USER MOD reduce.3.24.130724 H: found=0, std=0, add=489, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 490 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 11 LYS NZ :NH3+ 160:sc= -0.0582 (180deg=-0.408) USER MOD Single : A 14 ASN : amide:sc= -0.019 X(o=-0.019,f=0) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 8:sc= 0.724 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 161:sc= 0.315 (180deg=0.202) USER MOD Single : A 50 MET CE :methyl 175:sc= -0.826 (180deg=-0.856) USER MOD Single : A 53 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 159:sc= -1.51 USER MOD Single : A 70 ASN : amide:sc= -0.274 K(o=-0.27,f=-1.6) USER MOD ----------------------------------------------------------------- ATOM 94 N LYS A 10 0.152 12.653 8.958 1.00 0.00 N ATOM 95 CA LYS A 10 0.718 12.631 7.614 1.00 0.00 C ATOM 96 C LYS A 10 1.707 11.480 7.460 1.00 0.00 C ATOM 97 O LYS A 10 1.404 10.467 6.828 1.00 0.00 O ATOM 98 CB LYS A 10 1.414 13.959 7.309 1.00 0.00 C ATOM 99 CG LYS A 10 0.501 15.167 7.437 1.00 0.00 C ATOM 100 CD LYS A 10 -0.565 15.177 6.355 1.00 0.00 C ATOM 101 CE LYS A 10 -1.807 15.933 6.803 1.00 0.00 C ATOM 102 NZ LYS A 10 -1.556 17.397 6.908 1.00 0.00 N ATOM 0 HA LYS A 10 -0.097 12.485 6.906 1.00 0.00 H new ATOM 0 HB2 LYS A 10 2.260 14.080 7.985 1.00 0.00 H new ATOM 0 HB3 LYS A 10 1.817 13.924 6.297 1.00 0.00 H new ATOM 0 HG2 LYS A 10 0.025 15.162 8.418 1.00 0.00 H new ATOM 0 HG3 LYS A 10 1.093 16.080 7.374 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -0.164 15.637 5.452 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -0.834 14.152 6.098 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -2.617 15.753 6.096 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -2.136 15.551 7.769 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -2.426 17.877 7.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -0.801 17.571 7.601 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -1.266 17.767 5.980 1.00 0.00 H new ATOM 116 N LYS A 11 2.890 11.640 8.042 1.00 0.00 N ATOM 117 CA LYS A 11 3.924 10.614 7.971 1.00 0.00 C ATOM 118 C LYS A 11 3.403 9.280 8.498 1.00 0.00 C ATOM 119 O LYS A 11 2.474 9.224 9.305 1.00 0.00 O ATOM 120 CB LYS A 11 5.155 11.045 8.772 1.00 0.00 C ATOM 121 CG LYS A 11 5.097 10.647 10.237 1.00 0.00 C ATOM 122 CD LYS A 11 6.171 11.352 11.048 1.00 0.00 C ATOM 123 CE LYS A 11 6.325 10.731 12.428 1.00 0.00 C ATOM 124 NZ LYS A 11 6.826 9.330 12.354 1.00 0.00 N ATOM 0 H LYS A 11 3.157 12.471 8.569 1.00 0.00 H new ATOM 0 HA LYS A 11 4.205 10.488 6.925 1.00 0.00 H new ATOM 0 HB2 LYS A 11 6.044 10.606 8.320 1.00 0.00 H new ATOM 0 HB3 LYS A 11 5.263 12.127 8.702 1.00 0.00 H new ATOM 0 HG2 LYS A 11 4.115 10.890 10.643 1.00 0.00 H new ATOM 0 HG3 LYS A 11 5.221 9.568 10.327 1.00 0.00 H new ATOM 0 HD2 LYS A 11 7.122 11.301 10.517 1.00 0.00 H new ATOM 0 HD3 LYS A 11 5.918 12.407 11.149 1.00 0.00 H new ATOM 0 HE2 LYS A 11 7.014 11.332 13.022 1.00 0.00 H new ATOM 0 HE3 LYS A 11 5.364 10.746 12.942 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 7.234 9.058 13.271 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 6.038 8.691 12.123 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 7.556 9.261 11.616 1.00 0.00 H new ATOM 138 N PRO A 12 4.014 8.180 8.034 1.00 0.00 N ATOM 139 CA PRO A 12 3.629 6.827 8.447 1.00 0.00 C ATOM 140 C PRO A 12 3.996 6.538 9.898 1.00 0.00 C ATOM 141 O PRO A 12 5.168 6.413 10.254 1.00 0.00 O ATOM 142 CB PRO A 12 4.430 5.927 7.503 1.00 0.00 C ATOM 143 CG PRO A 12 5.608 6.748 7.105 1.00 0.00 C ATOM 144 CD PRO A 12 5.127 8.173 7.071 1.00 0.00 C ATOM 0 HA PRO A 12 2.551 6.674 8.391 1.00 0.00 H new ATOM 0 HB2 PRO A 12 4.738 5.007 8.000 1.00 0.00 H new ATOM 0 HB3 PRO A 12 3.838 5.637 6.635 1.00 0.00 H new ATOM 0 HG2 PRO A 12 6.425 6.629 7.816 1.00 0.00 H new ATOM 0 HG3 PRO A 12 5.987 6.441 6.130 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.914 8.870 7.361 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.797 8.462 6.073 1.00 0.00 H