 -1.959 -4.314 1.814 1.00 0.00 C ATOM 155 CG LEU A 11 -1.689 -3.010 1.040 1.00 0.00 C ATOM 156 CD1 LEU A 11 -1.352 -3.276 -0.441 1.00 0.00 C ATOM 157 CD2 LEU A 11 -2.863 -2.037 1.160 1.00 0.00 C ATOM 0 H LEU A 11 -4.191 -3.681 2.625 1.00 0.00 H new ATOM 0 HA LEU A 11 -3.348 -4.996 0.304 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -2.026 -4.082 2.877 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -1.106 -4.980 1.686 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.815 -2.548 1.498 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -1.169 -2.329 -0.948 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -0.461 -3.900 -0.505 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -2.188 -3.788 -0.918 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -2.640 -1.127 0.603 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -3.762 -2.500 0.754 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -3.024 -1.789 2.209 1.00 0.00 H new ATOM 169 N PRO A 12 -2.560 -7.374 0.826 1.00 0.00 N ATOM 170 CA PRO A 12 -2.379 -8.807 1.014 1.00 0.00 C ATOM 171 C PRO A 12 -1.393 -9.102 2.140 1.00 0.00 C ATOM 172 O PRO A 12 -0.688 -8.196 2.597 1.00 0.00 O ATOM 173 CB PRO A 12 -1.791 -9.354 -0.293 1.00 0.00 C ATOM 174 CG PRO A 12 -1.372 -8.149 -1.117 1.00 0.00 C ATOM 175 CD PRO A 12 -2.020 -6.943 -0.448 1.00 0.00 C ATOM 0 HA PRO A 12 -3.334 -9.265 1.270 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -0.938 -10.002 -0.093 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -2.528 -9.953 -0.829 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -0.287 -8.048 -1.138 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -1.703 -8.248 -2.151 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -1.288 -6.149 -0.302 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -2.810 -6.536 -1.079 1.00 0.00 H new ATOM 183 N PRO A 13 -1.288 -10.375 2.556 1.00 0.00 N ATOM 184 CA PRO A 13 -0.357 -10.755 3.591 1.00 0.00 C ATOM 185 C PRO A 13 1.055 -10.405 3.119 1.00 0.00 C ATOM 186 O PRO A 13 1.438 -10.622 1.965 1.00 0.00 O ATOM 187 CB PRO A 13 -0.558 -12.249 3.831 1.00 0.00 C ATOM 188 CG PRO A 13 -1.247 -12.748 2.562 1.00 0.00 C ATOM 189 CD PRO A 13 -2.047 -11.534 2.107 1.00 0.00 C ATOM 0 HA PRO A 13 -0.516 -10.228 4.532 1.00 0.00 H new ATOM 0 HB2 PRO A 13 0.393 -12.757 3.993 1.00 0.00 H new ATOM 0 HB3 PRO A 13 -1.171 -12.431 4.714 1.00 0.00 H new ATOM 0 HG2 PRO A 13 -0.525 -13.062 1.808 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -1.891 -13.604 2.762 1.00 0.00 H new ATOM 0 HD2 PRO A 13 -2.168 -11.528 1.024 1.00 0.00 H new ATOM 0 HD3 PRO A 13 -3.047 -11.539 2.540 1.00 0.00 H new ATOM 197 N GLY A 14 1.800 -9.817 4.037 1.00 0.00 N ATOM 198 CA GLY A 14 3.170 -9.365 3.897 1.00 0.00 C ATOM 199 C GLY A 14 3.290 -7.903 3.505 1.00 0.00 C ATOM 200 O GLY A 14 4.263 -7.256 3.886 1.00 0.00 O ATOM 0 H GLY A 14 1.434 -9.629 4.970 1.00 0.00 H new ATOM 0 HA2 GLY A 14 3.695 -9.524 4.839 1.00 0.00 H new ATOM 0 HA3 GLY A 14 3.671 -9.976 3.146 1.00 0.00 H new ATOM 204 N TRP A 15 2.311 -7.351 2.791 1.00 0.00 N ATOM 205 CA TRP A 15 2.356 -5.967 2.354 1.00 0.00 C ATOM 206 C TRP A 15 1.705 -5.034 3.375 1.00 0.00 C ATOM 207 O TRP A 15 0.767 -5.392 4.092 1.00 0.00 O ATOM 208 CB TRP A 15 1.669 -5.854 0.999 1.00 0.00 C ATOM 209 CG TRP A 15 2.398 -6.541 -0.108 1.00 0.00 C ATOM 210 CD1 TRP A 15 2.320 -7.848 -0.448 1.00 0.00 C ATOM 211 CD2 TRP A 15 3.363 -5.950 -1.017 1.00 0.00 C ATOM 212 NE1 TRP A 15 3.121 -8.080 -1.549 1.00 0.00 N ATOM 213 CE2 TRP A 15 3.801 -6.946 -1.934 1.00 0.00 C ATOM 214 CE3 TRP A 15 3.902 -4.656 -1.152 1.00 0.00 C ATOM 215 CZ2 TRP A 15 4.739 -6.671 -2.939 1.00 0.00 C ATOM 216 CZ3 TRP A 15 4.826 -4.364 -2.172 1.00 0.00 C ATOM 217 CH2 TRP A 15 5.249 -5.367 -3.064 1.00 0.00 C ATOM 0 H TRP A 15 1.470 -7.852 2.503 1.00 0.00 H new ATOM 0 HA TRP A 15 3.398 -5.659 2.263 1.00 0.00 H new ATOM 0 HB2 TRP A 15 0.666 -6.273 1.075 1.00 0.00 H new ATOM 0 HB3 TRP A 15 1.556 -4.800 0.747 1.00 0.00 H new ATOM 0 HD1 TRP A 15 1.725 -8.592 0.061 1.00 0.00 H new ATOM 0 HE1 TRP A 15 3.199 -8.982 -2.020 1.00 0.00 H new ATOM 0 HE3 TRP A 15 3.603 -3.879 -0.