new ATOM 152 N PRO A 13 2.973 6.427 10.758 1.00 0.00 N ATOM 153 CA PRO A 13 3.164 6.150 12.185 1.00 0.00 C ATOM 154 C PRO A 13 3.658 4.730 12.438 1.00 0.00 C ATOM 155 O PRO A 13 3.654 3.891 11.538 1.00 0.00 O ATOM 156 CB PRO A 13 1.764 6.342 12.773 1.00 0.00 C ATOM 157 CG PRO A 13 0.836 6.085 11.637 1.00 0.00 C ATOM 158 CD PRO A 13 1.550 6.563 10.403 1.00 0.00 C ATOM 0 HA PRO A 13 3.920 6.797 12.629 1.00 0.00 H new ATOM 0 HB2 PRO A 13 1.582 5.651 13.596 1.00 0.00 H new ATOM 0 HB3 PRO A 13 1.636 7.350 13.168 1.00 0.00 H new ATOM 0 HG2 PRO A 13 0.595 5.025 11.562 1.00 0.00 H new ATOM 0 HG3 PRO A 13 -0.105 6.617 11.774 1.00 0.00 H new ATOM 0 HD2 PRO A 13 1.294 5.960 9.532 1.00 0.00 H new ATOM 0 HD3 PRO A 13 1.292 7.595 10.164 1.00 0.00 H new ATOM 166 N ASN A 14 4.083 4.467 13.670 1.00 0.00 N ATOM 167 CA ASN A 14 4.580 3.147 14.041 1.00 0.00 C ATOM 168 C ASN A 14 3.610 2.056 13.599 1.00 0.00 C ATOM 169 O ASN A 14 2.599 1.806 14.256 1.00 0.00 O ATOM 170 CB ASN A 14 4.799 3.069 15.553 1.00 0.00 C ATOM 171 CG ASN A 14 5.992 3.887 16.008 1.00 0.00 C ATOM 172 OD1 ASN A 14 5.846 4.860 16.748 1.00 0.00 O ATOM 173 ND2 ASN A 14 7.181 3.494 15.567 1.00 0.00 N ATOM 0 H ASN A 14 4.093 5.150 14.428 1.00 0.00 H new ATOM 0 HA ASN A 14 5.532 2.989 13.534 1.00 0.00 H new ATOM 0 HB2 ASN A 14 3.904 3.421 16.066 1.00 0.00 H new ATOM 0 HB3 ASN A 14 4.944 2.028 15.843 1.00 0.00 H new ATOM 0 HD21 ASN A 14 8.021 4.005 15.840 1.00 0.00 H new ATOM 0 HD22 ASN A 14 7.255 2.681 14.955 1.00 0.00 H new ATOM 180 N ARG A 15 3.926 1.408 12.482 1.00 0.00 N ATOM 181 CA ARG A 15 3.082 0.344 11.952 1.00 0.00 C ATOM 182 C ARG A 15 3.928 -0.830 11.469 1.00 0.00 C ATOM 183 O ARG A 15 4.564 -0.778 10.415 1.00 0.00 O ATOM 184 CB ARG A 15 2.220 0.872 10.803 1.00 0.00 C ATOM 185 CG ARG A 15 0.935 1.540 11.264 1.00 0.00 C ATOM 186 CD ARG A 15 0.006 1.826 10.095 1.00 0.00 C ATOM 187 NE ARG A 15 -1.271 2.382 10.534 1.00 0.00 N ATOM 188 CZ ARG A 15 -2.220 1.665 11.126 1.00 0.00 C ATOM 189 NH1 ARG A 15 -2.036 0.371 11.349 1.00 0.00 N ATOM 190 NH2 ARG A 15 -3.355 2.243 11.496 1.00 0.00 N ATOM 0 H ARG A 15 4.760 1.601 11.927 1.00 0.00 H new ATOM 0 HA ARG A 15 2.432 -0.004 12.755 1.00 0.00 H new ATOM 0 HB2 ARG A 15 2.803 1.586 10.221 1.00 0.00 H new ATOM 0 HB3 ARG A 15 1.971 0.046 10.137 1.00 0.00 H new ATOM 0 HG2 ARG A 15 0.428 0.898 11.984 1.00 0.00 H new ATOM 0 HG3 ARG A 15 1.172 2.471 11.778 1.00 0.00 H new ATOM 0 HD2 ARG A 15 0.489 2.523 9.411 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -0.171 0.905 9.539 1.00 0.00 H new ATOM 0 HE ARG A 15 -1.444 3.375 10.378 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -1.164 -0.076 11.066 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -2.766 -0.177 11.804 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -3.500 3.238 11.326 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -4.083 1.692 11.950 1.00 0.00 H new ATOM 204 N PRO A 16 3.938 -1.916 12.256 1.00 0.00 N ATOM 205 CA PRO A 16 4.702 -3.124 11.929 1.00 0.00 C ATOM 206 C PRO A 16 4.119 -3.874 10.736 1.00 0.00 C ATOM 207 O PRO A 16 3.409 -4.865 10.900 1.00 0.00 O ATOM 208 CB PRO A 16 4.589 -3.970 13.200 1.00 0.00 C ATOM 209 CG PRO A 16 3.328 -3.512 13.848 1.00 0.00 C ATOM 210 CD PRO A 16 3.204 -2.049 13.525 1.00 0.00 C ATOM 0 HA PRO A 16 5.728 -2.892 11.644 1.00 0.00 H new ATOM 0 HB2 PRO A 16 4.550 -5.034 12.966 1.00 0.00 H new ATOM 0 HB3 PRO A 16 5.448 -3.819 13.854 1.00 0.00 H new ATOM 0 HG2 PRO A 16 2.471 -4.069 13.470 1.00 0.00 H new ATOM 0 HG3 PRO A 16 3.363 -3.672 14.926 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.162 -1.748 13.420 1.00 0.00 H new ATOM 0 HD3 PRO A 16 3.638 -1.427 14.307 1.00 0.00 H new ATOM 218 N GLY A 17 4.424 -3.393 9.534 1.00 0.00 N ATOM 219 CA GLY A 17 3.921 -4.031 8.331 1.00 0.00 C ATOM 220 C GLY A 17 3.801 -3.065 7.170 1.00 0.00 C ATOM 221 O GLY A 17 4.590 -3.118 6.225 1.00 0.00 O ATOM 0 H GLY A 17 5.010 -2.574 9.372 1.00 0.00 H new ATOM 0 HA2 GLY A 17 4.586 -4.849 8.052 1.00 0.00 H new ATOM 0 HA3 GLY A 17 2.945 -4.470 8.537 1.00 0.00 H new ATOM 225 N ILE A 18 2.812 -2.180 7.238 1.00 0.00 N ATOM 226 CA ILE A 18 2.592 -1.198 6.183 1.00 0.00 C ATOM 227 C ILE A 18 3.587 -0.048 6.287 1.00 0.00 C ATOM 228 O ILE A 18 3.923 0.402 7.383 1.00 0.00 O ATOM 229 CB ILE A 18 1.161 -0.631 6.232 1.00 0.00 C ATOM 230 CG1 ILE A 18 0.149 -1.759 6.438 1.00 0.00 C ATOM 231 CG2 ILE A 18 0.853 0.138 4.956 1.00 0.00 C ATOM 232 CD1 ILE A 18 -1.276 -1.273 6.588 1.00 0.00 C ATOM 0 H ILE A 18 2.151 -2.123 8.012 1.00 0.00 H new ATOM 0 HA ILE A 18 2.737 -1.715 5.234 1.00 0.00 H new ATOM 0 HB ILE A 18 1.087 0.056 7.075 1.00 0.00 H new ATOM 0 HG12 ILE A 18 0.203 -2.444 5.592 1.00 0.00 H new ATOM 0 HG13 ILE A 18 0.426 -2.327 7.326 1.00 0.00 H new ATOM 0 HG21 ILE A 18 -0.162 0.533 5.005 1.00 0.00 H new ATOM 0 HG22 ILE A 18 1.558 0.962 4.849 1.00 0.00 H new ATOM 0 HG23 ILE A 18 0.942 -0.529 4.099 1.00 0.00 H new ATOM 0 HD11 ILE A 18 -1.938 -2.127 6.731 1.00 0.00 H new ATOM 0 HD12 ILE A 18 -1.346 -0.611 7.451 1.00 0.00 H new ATOM 0 HD13 ILE A 18 -1.572 -0.730 5.690 1.00 0.00 H new ATOM 244 N THR A 19 4.056 0.428 5.137 1.00 0.00 N ATOM 245 CA THR A 19 5.012 1.527 5.098 1.00 0.00 C ATOM 246 C THR A 19 4.780 2.414 3.880 1.00 0.00 C ATOM 247 O THR A 19 5.106 2.038 2.754 1.00 0.00 O ATOM 248 CB THR A 19 6.462 1.010 5.073 1.00 0.00 C ATOM 249 OG1 THR A 19 6.771 0.359 6.311 1.00 0.00 O ATOM 250 CG2 THR A 19 7.440 2.151 4.837 1.00 0.00 C ATOM 0 H THR A 19 3.789 0.069 4.220 1.00 0.00 H new ATOM 0 HA THR A 19 4.858 2.112 6.005 1.00 0.00 H new ATOM 0 HB THR A 19 6.556 0.297 4.254 1.00 0.00 H new ATOM 0 HG1 THR A 19 7.694 0.031 6.287 1.00 0.00 H new ATOM 0 HG21 THR A 19 8.458 1.761 4.823 1.00 0.00 H new ATOM 0 HG22 THR A 19 7.221 2.626 3.881 1.00 0.00 H new ATOM 0 HG23 THR A 19 7.343 2.885 5.637 1.00 0.00 H new ATOM 258 N PHE A 20 4.216 3.595 4.112 1.00 0.00 N ATOM 259 CA PHE A 20 3.940 4.536 3.033 1.00 0.00 C ATOM 260 C PHE A 20 5.233 4.985 2.359 1.00 0.00 C ATOM 261 O PHE A 20 5.973 5.806 2.900 1.00 0.00 O ATOM 262 CB PHE A 20 3.182 5.752 3.569 1.00 0.00 C ATOM 263 CG PHE A 20 2.068 5.396 4.511 1.00 0.00 C ATOM 264 CD1 PHE A 20 1.301 4.261 4.301 1.00 0.00 C ATOM 265 CD2 PHE A 20 1.787 6.196 5.607 1.00 0.00 C ATOM 266 CE1 PHE A 20 0.275 3.931 5.166 1.00 0.00 C ATOM 267 CE2 PHE A 20 0.762 5.872 6.476 1.00 0.00 C ATOM 268 CZ PHE A 20 0.005 4.737 6.255 1.00 0.00 C ATOM 0 H PHE A 20 3.941 3.923 5.038 1.00 0.00 H new ATOM 0 HA PHE A 20 3.322 4.029 2.292 1.00 0.00 H new ATOM 0 HB2 PHE A 20 3.883 6.411 4.081 1.00 0.00 H new ATOM 0 HB3 PHE A 20 2.772 6.314 2.730 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.508 3.627 3.451 1.00 0.00 H new ATOM 0 HD2 PHE A 20 2.376 7.084 5.784 1.00 0.00 H new ATOM 0 HE1 PHE A 20 -0.315 3.044 4.991 1.00 0.00 H new ATOM 0 HE2 PHE A 20 0.553 6.505 7.326 1.00 0.00 H new ATOM 0 HZ PHE A 20 -0.796 4.481 6.932 1.00 0.00 H new ATOM 278 N GLU A 21 5.498 4.439 1.177 1.00 0.00 N ATOM 279 CA GLU A 21 6.703 4.783 0.430 1.00 0.00 C ATOM 280 C GLU A 21 6.441 4.746 -1.073 1.00 0.00 C ATOM 281 O GLU A 21 5.345 4.399 -1.514 1.00 0.00 O ATOM 282 CB GLU A 21 7.840 3.822 0.784 1.00 0.00 C ATOM 283 CG GLU A 21 8.656 4.262 1.988 1.00 0.00 C ATOM 284 CD GLU A 21 9.948 3.482 2.134 1.00 0.00 C ATOM 285 OE1 GLU A 21 10.830 3.627 1.261 1.00 0.00 O ATOM 286 OE2 GLU A 21 10.077 2.728 3.121 1.00 0.00 O ATOM 0 H GLU A 21 4.896 3.757 0.716 1.00 0.00 H new ATOM 0 HA GLU A 21 6.994 5.797 0.706 1.00 0.00 H new ATOM 0 HB2 GLU A 21 7.422 2.835 0.980 1.00 0.00 H new ATOM 0 HB3 GLU A 21 8.502 3.723 -0.076 1.00 0.00 H new ATOM 0 HG2 GLU A 21 8.885 5.324 1.898 1.00 0.00 H new ATOM 0 HG3 GLU A 21 8.058 4.140 2.891 1.00 0.00 H new ATOM 293 N ILE A 22 7.453 5.109 -1.853 1.00 0.00 N ATOM 294 CA ILE A 22 7.333 5.117 -3.306 1.00 0.00 C ATOM 295 C ILE A 22 7.711 3.763 -3.896 1.00 0.00 C ATOM 296 O ILE A 22 8.876 3.368 -3.875 1.00 0.00 O ATOM 297 CB ILE A 22 8.219 6.206 -3.938 1.00 0.00 C ATOM 298 CG1 ILE A 22 7.760 7.594 -3.485 1.00 0.00 C