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 15 5.066 -7.452 -3.609 1.00 0.00 H new ATOM 0 HZ3 TRP A 15 5.214 -3.361 -2.271 1.00 0.00 H new ATOM 0 HH2 TRP A 15 5.962 -5.136 -3.841 1.00 0.00 H new ATOM 228 N GLU A 16 2.148 -3.783 3.354 1.00 0.00 N ATOM 229 CA GLU A 16 1.725 -2.698 4.221 1.00 0.00 C ATOM 230 C GLU A 16 1.665 -1.407 3.423 1.00 0.00 C ATOM 231 O GLU A 16 2.585 -1.115 2.669 1.00 0.00 O ATOM 232 CB GLU A 16 2.807 -2.497 5.297 1.00 0.00 C ATOM 233 CG GLU A 16 2.686 -3.484 6.457 1.00 0.00 C ATOM 234 CD GLU A 16 1.838 -2.881 7.566 1.00 0.00 C ATOM 235 OE1 GLU A 16 0.590 -2.887 7.470 1.00 0.00 O ATOM 236 OE2 GLU A 16 2.428 -2.321 8.517 1.00 0.00 O ATOM 0 H GLU A 16 2.858 -3.483 2.686 1.00 0.00 H new ATOM 0 HA GLU A 16 0.753 -2.936 4.652 1.00 0.00 H new ATOM 0 HB2 GLU A 16 3.791 -2.602 4.839 1.00 0.00 H new ATOM 0 HB3 GLU A 16 2.742 -1.480 5.684 1.00 0.00 H new ATOM 0 HG2 GLU A 16 2.236 -4.414 6.109 1.00 0.00 H new ATOM 0 HG3 GLU A 16 3.676 -3.732 6.839 1.00 0.00 H new ATOM 243 N LYS A 17 0.598 -0.629 3.569 1.00 0.00 N ATOM 244 CA LYS A 17 0.452 0.657 2.897 1.00 0.00 C ATOM 245 C LYS A 17 1.070 1.719 3.798 1.00 0.00 C ATOM 246 O LYS A 17 0.616 1.900 4.934 1.00 0.00 O ATOM 247 CB LYS A 17 -1.024 0.932 2.627 1.00 0.00 C ATOM 248 CG LYS A 17 -1.267 2.293 1.960 1.00 0.00 C ATOM 249 CD LYS A 17 -2.767 2.523 1.729 1.00 0.00 C ATOM 250 CE LYS A 17 -2.935 3.820 0.943 1.00 0.00 C ATOM 251 NZ LYS A 17 -4.327 4.066 0.533 1.00 0.00 N ATOM 0 H LYS A 17 -0.195 -0.875 4.161 1.00 0.00 H new ATOM 0 HA LYS A 17 0.961 0.662 1.933 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -1.424 0.144 1.989 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.574 0.891 3.567 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -0.864 3.088 2.587 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -0.736 2.338 1.009 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.200 1.687 1.180 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.293 2.585 2.682 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -2.588 4.655 1.552 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.301 3.786 0.057 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -4.380 4.960 0.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -4.654 3.285 -0.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.932 4.127 1.377 1.00 0.00 H new ATOM 265 N ARG A 18 2.112 2.395 3.319 1.00 0.00 N ATOM 266 CA ARG A 18 2.806 3.447 4.057 1.00 0.00 C ATOM 267 C ARG A 18 2.961 4.676 3.178 1.00 0.00 C ATOM 268 O ARG A 18 2.561 4.689 2.016 1.00 0.00 O ATOM 269 CB ARG A 18 4.163 2.971 4.607 1.00 0.00 C ATOM 270 CG ARG A 18 4.128 1.611 5.334 1.00 0.00 C ATOM 271 CD ARG A 18 4.899 1.614 6.659 1.00 0.00 C ATOM 272 NE ARG A 18 4.614 0.391 7.439 1.00 0.00 N ATOM 273 CZ ARG A 18 5.406 -0.227 8.325 1.00 0.00 C ATOM 274 NH1 ARG A 18 6.610 0.246 8.618 1.00 0.00 N ATOM 275 NH2 ARG A 18 4.994 -1.330 8.942 1.00 0.00 N ATOM 0 H ARG A 18 2.504 2.224 2.393 1.00 0.00 H new ATOM 0 HA ARG A 18 2.200 3.710 4.924 1.00 0.00 H new ATOM 0 HB2 ARG A 18 4.871 2.907 3.781 1.00 0.00 H new ATOM 0 HB3 ARG A 18 4.544 3.725 5.296 1.00 0.00 H new ATOM 0 HG2 ARG A 18 3.091 1.335 5.525 1.00 0.00 H new ATOM 0 HG3 ARG A 18 4.546 0.846 