ATOM 299 CG2 ILE A 22 8.187 6.101 -5.455 1.00 0.00 C ATOM 300 CD1 ILE A 22 6.271 7.816 -3.631 1.00 0.00 C ATOM 0 H ILE A 22 8.365 5.402 -1.503 1.00 0.00 H new ATOM 0 HA ILE A 22 6.289 5.332 -3.535 1.00 0.00 H new ATOM 0 HB ILE A 22 9.246 6.056 -3.605 1.00 0.00 H new ATOM 0 HG12 ILE A 22 8.040 7.738 -2.441 1.00 0.00 H new ATOM 0 HG13 ILE A 22 8.290 8.350 -4.064 1.00 0.00 H new ATOM 0 HG21 ILE A 22 8.818 6.878 -5.887 1.00 0.00 H new ATOM 0 HG22 ILE A 22 8.557 5.122 -5.760 1.00 0.00 H new ATOM 0 HG23 ILE A 22 7.163 6.228 -5.807 1.00 0.00 H new ATOM 0 HD11 ILE A 22 6.018 8.820 -3.291 1.00 0.00 H new ATOM 0 HD12 ILE A 22 5.987 7.705 -4.678 1.00 0.00 H new ATOM 0 HD13 ILE A 22 5.733 7.083 -3.030 1.00 0.00 H new ATOM 312 N GLY A 23 6.718 3.056 -4.426 1.00 0.00 N ATOM 313 CA GLY A 23 6.967 1.754 -5.018 1.00 0.00 C ATOM 314 C GLY A 23 6.675 0.617 -4.059 1.00 0.00 C ATOM 315 O GLY A 23 6.712 -0.552 -4.443 1.00 0.00 O ATOM 0 H GLY A 23 5.745 3.361 -4.456 1.00 0.00 H new ATOM 0 HA2 GLY A 23 6.351 1.640 -5.910 1.00 0.00 H new ATOM 0 HA3 GLY A 23 8.007 1.697 -5.339 1.00 0.00 H new ATOM 319 N ALA A 24 6.386 0.958 -2.808 1.00 0.00 N ATOM 320 CA ALA A 24 6.086 -0.043 -1.793 1.00 0.00 C ATOM 321 C ALA A 24 4.859 -0.863 -2.175 1.00 0.00 C ATOM 322 O ALA A 24 3.877 -0.325 -2.688 1.00 0.00 O ATOM 323 CB ALA A 24 5.879 0.622 -0.440 1.00 0.00 C ATOM 0 H ALA A 24 6.353 1.921 -2.473 1.00 0.00 H new ATOM 0 HA ALA A 24 6.937 -0.721 -1.726 1.00 0.00 H new ATOM 0 HB1 ALA A 24 5.656 -0.138 0.309 1.00 0.00 H new ATOM 0 HB2 ALA A 24 6.785 1.157 -0.155 1.00 0.00 H new ATOM 0 HB3 ALA A 24 5.048 1.324 -0.503 1.00 0.00 H new ATOM 329 N ARG A 25 4.921 -2.166 -1.922 1.00 0.00 N ATOM 330 CA ARG A 25 3.814 -3.060 -2.242 1.00 0.00 C ATOM 331 C ARG A 25 2.960 -3.331 -1.007 1.00 0.00 C ATOM 332 O ARG A 25 3.456 -3.815 0.011 1.00 0.00 O ATOM 333 CB ARG A 25 4.343 -4.379 -2.808 1.00 0.00 C ATOM 334 CG ARG A 25 5.194 -4.208 -4.056 1.00 0.00 C ATOM 335 CD ARG A 25 6.246 -5.300 -4.166 1.00 0.00 C ATOM 336 NE ARG A 25 7.116 -5.107 -5.323 1.00 0.00 N ATOM 337 CZ ARG A 25 8.348 -5.597 -5.406 1.00 0.00 C ATOM 338 NH1 ARG A 25 8.852 -6.307 -4.406 1.00 0.00 N ATOM 339 NH2 ARG A 25 9.079 -5.378 -6.492 1.00 0.00 N ATOM 0 H ARG A 25 5.726 -2.626 -1.497 1.00 0.00 H new ATOM 0 HA ARG A 25 3.192 -2.573 -2.993 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.933 -4.883 -2.042 1.00 0.00 H new ATOM 0 HB3 ARG A 25 3.500 -5.029 -3.040 1.00 0.00 H new ATOM 0 HG2 ARG A 25 4.555 -4.226 -4.939 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.681 -3.233 -4.035 1.00 0.00 H new ATOM 0 HD2 ARG A 25 6.849 -5.316 -3.258 1.00 0.00 H new ATOM 0 HD3 ARG A 25 5.755 -6.270 -4.239 1.00 0.00 H new ATOM 0 HE ARG A 25 6.758 -4.566 -6.110 1.00 0.00 H new ATOM 0 HH11 ARG A 25 8.293 -6.478 -3.570 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.798 -6.682 -4.473 1.00 0.00 H new ATOM 0 HH21 ARG A 25 8.695 -4.833 -7.264 1.00 0.00 H new ATOM 0 HH22 ARG A 25 10.025 -5.755 -6.555 1.00 0.00 H new ATOM 353 N LEU A 26 1.673 -3.014 -1.103 1.00 0.00 N ATOM 354 CA LEU A 26 0.749 -3.223 0.006 1.00 0.00 C ATOM 355 C LEU A 26 -0.642 -3.585 -0.505 1.00 0.00 C ATOM 356 O LEU A 26 -0.887 -3.597 -1.711 1.00 0.00 O ATOM 357 CB LEU A 26 0.674 -1.967 0.876 1.00 0.00 C ATOM 358 CG LEU A 26 0.331 -0.666 0.149 1.00 0.00 C ATOM 359 CD1 LEU A 26 1.512 -0.192 -0.683 1.00 0.00 C ATOM 360 CD2 LEU A 26 -0.900 -0.853 -0.727 1.00 0.00 C ATOM 0 H LEU A 26 1.246 -2.611 -1.937 1.00 0.00 H new ATOM 0 HA LEU A 26 1.122 -4.052 0.607 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -0.071 -2.132 1.654 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.634 -1.838 1.376 1.00 0.00 H new ATOM 0 HG LEU A 26 0.109 0.097 0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 26 1.249 0.735 -1.193 1.00 0.00 H new ATOM 0 HD12 LEU A 26 2.369 -0.018 -0.032 1.00 0.00 H new ATOM 0 HD13 LEU A 26 1.766 -0.953 -1.421 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.129 0.083 -1.237 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -0.706 -1.631 -1.466 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -1.747 -1.145 -0.106 1.00 0.00 H new ATOM 372 N GLU A 27 -1.550 -3.878 0.421 1.00 0.00 N ATOM 373 CA GLU A 27 -2.916 -4.239 0.064 1.00 0.00 C ATOM 374 C GLU A 27 -3.861 -3.058 0.263 1.00 0.00 C ATOM 375 O GLU A 27 -3.665 -2.237 1.159 1.00 0.00 O ATOM 376 CB GLU A 27 -3.388 -5.431 0.900 1.00 0.00 C ATOM 377 CG GLU A 27 -2.662 -6.726 0.578 1.00 0.00 C ATOM 378 CD GLU A 27 -3.312 -7.935 1.222 1.00 0.00 C ATOM 379 OE1 GLU A 27 -3.029 -8.198 2.409 1.00 0.00 O ATOM 380 OE2 GLU A 27 -4.103 -8.618 0.538 1.00 0.00 O ATOM 0 H GLU A 27 -1.364 -3.872 1.424 1.00 0.00 H new ATOM 0 HA GLU A 27 -2.927 -4.517 -0.990 1.00 0.00 H new ATOM 0 HB2 GLU A 27 -3.250 -5.200 1.956 1.00 0.00 H new ATOM 0 HB3 GLU A 27 -4.457 -5.575 0.742 1.00 0.00 H new ATOM 0 HG2 GLU A 27 -2.636 -6.865 -0.503 1.00 0.00 H new ATOM 0 HG3 GLU A 27 -1.628 -6.652 0.915 1.00 0.00 H new ATOM 387 N ALA A 28 -4.887 -2.979 -0.578 1.00 0.00 N ATOM 388 CA ALA A 28 -5.863 -1.900 -0.494 1.00 0.00 C ATOM 389 C ALA A 28 -7.286 -2.448 -0.466 1.00 0.00 C ATOM 390 O ALA A 28 -7.603 -3.416 -1.158 1.00 0.00 O ATOM 391 CB ALA A 28 -5.688 -0.938 -1.660 1.00 0.00 C ATOM 0 H ALA A 28 -5.064 -3.650 -1.326 1.00 0.00 H new ATOM 0 HA ALA A 28 -5.692 -1.360 0.437 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -6.424 -0.137 -1.584 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -4.685 -0.513 -1.634 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -5.830 -1.474 -2.598 1.00 0.00 H new ATOM 397 N LEU A 29 -8.139 -1.824 0.338 1.00 0.00 N ATOM 398 CA LEU A 29 -9.530 -2.249 0.456 1.00 0.00 C ATOM 399 C LEU A 29 -10.415 -1.498 -0.533 1.00 0.00 C ATOM 400 O LEU A 29 -10.759 -0.336 -0.315 1.00 0.00 O ATOM 401 CB LEU A 29 -10.033 -2.023 1.883 1.00 0.00 C ATOM 402 CG LEU A 29 -11.368 -2.679 2.236 1.00 0.00 C ATOM 403 CD1 LEU A 29 -11.165 -4.142 2.599 1.00 0.00 C ATOM 404 CD2 LEU A 29 -12.044 -1.934 3.377 1.00 0.00 C ATOM 0 H LEU A 29 -7.892 -1.022 0.918 1.00 0.00 H new ATOM 0 HA LEU A 29 -9.580 -3.313 0.224 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -9.276 -2.390 2.576 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -10.123 -0.950 2.049 1.00 0.00 H new ATOM 0 HG LEU A 29 -12.017 -2.629 1.362 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -12.126 -4.592 2.847 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -10.725 -4.669 1.752 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -10.498 -4.215 3.458 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -12.993 -2.415 3.614 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -11.399 -1.951 4.255 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -12.226 -0.901 3.080 1.00 0.00 H new ATOM 416 N ASP A 30 -10.783 -2.170 -1.618 1.00 0.00 N ATOM 417 CA ASP A 30 -11.632 -1.567 -2.639 1.00 0.00 C ATOM 418 C ASP A 30 -13.035 -1.311 -2.097 1.00 0.00 C ATOM 419 O ASP A 30 -13.432 -1.878 -1.079 1.00 0.00 O ATOM 420 CB ASP A 30 -11.705 -2.471 -3.870 1.00 0.00 C ATOM 421 CG ASP A 30 -10.621 -2.159 -4.883 1.00 0.00 C ATOM 422 OD1 ASP A 30 -10.585 -1.013 -5.378 1.00 0.00 O ATOM 423 OD2 ASP A 30 -9.809 -3.060 -5.180 1.00 0.00 O ATOM 0 H ASP A 30 -10.507 -3.132 -1.813 1.00 0.00 H new ATOM 0 HA ASP A 30 -11.192 -0.611 -2.925 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -11.618 -3.512 -3.558 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -12.682 -2.360 -4.341 1.00 0.00 H new ATOM 428 N TYR A 31 -13.781 -0.452 -2.784 1.00 0.00 N ATOM 429 CA TYR A 31 -15.138 -0.118 -2.370 1.00 0.00 C ATOM 430 C TYR A 31 -15.946 -1.379 -2.081 1.00 0.00 C ATOM 431 O TYR A 31 -16.883 -1.362 -1.281 1.00 0.00 O ATOM 432 CB TYR A 31 -15.834 0.711 -3.451 1.00 0.00 C ATOM 433 CG TYR A 31 -17.320 0.451 -3.550 1.00 0.00 C ATOM 434 CD1 TYR A 31 -17.804 -0.791 -3.944 1.00 0.00 C ATOM 435 CD2 TYR A 31 -18.241 1.447 -3.251 1.00 0.00 C ATOM 436 CE1 TYR A 31 -19.161 -1.033 -4.037 1.00 0.00 C ATOM 437 CE2 TYR A 31 -19.600 