4.680 1.00 0.00 H new ATOM 0 HD2 ARG A 18 5.969 1.683 6.462 1.00 0.00 H new ATOM 0 HD3 ARG A 18 4.625 2.494 7.242 1.00 0.00 H new ATOM 0 HE ARG A 18 3.701 -0.035 7.283 1.00 0.00 H new ATOM 0 HH11 ARG A 18 6.948 1.095 8.166 1.00 0.00 H new ATOM 0 HH12 ARG A 18 7.198 -0.240 9.296 1.00 0.00 H new ATOM 0 HH21 ARG A 18 4.069 -1.711 8.742 1.00 0.00 H new ATOM 0 HH22 ARG A 18 5.603 -1.795 9.615 1.00 0.00 H new ATOM 289 N MET A 19 3.562 5.722 3.732 1.00 0.00 N ATOM 290 CA MET A 19 3.803 6.981 3.071 1.00 0.00 C ATOM 291 C MET A 19 5.224 7.430 3.391 1.00 0.00 C ATOM 292 O MET A 19 5.717 7.255 4.506 1.00 0.00 O ATOM 293 CB MET A 19 2.766 8.012 3.534 1.00 0.00 C ATOM 294 CG MET A 19 2.854 9.277 2.680 1.00 0.00 C ATOM 295 SD MET A 19 2.228 10.786 3.449 1.00 0.00 S ATOM 296 CE MET A 19 3.617 11.173 4.545 1.00 0.00 C ATOM 0 H MET A 19 3.905 5.707 4.692 1.00 0.00 H new ATOM 0 HA MET A 19 3.704 6.877 1.991 1.00 0.00 H new ATOM 0 HB2 MET A 19 1.765 7.587 3.464 1.00 0.00 H new ATOM 0 HB3 MET A 19 2.934 8.261 4.582 1.00 0.00 H new ATOM 0 HG2 MET A 19 3.897 9.436 2.406 1.00 0.00 H new ATOM 0 HG3 MET A 19 2.304 9.107 1.755 1.00 0.00 H new ATOM 0 HE1 MET A 19 3.303 11.061 5.583 1.00 0.00 H new ATOM 0 HE2 MET A 19 4.443 10.492 4.340 1.00 0.00 H new ATOM 0 HE3 MET A 19 3.942 12.199 4.372 1.00 0.00 H new ATOM 306 N GLU A 20 5.894 7.994 2.396 1.00 0.00 N ATOM 307 CA GLU A 20 7.247 8.507 2.474 1.00 0.00 C ATOM 308 C GLU A 20 7.222 9.782 3.303 1.00 0.00 C ATOM 309 O GLU A 20 6.668 10.772 2.834 1.00 0.00 O ATOM 310 CB GLU A 20 7.757 8.829 1.057 1.00 0.00 C ATOM 311 CG GLU A 20 7.855 7.554 0.221 1.00 0.00 C ATOM 312 CD GLU A 20 8.581 7.740 -1.110 1.00 0.00 C ATOM 313 OE1 GLU A 20 8.534 8.846 -1.700 1.00 0.00 O ATOM 314 OE2 GLU A 20 9.241 6.773 -1.552 1.00 0.00 O ATOM 0 H GLU A 20 5.485 8.110 1.469 1.00 0.00 H new ATOM 0 HA GLU A 20 7.906 7.769 2.931 1.00 0.00 H new ATOM 0 HB2 GLU A 20 7.083 9.537 0.574 1.00 0.00 H new ATOM 0 HB3 GLU A 20 8.734 9.308 1.116 1.00 0.00 H new ATOM 0 HG2 GLU A 20 8.372 6.790 0.802 1.00 0.00 H new ATOM 0 HG3 GLU A 20 6.850 7.181 0.026 1.00 0.00 H new ATOM 321 N ARG A 21 7.753 9.798 4.528 1.00 0.00 N ATOM 322 CA ARG A 21 7.771 11.024 5.336 1.00 0.00 C ATOM 323 C ARG A 21 8.723 12.069 4.719 1.00 0.00 C ATOM 324 O ARG A 21 8.812 13.185 5.226 1.00 0.00 O ATOM 325 CB ARG A 21 8.164 10.693 6.790 1.00 0.00 C ATOM 326 CG ARG A 21 7.421 11.569 7.812 1.00 0.00 C ATOM 327 CD ARG A 21 8.016 11.522 9.230 1.00 0.00 C ATOM 328 NE ARG A 21 8.365 10.163 9.681 1.00 0.00 N ATOM 329 CZ ARG A 21 9.598 9.685 9.901 1.00 0.00 C ATOM 330 NH1 ARG A 21 10.684 10.414 9.677 1.00 0.00 N ATOM 331 NH2 ARG A 21 9.731 8.447 10.347 1.00 0.00 N ATOM 0 H ARG A 21 8.173 8.986 4.980 1.00 0.00 H new ATOM 0 HA ARG A 21 6.771 11.457 5.345 1.00 0.00 H new ATOM 0 HB2 ARG A 21 7.950 9.643 6.991 1.00 0.00 H new ATOM 0 HB3 ARG A 21 9.239 10.828 6.913 1.00 0.00 H new ATOM 0 HG2 ARG A 21 7.426 12.601 7.462 1.00 0.00 H new ATOM 0 HG3 ARG A 21 6.379 11.252 7.856 1.00 0.00 H new ATOM 0 HD2 ARG A 21 8.909 12.146 9.261 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.301 11.955 9.929 1.00 0.00 H new ATOM 0 HE ARG A 21 7.589 9.521 9.842 1.00 0.00 H new ATOM 0 HH11 ARG A 21 10.595 11.368 9.327 1.00 0.00 H new ATOM 0 HH12 ARG A 21 11.608 10.020 9.855 1.00 0.00 H new ATOM 0 HH21 ARG A 21 8.904 7.875 10.517 1.00 0.00 H new ATOM 0 HH22 ARG A 21 10.661 8.065 10.521 1.00 0.00 H new ATOM 345 N SER A 22 9.470 11.712 3.671 1.00 0.00 N ATOM 346 CA SER A 22 10.416 12.554 2.960 1.00 0.00 C ATOM 347 C SER A 22 9.679 13.558 2.064 1.00 0.00 C ATOM 348 O SER A 22 9.795 14.767 2.281 1.00 0.00 O ATOM 349 CB SER A 22 11.328 11.614 2.154 1.00 0.00 C