1.214 -3.339 1.00 0.00 C ATOM 438 CZ TYR A 31 -20.055 -0.027 -3.733 1.00 0.00 C ATOM 439 OH TYR A 31 -21.407 -0.263 -3.824 1.00 0.00 O ATOM 0 H TYR A 31 -13.468 0.025 -3.630 1.00 0.00 H new ATOM 0 HA TYR A 31 -15.077 0.470 -1.454 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -15.672 1.769 -3.246 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -15.371 0.498 -4.415 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -17.107 -1.581 -4.182 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -17.889 2.421 -2.944 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -19.520 -2.004 -4.346 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -20.302 1.999 -3.101 1.00 0.00 H new ATOM 0 HH TYR A 31 -21.898 0.548 -3.575 1.00 0.00 H new ATOM 449 N LEU A 32 -15.577 -2.473 -2.738 1.00 0.00 N ATOM 450 CA LEU A 32 -16.266 -3.746 -2.552 1.00 0.00 C ATOM 451 C LEU A 32 -15.770 -4.456 -1.297 1.00 0.00 C ATOM 452 O LEU A 32 -16.008 -5.649 -1.113 1.00 0.00 O ATOM 453 CB LEU A 32 -16.059 -4.643 -3.774 1.00 0.00 C ATOM 454 CG LEU A 32 -16.963 -4.360 -4.975 1.00 0.00 C ATOM 455 CD1 LEU A 32 -16.449 -5.080 -6.212 1.00 0.00 C ATOM 456 CD2 LEU A 32 -18.396 -4.773 -4.673 1.00 0.00 C ATOM 0 H LEU A 32 -14.805 -2.505 -3.404 1.00 0.00 H new ATOM 0 HA LEU A 32 -17.330 -3.541 -2.434 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -15.022 -4.551 -4.096 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -16.208 -5.679 -3.469 1.00 0.00 H new ATOM 0 HG LEU A 32 -16.948 -3.288 -5.171 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -17.105 -4.867 -7.056 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.440 -4.736 -6.440 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -16.433 -6.154 -6.027 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -19.025 -4.564 -5.539 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -18.428 -5.839 -4.450 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -18.763 -4.211 -3.814 1.00 0.00 H new ATOM 468 N GLN A 33 -15.082 -3.713 -0.436 1.00 0.00 N ATOM 469 CA GLN A 33 -14.555 -4.272 0.803 1.00 0.00 C ATOM 470 C GLN A 33 -13.739 -5.531 0.529 1.00 0.00 C ATOM 471 O GLN A 33 -13.804 -6.502 1.283 1.00 0.00 O ATOM 472 CB GLN A 33 -15.696 -4.590 1.771 1.00 0.00 C ATOM 473 CG GLN A 33 -16.588 -3.397 2.073 1.00 0.00 C ATOM 474 CD GLN A 33 -17.286 -3.514 3.413 1.00 0.00 C ATOM 475 OE1 GLN A 33 -16.808 -2.995 4.423 1.00 0.00 O ATOM 476 NE2 GLN A 33 -18.424 -4.198 3.431 1.00 0.00 N ATOM 0 H GLN A 33 -14.877 -2.723 -0.574 1.00 0.00 H new ATOM 0 HA GLN A 33 -13.900 -3.528 1.257 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -16.305 -5.391 1.351 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -15.276 -4.964 2.704 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -15.988 -2.487 2.058 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -17.335 -3.299 1.286 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -18.784 -4.612 2.571 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -18.938 -4.310 4.305 1.00 0.00 H new ATOM 485 N LYS A 34 -12.972 -5.508 -0.556 1.00 0.00 N ATOM 486 CA LYS A 34 -12.142 -6.647 -0.931 1.00 0.00 C ATOM 487 C LYS A 34 -10.663 -6.330 -0.736 1.00 0.00 C ATOM 488 O LYS A 34 -10.245 -5.177 -0.851 1.00 0.00 O ATOM 489 CB LYS A 34 -12.404 -7.037 -2.387 1.00 0.00 C ATOM 490 CG LYS A 34 -13.868 -7.298 -2.693 1.00 0.00 C ATOM 491 CD LYS A 34 -14.406 -8.470 -1.890 1.00 0.00 C ATOM 492 CE LYS A 34 -15.721 -8.980 -2.460 1.00 0.00 C ATOM 493 NZ LYS A 34 -15.509 -9.873 -3.632 1.00 0.00 N ATOM 0 H LYS A 34 -12.908 -4.713 -1.191 1.00 0.00 H new ATOM 0 HA LYS A 34 -12.404 -7.485 -0.284 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -12.042 -6.241 -3.038 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -11.827 -7.931 -2.624 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -14.452 -6.405 -2.470 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -13.988 -7.500 -3.757 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -13.673 -9.277 -1.886 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -14.551 -8.166 -0.853 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.267 -9.520 -1.686 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -16.341 -8.134 -2.756 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -16.429 -10.199 -3.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -15.011 -9.351 -4.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -14.939 -10.694 -3.344 1.00 0.00 H new ATOM 507 N TRP A 35 -9.876 -7.358 -0.443 1.00 0.00 N ATOM 508 CA TRP A 35 -8.442 -7.188 -0.234 1.00 0.00 C ATOM 509 C TRP A 35 -7.657 -7.635 -1.462 1.00 0.00 C ATOM 510 O TRP A 35 -7.904 -8.708 -2.012 1.00 0.00 O ATOM 511 CB TRP A 35 -7.987 -7.980 0.993 1.00 0.00 C ATOM 512 CG TRP A 35 -8.617 -7.510 2.270 1.00 0.00 C ATOM 513 CD1 TRP A 35 -9.471 -8.214 3.070 1.00 0.00 C ATOM 514 CD2 TRP A 35 -8.444 -6.232 2.891 1.00 0.00 C ATOM 515 NE1 TRP A 35 -9.838 -7.451 4.152 1.00 0.00 N ATOM 516 CE2 TRP A 35 -9.221 -6.231 4.066 1.00 0.00 C ATOM 517 CE3 TRP A 35 -7.706 -5.089 2.571 1.00 0.00 C ATOM 518 CZ2 TRP A 35 -9.281 -5.131 4.918 1.00 0.00 C ATOM 519 CZ3 TRP A 35 -7.766 -3.999 3.417 1.00 0.00 C ATOM 520 CH2 TRP A 35 -8.549 -4.026 4.580 1.00 0.00 C ATOM 0 H TRP A 35 -10.206 -8.318 -0.345 1.00 0.00 H new ATOM 0 HA TRP A 35 -8.247 -6.129 -0.067 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.224 -9.034 0.845 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -6.903 -7.907 1.082 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -9.808 -9.222 2.880 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -10.468 -7.745 4.898 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -7.099 -5.059 1.678 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -9.884 -5.150 5.814 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -7.200 -3.111 3.179 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -8.575 -3.157 5.221 1.00 0.00 H new ATOM 531 N TYR A 36 -6.710 -6.805 -1.887 1.00 0.00 N ATOM 532 CA TYR A 36 -5.890 -7.115 -3.052 1.00 0.00 C ATOM 533 C TYR A 36 -4.558 -6.373 -2.993 1.00 0.00 C ATOM 534 O TYR A 36 -4.431 -5.321 -2.365 1.00 0.00 O ATOM 535 CB TYR A 36 -6.634 -6.748 -4.337 1.00 0.00 C ATOM 536 CG TYR A 36 -7.852 -7.605 -4.597 1.00 0.00 C ATOM 537 CD1 TYR A 36 -7.728 -8.964 -4.859 1.00 0.00 C ATOM 538 CD2 TYR A 36 -9.128 -7.055 -4.579 1.00 0.00 C ATOM 539 CE1 TYR A 36 -8.838 -9.750 -5.097 1.00 0.00 C ATOM 540 CE2 TYR A 36 -10.245 -7.834 -4.815 1.00 0.00 C ATOM 541 CZ TYR A 36 -10.095 -9.180 -5.074 1.00 0.00 C ATOM 542 OH TYR A 36 -11.204 -9.960 -5.310 1.00 0.00 O ATOM 0 H TYR A 36 -6.492 -5.913 -1.442 1.00 0.00 H new ATOM 0 HA TYR A 36 -5.689 -8.186 -3.049 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -6.940 -5.703 -4.284 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -5.950 -6.838 -5.181 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -6.746 -9.413 -4.877 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -9.249 -6.001 -4.377 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -8.723 -10.805 -5.300 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -11.230 -7.391 -4.797 1.00 0.00 H new ATOM 0 HH TYR A 36 -12.011 -9.406 -5.256 1.00 0.00 H new ATOM 552 N PRO A 37 -3.540 -6.933 -3.662 1.00 0.00 N ATOM 553 CA PRO A 37 -2.199 -6.342 -3.703 1.00 0.00 C ATOM 554 C PRO A 37 -2.157 -5.056 -4.520 1.00 0.00 C ATOM 555 O PRO A 37 -2.903 -4.898 -5.487 1.00 0.00 O ATOM 556 CB PRO A 37 -1.353 -7.428 -4.373 1.00 0.00 C ATOM 557 CG PRO A 37 -2.321 -8.213 -5.190 1.00 0.00 C ATOM 558 CD PRO A 37 -3.619 -8.186 -4.432 1.00 0.00 C ATOM 0 HA PRO A 37 -1.848 -6.060 -2.710 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -0.571 -6.993 -4.996 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -0.858 -8.057 -3.633 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -2.439 -7.776 -6.182 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -1.973 -9.236 -5.332 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -4.477 -8.191 -5.104 