ATOM 350 OG SER A 22 12.390 12.276 1.514 1.00 0.00 O ATOM 0 H SER A 22 9.423 10.772 3.279 1.00 0.00 H new ATOM 0 HA SER A 22 11.015 13.151 3.648 1.00 0.00 H new ATOM 0 HB2 SER A 22 11.734 10.854 2.822 1.00 0.00 H new ATOM 0 HB3 SER A 22 10.730 11.094 1.405 1.00 0.00 H new ATOM 0 HG SER A 22 12.932 11.625 1.021 1.00 0.00 H new ATOM 356 N SER A 23 8.827 13.076 1.151 1.00 0.00 N ATOM 357 CA SER A 23 8.075 13.909 0.206 1.00 0.00 C ATOM 358 C SER A 23 6.555 13.757 0.309 1.00 0.00 C ATOM 359 O SER A 23 5.813 14.555 -0.274 1.00 0.00 O ATOM 360 CB SER A 23 8.547 13.556 -1.206 1.00 0.00 C ATOM 361 OG SER A 23 9.949 13.713 -1.315 1.00 0.00 O ATOM 0 H SER A 23 8.638 12.079 1.047 1.00 0.00 H new ATOM 0 HA SER A 23 8.275 14.952 0.452 1.00 0.00 H new ATOM 0 HB2 SER A 23 8.271 12.528 -1.441 1.00 0.00 H new ATOM 0 HB3 SER A 23 8.046 14.195 -1.933 1.00 0.00 H new ATOM 0 HG SER A 23 10.234 13.482 -2.223 1.00 0.00 H new ATOM 367 N GLY A 24 6.062 12.755 1.036 1.00 0.00 N ATOM 368 CA GLY A 24 4.637 12.545 1.201 1.00 0.00 C ATOM 369 C GLY A 24 4.060 11.799 0.020 1.00 0.00 C ATOM 370 O GLY A 24 3.144 12.291 -0.635 1.00 0.00 O ATOM 0 H GLY A 24 6.642 12.072 1.523 1.00 0.00 H new ATOM 0 HA2 GLY A 24 4.452 11.983 2.116 1.00 0.00 H new ATOM 0 HA3 GLY A 24 4.134 13.506 1.310 1.00 0.00 H new ATOM 374 N ARG A 25 4.596 10.609 -0.262 1.00 0.00 N ATOM 375 CA ARG A 25 4.141 9.782 -1.364 1.00 0.00 C ATOM 376 C ARG A 25 3.669 8.473 -0.775 1.00 0.00 C ATOM 377 O ARG A 25 4.385 7.897 0.039 1.00 0.00 O ATOM 378 CB ARG A 25 5.298 9.595 -2.346 1.00 0.00 C ATOM 379 CG ARG A 25 4.793 9.489 -3.782 1.00 0.00 C ATOM 380 CD ARG A 25 4.310 10.829 -4.350 1.00 0.00 C ATOM 381 NE ARG A 25 5.384 11.820 -4.480 1.00 0.00 N ATOM 382 CZ ARG A 25 5.242 12.990 -5.113 1.00 0.00 C ATOM 383 NH1 ARG A 25 4.082 13.315 -5.674 1.00 0.00 N ATOM 384 NH2 ARG A 25 6.268 13.818 -5.193 1.00 0.00 N ATOM 0 H ARG A 25 5.360 10.197 0.274 1.00 0.00 H new ATOM 0 HA ARG A 25 3.318 10.237 -1.915 1.00 0.00 H new ATOM 0 HB2 ARG A 25 5.989 10.434 -2.262 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.856 8.695 -2.087 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.591 9.100 -4.414 1.00 0.00 H new ATOM 0 HG3 ARG A 25 3.976 8.769 -3.821 1.00 0.00 H new ATOM 0 HD2 ARG A 25 3.859 10.661 -5.328 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.530 11.231 -3.704 1.00 0.00 H new ATOM 0 HE ARG A 25 6.290 11.605 -4.064 1.00 0.00 H new ATOM 0 HH11 ARG A 25 3.293 12.671 -5.624 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.981 14.209 -6.155 1.00 0.00 H new ATOM 0 HH21 ARG A 25 7.162 13.564 -4.773 1.00 0.00 H new ATOM 0 HH22 ARG A 25 6.166 14.711 -5.674 1.00 0.00 H new ATOM 398 N VAL A 26 2.444 8.065 -1.068 1.00 0.00 N ATOM 399 CA VAL A 26 1.890 6.819 -0.544 1.00 0.00 C ATOM 400 C VAL A 26 2.414 5.679 -1.404 1.00 0.00 C ATOM 401 O VAL A 26 2.641 5.883 -2.595 1.00 0.00 O ATOM 402 CB VAL A 26 0.354 6.842 -0.518 1.00 0.00 C ATOM 403 CG1 VAL A 26 -0.167 5.761 0.439 1.00 0.00 C ATOM 404 CG2 VAL A 26 -0.174 8.204 -0.047 1.00 0.00 C ATOM 0 H VAL A 26 1.806 8.583 -1.672 1.00 0.00 H new ATOM 0 HA VAL A 26 2.205 6.684 0.491 1.00 0.00 H new ATOM 0 HB VAL A 26 0.003 6.655 -1.533 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.257 5.782 0.453 1.00 0.00 H new ATOM 0 HG12 VAL A 26 0.173 4.782 0.101 1.00 0.00 H new ATOM 0 HG13 VAL A 26 0.213 5.950 1.443 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -1.264 8.189 -0.039 1.00 0.00 H new ATOM 0 HG22 VAL A 26 0.193 8.409 0.959 1.00 0.00 H new ATOM 0 HG23 VAL A 26 0.173 8.983 -0.725 1.00 0.00 H new ATOM 414 N TYR A 27 2.633 4.505 -0.817 1.00 0.00 N ATOM 415 CA TYR A 27 3.140 3.344 -1.526 1.00 0.00 C ATOM 416 C TYR A 27 2.850 2.107 -0.687 1.00 0.00 C ATOM 417 O TYR A 27 2.341 2.205 0.432 1.00 0.00 O ATOM 418 CB TYR A 27 4.655 3.504 -1.763 1.00 0.00 C ATOM 419 CG TYR A 27 5.541 3.415 -0.533 1.00 0.00 C ATOM 420 CD1 TYR A 27 5.550 4.441 0.431 1.00 0.00 C ATOM 421 CD2 TYR A 27 6.349 2.284 -0.349 1.00 0.00 C ATOM 422 CE1 TYR A 27 6.327 4.317 1.595 1.00 0.00 C ATOM 423 CE2 TYR A 27 7.144 2.160 0.804 1.00 0.00 C ATOM 424 CZ TYR A 27 7.129 3.171 1.792 1.00 0.00 C ATOM 425 OH TYR A 27 7.857 3.027 2.934 1.00 0.00 O ATOM 0 H TYR A 27 2.460 4.336 0.174 1.00 0.00 H new ATOM 0 HA TYR A 27 2.654 3.244 -2.497 1.00 0.00 H new ATOM 0 HB2 TYR A 27 4.973 2.738 -2.470 1.00 0.00 H new ATOM 0 HB3 TYR A 27 4.827 4.469 -2.239 1.00 0.00 H new ATOM 0 HD1 TYR A 27 4.956 5.329 0.275 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.361 1.504 -1.096 1.00 0.00 H new ATOM 0 HE1 TYR A 27 6.311 5.099 2.340 1.00 0.00 H new ATOM 0 HE2 TYR A 27 7.769 1.289 0.935 1.00 0.00 H new ATOM 0 HH TYR A 27 8.349 2.180 2.904 1.00 0.00 H new ATOM 435 N TYR A 28 3.226 0.937 -1.180 1.00 0.00 N ATOM 436 CA TYR A 28 3.041 -0.334 -0.500 1.00 0.00 C ATOM 437 C TYR A 28 4.426 -0.923 -0.249 1.00 0.00 C ATOM 438 O TYR A 28 5.310 -0.762 -1.089 1.00 0.00 O ATOM 439 CB TYR A 28 2.153 -1.235 -1.355 1.00 0.00 C ATOM 440 CG TYR A 28 0.816 -0.610 -1.731 1.00 0.00 C ATOM 441 CD1 TYR A 28 -0.096 -0.226 -0.733 1.00 0.00 C ATOM 442 CD2 TYR A 28 0.488 -0.388 -3.078 1.00 0.00 C ATOM 443 CE1 TYR A 28 -1.333 0.355 -1.072 1.00 0.00 C ATOM 444 CE2 TYR A 28 -0.750 0.182 -3.424 1.00 0.00 C ATOM 445 CZ TYR A 28 -1.673 0.563 -2.426 1.00 0.00 C ATOM 446 OH TYR A 28 -2.872 1.111 -2.785 1.00 0.00 O ATOM 0 H TYR A 28 3.680 0.844 -2.088 1.00 0.00 H new ATOM 0 HA TYR A 28 2.537 -0.221 0.460 1.00 0.00 H new ATOM 0 HB2 TYR A 28 2.689 -1.497 -2.267 1.00 0.00 H new ATOM 0 HB3 TYR A 28 1.969 -2.164 -0.816 1.00 0.00 H new ATOM 0 HD1 TYR A 28 0.155 -0.378 0.306 1.00 0.00 H new ATOM 0 HD2 TYR A 28 1.191 -0.657 -3.853 1.00 0.00 H new ATOM 0 HE1 TYR A 28 -2.024 0.642 -0.293 1.00 0.00 H new ATOM 0 HE2 TYR A 28 -0.998 0.330 -4.465 1.00 0.00 H new ATOM 0 HH TYR A 28 -2.923 1.176 -3.762 1.00 0.00 H new ATOM 456 N PHE A 29 4.626 -1.625 0.864 1.00 0.00 N ATOM 457 CA PHE A 29 5.903 -2.219 1.240 1.00 0.00 C ATOM 458 C PHE A 29 5.695 -3.643 1.721 1.00 0.00 C ATOM 459 O PHE A 29 4.849 -3.870 2.584 1.00 0.00 O ATOM 460 CB PHE A 29 6.563 -1.390 2.351 1.00 0.00 C ATOM 461 CG PHE A 29 7.975 -1.845 2.666 1.00 0.00 C ATOM 462 CD1 PHE A 29 8.198 -2.909 3.561 1.00 0.00 C ATOM 463 CD2 PHE A 29 9.070 -1.248 2.014 1.00 0.00 C ATOM 464 CE1 PHE A 29 9.502 -3.372 3.797 1.00 0.00 C ATOM 465 CE2 PHE A 29 10.374 -1.703 2.255 1.00 0.00 C ATOM 466 CZ PHE A 29 10.589 -2.759 3.153 1.00 0.00 C ATOM 0 H PHE A 29 3.886 -1.800 1.544 1.00 0.00 H new ATOM 0 HA PHE A 29 6.554 -2.229 0.366 1.00 0.00 H new ATOM 0 HB2 PHE A 29 6.582 -0.342 2.053 1.00 0.00 H new ATOM 0 HB3 PHE A 29 5.956 -1.453 3.254 1.00 0.00 H new ATOM 0 HD1 PHE A 29 7.363 -3.370 4.067 1.00 0.00 H new ATOM 0 HD2 PHE A 29 8.905 -0.434 1.324 1.00 0.00 H new ATOM 0 HE1 PHE A 29 9.669 -4.198 4.472 1.00 0.00 H new ATOM 0 HE2 PHE A 29 11.210 -1.242 1.751 1.00 0.00 H new ATOM 0 HZ PHE A 29 11.594 -3.102 3.350 1.00 0.00 H new ATOM 476 N ASN A 30 6.445 -4.594 1.171 1.00 0.00 N ATOM 477 CA ASN A 30 6.380 -6.010 1.531 1.00 0.00 C ATOM 478 C ASN A 30 7.501 -6.407 2.488 1.00 0.00 C ATOM 479 O ASN A 30 8.639 -6.577 2.043 1.00 0.00 O ATOM 480 CB ASN A 30 6.503 -6.901 0.292 1.00 0.00 C ATOM 481 CG ASN A 30 6.039 -8.322 0.582 1.00 0.00 C ATOM 482 OD1 ASN A 30 5.896 -8.715 1.732 1.00 0.00 O ATOM 483 ND2 ASN A 30 5.830 -9.136 -0.437 1.00 0.00 N ATOM 0 H ASN A 30 7.133 -4.398 0.444 1.00 0.00 H new ATOM 0 HA ASN A 30 5.413 -6.152 2.013 1.00 0.00 H new ATOM 0 HB2 ASN A 30 5.910 -6.481 -0.520 1.00 0.00 H new ATOM 0 HB3 ASN A 30 7.539 -6.917 -0.046 1.00 0.00 H new ATOM 0 HD21 ASN A 30 5.547 -10.101 -0.269 1.00 0.00 H new ATOM 0 HD22 ASN A 30 5.952 -8.799 -1.392 1.00 0.00 H new ATOM 490 N HIS A 31 7.231 -6.607 3.778 1.00 0.00 N ATOM 491 CA HIS A 31 8.283 -7.002 4.717 1.00 0.00 C ATOM 492 C HIS A 31 8.781 -8.430 4.486 1.00 0.00 C ATOM 493 O HIS A 31 9.831 -8.799 5.010 1.00 0.00 O ATOM 494 CB HIS A 31 7.801 -6.875 6.163 1.00 0.00 C ATOM 495 CG HIS A 31 6.776 -7.905 6.571 1.00 0.00 C ATOM 496 ND1 HIS A 31 7.028 -9.209 6.940 1.00 0.00 N ATOM 497 CD2 HIS A 31 5.428 -7.710 6.639 1.00 0.00 C ATOM 498 CE1 HIS A 31 5.849 -9.793 7.202 1.00 0.00 C ATOM 499 NE2 HIS A 31 4.844 -8.916 7.042 1.00 0.00 N ATOM 0 H HIS A 31 6.305 -6.504 4.194 1.00 0.00 H new ATOM 0 HA HIS A 31 9.114 -6.320 4.537 1.00 0.00 H new ATOM 0 HB2 HIS A 31 8.661 -6.953 6.828 1.00 0.00 H new ATOM 0 HB3 HIS A 31 7.376 -5.881 6.306 1.00 0.00 H new ATOM 0 HD2 HIS A 31 4.905 -6.790 6.421 1.00 0.00 H new ATOM 0 HE1 HIS A 31 5.725 -10.824 7.500 1.00 0.00 H new ATOM 0 HE2 HIS A 31 3.850 -9.094 7.186 1.00 0.00 H new ATOM 507 N ILE A 32 8.050 -9.247 3.724 1.00 0.00 N ATOM 508 CA ILE A 32 8.426 -10.634 3.458 1.00 0.00 C ATOM 509 C ILE A 32 9.730 -10.674 2.677 1.00 0.00 C ATOM 510 O ILE A 32 10.558 -11.557 2.905 1.00 0.00 O ATOM 511 CB ILE A 32 7.300 -11.366 2.685 1.00 0.00 C ATOM 512 CG1 ILE A 32 6.054 -11.517 3.583 1.00 0.00 C ATOM 513 CG2 ILE A 32 7.761 -12.727 2.158 1.00 0.00 C ATOM 514 CD1 ILE A 32 4.853 -12.188 2.895 1.00 0.00 C ATOM 0 H ILE A 32 7.180 -8.963 3.274 1.00 0.00 H new ATOM 0 HA ILE A 32 8.570 -11.149 4.408 1.00 0.00 H new ATOM 0 HB ILE A 32 7.040 -10.760 1.817 1.00 0.00 H new ATOM 0 HG12 ILE A 32 6.324 -12.099 4.464 1.00 0.00 H new ATOM 0 HG13 ILE A 32 5.752 -10.530 3.933 1.00 0.00 H new ATOM 0 HG21 ILE A 32 6.942 -13.206 1.623 1.00 0.00 H new ATOM 0 HG22 ILE A 32 8.605 -12.589 1.482 1.00 0.00 H new ATOM 0 HG23 ILE A 32 8.066 -13.357 2.994 1.00 0.00 H new ATOM 0 HD11 ILE A 32 4.022 -12.254 3.597 1.00 0.00 H new ATOM 0 HD12 ILE A 32 4.552 -11.596 2.030 1.00 0.00 H new ATOM 0 HD13 ILE A 32 5.133 -13.190 2.569 1.00 0.00 H new ATOM 526 N THR A 33 9.879 -9.770 1.710 1.00 0.00 N ATOM 527 CA THR A 33 11.065 -9.712 0.867 1.00 0.00 C ATOM 528 C THR A 33 11.727 -8.331 0.891 1.00 0.00 C ATOM 529 O THR A 33 12.700 -8.103 0.171 1.00 0.00 O ATOM 530 CB THR A 33 10.648 -10.281 -0.500 1.00 0.00 C ATOM 531 OG1 THR A 33 11.710 -10.394 -1.418 1.00 0.00 O ATOM 532 CG2 THR A 33 9.496 -9.507 -1.142 1.00 0.00 C ATOM 0 H THR A 33 9.180 -9.060 1.492 1.00 0.00 H new ATOM 0 HA THR A 33 11.884 -10.329 1.236 1.00 0.00 H new ATOM 0 HB THR A 33 10.304 -11.289 -0.268 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.404 -9.738 -1.198 1.00 0.00 H new ATOM 0 HG21 THR A 33 9.247 -9.956 -2.104 1.00 0.00 H new ATOM 0 HG22 THR A 33 8.624 -9.543 -0.488 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.794 -8.469 -1.292 1.00 0.00 H new ATOM 540 N ASN A 34 11.260 -7.416 1.751 1.00 0.00 N ATOM 541 CA ASN A 34 11.780 -6.049 1.864 1.00 0.00 C ATOM 542 C ASN A 34 11.583 -5.315 0.526 1.00 0.00 C ATOM 543 O ASN A 34 12.475 -4.626 0.027 1.00 0.00 O ATOM 544 CB ASN A 34 13.240 -6.074 2.365 1.00 0.00 C ATOM 545 CG ASN A 34 13.698 -4.763 2.984 1.00 0.00 C ATOM 546 OD1 ASN A 34 14.333 -3.922 2.356 1.00 0.00 O ATOM 547 ND2 ASN A 34 13.438 -4.573 4.261 1.00 0.00 N ATOM 0 H ASN A 34 10.496 -7.610 2.399 1.00 0.00 H new ATOM 0 HA ASN A 34 11.224 -5.483 2.611 1.00 0.00 H new ATOM 0 HB2 ASN A 34 13.348 -6.870 3.101 1.00 0.00 H new ATOM 0 HB3 ASN A 34 13.897 -6.320 1.531 1.00 0.00 H new ATOM 0 HD21 ASN A 34 13.765 -3.727 4.728 1.00 0.00 H new ATOM 0 HD22 ASN A 34 12.910 -5.272 4.783 1.00 0.00 H new ATOM 554 N ALA A 35 10.464 -5.596 -0.151 1.00 0.00 N ATOM 555 CA ALA A 35 10.088 -5.003 -1.430 1.00 0.00 C ATOM 556 C ALA A 35 9.117 -3.857 -1.179 1.00 0.00 C ATOM 557 O ALA A 35 8.690 -3.612 -0.054 1.00 0.00 O ATOM 558 CB ALA A 35 9.454 -6.045 -2.366 1.00 0.00 C ATOM 0 H ALA A 35 9.775 -6.266 0.192 1.00 0.00 H new ATOM 0 HA ALA A 35 10.986 -4.627 -1.920 1.00 0.00 H new ATOM 0 HB1 ALA A 35 9.185 -5.571 -3.310 1.00 0.00 H new ATOM 0 HB2 ALA A 35 10.167 -6.848 -2.553 1.00 0.00 H new ATOM 0 HB3 ALA A 35 8.559 -6.457 -1.899 1.00 0.00 H new ATOM 564 N SER A 36 8.743 -3.163 -2.238 1.00 0.00 N ATOM 565 CA SER A 36 7.823 -2.060 -2.241 1.00 0.00 C ATOM 566 C SER A 36 7.325 -1.822 -3.652 1.00 0.00 C ATOM 567 O SER A 36 8.032 -2.131 -4.618 1.00 0.00 O ATOM 568 CB SER A 36 8.508 -0.827 -1.649 1.00 0.00 C ATOM 569 OG SER A 36 9.406 -0.132 -2.496 1.00 0.00 O ATOM 0 H SER A 36 9.099 -3.373 -3.170 1.00 0.00 H new ATOM 0 HA SER A 36 6.955 -2.283 -1.621 1.00 0.00 H new ATOM 0 HB2 SER A 36 7.735 -0.130 -1.327 1.00 0.00 H new ATOM 0 HB3 SER A 36 9.052 -1.135 -0.756 1.00 0.00 H new ATOM 0 HG SER A 36 9.781 0.635 -2.016 1.00 0.00 H new ATOM 575 N GLN A 37 6.109 -1.301 -3.778 1.00 0.00 N ATOM 576 CA GLN A 37 5.529 -0.994 -5.064 1.00 0.00 C ATOM 577 C GLN A 37 4.459 0.086 -4.875 1.00 0.00 C ATOM 578 O GLN A 37 4.107 0.446 -3.755 1.00 0.00 O ATOM 579 CB GLN A 37 4.947 -2.265 -5.728 1.00 0.00 C ATOM 580 CG GLN A 37 5.741 -2.807 -6.923 1.00 0.00 C ATOM 581 CD GLN A 37 5.905 -1.803 -8.059 1.00 0.00 C ATOM 582 OE1 GLN A 37 5.205 -0.791 -8.150 1.00 0.00 O ATOM 583 NE2 GLN A 37 6.851 -2.044 -8.941 1.00 0.00 N ATOM 0 H GLN A 37 5.504 -1.083 -2.986 1.00 0.00 H new ATOM 0 HA GLN A 37 6.301 -0.617 -5.735 1.00 0.00 H new ATOM 0 HB2 GLN A 37 4.878 -3.049 -4.974 1.00 0.00 H new ATOM 0 HB3 GLN A 37 3.931 -2.049 -6.057 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.728 -3.118 -6.580 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.241 -3.697 -7.306 1.00 0.00 H new ATOM 0 HE21 GLN A 37 7.424 -2.883 -8.857 1.00 0.00 H new ATOM 0 HE22 GLN A 37 7.011 -1.391 -9.708 1.00 0.00 H new ATOM 592 N TRP A 38 3.965 0.638 -5.976 1.00 0.00 N ATOM 593 CA TRP A 38 2.933 1.671 -6.019 1.00 0.00 C ATOM 594 C TRP A 38 1.599 1.065 -6.460 1.00 0.00 C ATOM 595 O TRP A 38 0.536 1.589 -6.122 1.00 0.00 O ATOM 596 CB TRP A 38 3.382 2.811 -6.936 1.00 0.00 C ATOM 597 CG TRP A 38 4.784 3.282 -6.693 1.00 0.00 C ATOM 598 CD1 TRP A 38 5.882 2.734 -7.252 1.00 0.00 C ATOM 599 CD2 TRP A 38 5.276 4.320 -5.795 1.00 0.00 C ATOM 600 NE1 TRP A 38 7.011 3.388 -6.801 1.00 0.00 N ATOM 601 CE2 TRP A 38 6.697 4.379 -5.894 1.00 0.00 C ATOM 602 CE3 TRP A 38 4.666 5.211 -4.892 1.00 0.00 C ATOM 603 CZ2 TRP A 38 7.464 5.294 -5.153 1.00 0.00 C ATOM 604 CZ3 TRP A 38 5.430 6.101 -4.115 1.00 0.00 C ATOM 605 CH2 TRP A 38 6.827 6.155 -4.241 1.00 0.00 C ATOM 0 H TRP A 38 4.286 0.367 -6.906 1.00 0.00 H new ATOM 0 HA TRP A 38 2.784 2.087 -5.023 1.00 0.00 H new ATOM 0 HB2 TRP A 38 3.296 2.484 -7.972 1.00 0.00 H new ATOM 0 HB3 TRP A 38 2.701 3.653 -6.810 1.00 0.00 H new ATOM 0 HD1 TRP A 38 5.879 1.908 -7.948 1.00 0.00 H new ATOM 0 HE1 TRP A 38 7.960 3.166 -7.101 1.00 0.00 H new ATOM 0 HE3 TRP A 38 3.590 5.211 -4.794 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 8.535 5.336 -5.283 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 4.934 6.753 -3.411 1.00 0.00 H new ATOM 0 HH2 TRP A 38 7.404 6.847 -3.646 1.00 0.00 H new ATOM 616 N GLU A 39 1.646 -0.001 -7.259 1.00 0.00 N ATOM 617 CA GLU A 39 0.480 -0.730 -7.746 1.00 0.00 C ATOM 618 C GLU A 39 0.023 -1.688 -6.641 1.00 0.00 C ATOM 619 O GLU A 39 0.847 -2.111 -5.824 1.00 0.00 O ATOM 620 CB GLU A 39 0.850 -1.497 -9.022 1.00 0.00 C ATOM 621 CG GLU A 39 1.996 -2.503 -8.833 1.00 0.00 C ATOM 622 CD GLU A 39 2.385 -3.172 -10.146 1.00 0.00 C ATOM 623 OE1 GLU A 39 2.736 -2.466 -11.118 1.00 0.00 O ATOM 624 OE2 GLU A 39 2.382 -4.420 -10.197 1.00 0.00 O ATOM 0 H GLU A 39 2.526 -0.392 -7.595 1.00 0.00 H new ATOM 0 HA GLU A 39 -0.332 -0.045 -7.990 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.031 -2.028 -9.383 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.131 -0.782 -9.795 1.00 0.00 H new ATOM 0 HG2 GLU A 39 2.863 -1.992 -8.415 1.00 0.00 H new ATOM 0 HG3 GLU A 39 1.696 -3.264 -8.112 1.00 0.00 H new ATOM 631 N ARG A 40 -1.263 -2.049 -6.591 1.00 0.00 N ATOM 632 CA ARG A 40 -1.752 -2.963 -5.563 1.00 0.00 C ATOM 633 C ARG A 40 -1.133 -4.344 -5.797 1.00 0.00 C ATOM 634 O ARG A 40 -1.250 -4.855 -6.911 1.00 0.00 O ATOM 635 CB ARG A 40 -3.275 -3.087 -5.569 1.00 0.00 C ATOM 636 CG ARG A 40 -3.982 -1.827 -5.057 1.00 0.00 C ATOM 637 CD ARG A 40 -5.396 -1.717 -5.650 1.00 0.00 C ATOM 638 NE ARG A 40 -6.257 -2.802 -5.145 1.00 0.00 N ATOM 639 CZ ARG A 40 -7.482 -3.157 -5.545 1.00 0.00 C ATOM 640 NH1 ARG A 40 -8.090 -2.516 -6.531 1.00 0.00 N ATOM 641 NH2 ARG A 40 -8.093 -4.169 -4.941 1.00 0.00 N ATOM 0 H ARG A 40 -1.975 -1.724 -7.245 1.00 0.00 H new ATOM 0 HA ARG A 40 -1.462 -2.561 -4.592 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -3.612 -3.299 -6.584 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -3.567 -3.937 -4.952 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -4.040 -1.854 -3.969 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -3.401 -0.944 -5.324 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -5.830 -0.751 -5.392 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -5.344 -1.763 -6.738 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.864 -3.358 -4.386 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -7.623 -1.738 -6.998 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -9.025 -2.800 -6.824 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.628 -4.666 -4.181 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -9.028 -4.450 -5.237 1.00 0.00 H new ATOM 655 N PRO A 41 -0.493 -4.940 -4.788 1.00 0.00 N ATOM 656 CA PRO A 41 0.133 -6.252 -4.871 1.00 0.00 C ATOM 657 C PRO A 41 -0.894 -7.385 -4.791 1.00 0.00 C ATOM 658 O PRO A 41 -2.108 -7.161 -4.708 1.00 0.00 O ATOM 659 CB PRO A 41 1.079 -6.319 -3.671 1.00 0.00 C ATOM 660 CG PRO A 41 0.440 -5.373 -2.658 1.00 0.00 C ATOM 661 CD PRO A 41 -0.346 -4.363 -3.470 1.00 0.00 C ATOM 0 HA PRO A 41 0.647 -6.377 -5.824 1.00 0.00 H new ATOM 0 HB2 PRO A 41 1.158 -7.333 -3.279 1.00 0.00 H new ATOM 0 HB3 PRO A 41 2.087 -6.001 -3.937 1.00 0.00 H new ATOM 0 HG2 PRO A 41 -0.212 -5.916 -1.974 1.00 0.00 H new ATOM 0 HG3 PRO A 41 1.199 -4.880 -2.051 1.00 0.00 H new ATOM 0 HD2 PRO A 41 -1.319 -4.171 -3.017 1.00 0.00 H new ATOM 0 HD3 PRO A 41 0.178 -3.408 -3.518 1.00 0.00 H new ATOM 669 N SER A 42 -0.383 -8.614 -4.787 1.00 0.00 N ATOM 670 CA SER A 42 -1.110 -9.851 -4.693 1.00 0.00 C ATOM 671 C SER A 42 -0.231 -10.839 -3.929 1.00 0.00 C ATOM 672 O SER A 42 0.958 -11.015 -4.205 1.00 0.00 O ATOM 673 CB SER A 42 -1.508 -10.371 -6.081 1.00 0.00 C ATOM 674 OG SER A 42 -0.450 -10.289 -7.020 1.00 0.00 O ATOM 0 H SER A 42 0.623 -8.768 -4.855 1.00 0.00 H new ATOM 0 HA SER A 42 -2.048 -9.708 -4.157 1.00 0.00 H new ATOM 0 HB2 SER A 42 -1.834 -11.408 -5.996 1.00 0.00 H new ATOM 0 HB3 SER A 42 -2.360 -9.798 -6.448 1.00 0.00 H new ATOM 0 HG SER A 42 -0.754 -10.633 -7.886 1.00 0.00 H new