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -3.721 -9.053 -3.779 1.00 0.00 H new ATOM 566 N SER A 38 -1.279 -4.138 -4.127 1.00 0.00 N ATOM 567 CA SER A 38 -1.143 -2.863 -4.821 1.00 0.00 C ATOM 568 C SER A 38 0.233 -2.252 -4.569 1.00 0.00 C ATOM 569 O SER A 38 1.018 -2.770 -3.775 1.00 0.00 O ATOM 570 CB SER A 38 -2.235 -1.893 -4.369 1.00 0.00 C ATOM 571 OG SER A 38 -3.506 -2.294 -4.852 1.00 0.00 O ATOM 0 H SER A 38 -0.651 -4.254 -3.331 1.00 0.00 H new ATOM 0 HA SER A 38 -1.250 -3.046 -5.890 1.00 0.00 H new ATOM 0 HB2 SER A 38 -2.255 -1.845 -3.280 1.00 0.00 H new ATOM 0 HB3 SER A 38 -2.006 -0.890 -4.728 1.00 0.00 H new ATOM 0 HG SER A 38 -3.435 -3.180 -5.264 1.00 0.00 H new ATOM 577 N ARG A 39 0.516 -1.147 -5.252 1.00 0.00 N ATOM 578 CA ARG A 39 1.796 -0.465 -5.104 1.00 0.00 C ATOM 579 C ARG A 39 1.599 1.044 -4.998 1.00 0.00 C ATOM 580 O ARG A 39 0.532 1.565 -5.326 1.00 0.00 O ATOM 581 CB ARG A 39 2.710 -0.789 -6.287 1.00 0.00 C ATOM 582 CG ARG A 39 3.586 -2.012 -6.063 1.00 0.00 C ATOM 583 CD ARG A 39 4.786 -2.016 -6.997 1.00 0.00 C ATOM 584 NE ARG A 39 5.212 -3.371 -7.335 1.00 0.00 N ATOM 585 CZ ARG A 39 6.044 -3.653 -8.331 1.00 0.00 C ATOM 586 NH1 ARG A 39 6.537 -2.679 -9.083 1.00 0.00 N ATOM 587 NH2 ARG A 39 6.385 -4.912 -8.576 1.00 0.00 N ATOM 0 H ARG A 39 -0.124 -0.706 -5.913 1.00 0.00 H new ATOM 0 HA ARG A 39 2.263 -0.818 -4.185 1.00 0.00 H new ATOM 0 HB2 ARG A 39 2.098 -0.948 -7.175 1.00 0.00 H new ATOM 0 HB3 ARG A 39 3.347 0.072 -6.489 1.00 0.00 H new ATOM 0 HG2 ARG A 39 3.929 -2.031 -5.028 1.00 0.00 H new ATOM 0 HG3 ARG A 39 2.998 -2.916 -6.221 1.00 0.00 H new ATOM 0 HD2 ARG A 39 4.536 -1.476 -7.910 1.00 0.00 H new ATOM 0 HD3 ARG A 39 5.613 -1.483 -6.527 1.00 0.00 H new ATOM 0 HE ARG A 39 4.851 -4.143 -6.775 1.00 0.00 H new ATOM 0 HH11 ARG A 39 6.278 -1.710 -8.897 1.00 0.00 H new ATOM 0 HH12 ARG A 39 7.176 -2.898 -9.847 1.00 0.00 H new ATOM 0 HH21 ARG A 39 6.008 -5.664 -7.999 1.00 0.00 H new ATOM 0 HH22 ARG A 39 7.024 -5.128 -9.341 1.00 0.00 H new ATOM 601 N ILE A 40 2.633 1.740 -4.538 1.00 0.00 N ATOM 602 CA ILE A 40 2.573 3.188 -4.390 1.00 0.00 C ATOM 603 C ILE A 40 3.345 3.887 -5.504 1.00 0.00 C ATOM 604 O ILE A 40 4.471 3.508 -5.824 1.00 0.00 O ATOM 605 CB ILE A 40 3.138 3.639 -3.029 1.00 0.00 C ATOM 606 CG1 ILE A 40 2.219 3.179 -1.894 1.00 0.00 C ATOM 607 CG2 ILE A 40 3.308 5.150 -3.001 1.00 0.00 C ATOM 608 CD1 ILE A 40 2.840 3.316 -0.522 1.00 0.00 C ATOM 0 H ILE A 40 3.522 1.324 -4.261 1.00 0.00 H new ATOM 0 HA ILE A 40 1.521 3.468 -4.449 1.00 0.00 H new ATOM 0 HB ILE A 40 4.117 3.181 -2.888 1.00 0.00 H new ATOM 0 HG12 ILE A 40 1.297 3.759 -1.926 1.00 0.00 H new ATOM 0 HG13 ILE A 40 1.946 2.137 -2.058 1.00 0.00 H new ATOM 0 HG21 ILE A 40 3.708 5.453 -2.033 1.00 0.00 H new ATOM 0 HG22 ILE A 40 3.997 5.453 -3.789 1.00 0.00 H new ATOM 0 HG23 ILE A 40 2.341 5.628 -3.160 1.00 0.00 H new ATOM 0 HD11 ILE A 40 2.133 2.972 0.233 1.00 0.00 H new ATOM 0 HD12 ILE A 40 3.747 2.714 -0.471 1.00 0.00 H new ATOM 0 HD13 ILE A 40 3.088 4.361 -0.337 1.00 0.00 H new ATOM 620 N GLU A 41 2.731 4.911 -6.089 1.00 0.00 N ATOM 621 CA GLU A 41 3.362 5.664 -7.167 1.00 0.00 C ATOM 622 C GLU A 41 3.795 7.046 -6.685 1.00 0.00 C ATOM 623 O GLU A 41 4.901 7.500 -6.978 1.00 0.00 O ATOM 624 CB GLU A 41 2.403 5.802 -8.351 1.00 0.00 C ATOM 625 CG GLU A 41 2.397 4.594 -9.273 1.00 0.00 C ATOM 626 CD GLU A 41 3.403 4.716 -10.401 1.00 0.00 C ATOM 627 OE1 GLU A 41 3.347 5.722 -11.139 1.00 0.00 O ATOM 628 OE2 GLU A 41 4.245 3.806 -10.547 1.00 0.00 O ATOM 0 H GLU A 41 1.799 5.238 -5.835 1.00 0.00 H new ATOM 0 HA GLU A 41 4.248 5.116 -7.488 1.00 0.00 H new ATOM 0 HB2 GLU A 41 1.394 5.965 -7.973 1.00 0.00 H new ATOM 0 HB3 GLU A 41 2.675 6.687 -8.927 1.00 0.00 H new ATOM 0 HG2 GLU A 41 2.615 3.697 -8.692 1.00 0.00 H new ATOM 0 HG3 GLU A 41 1.399 4.467 -9.693 1.00 0.00 H new ATOM 635 N LYS A 42 2.914 7.710 -5.944 1.00 0.00 N ATOM 636 CA LYS A 42 3.203 9.040 -5.420 1.00 0.00 C ATOM 637 C LYS A 42 2.679 9.188 -3.995 1.00 0.00 C ATOM 638 O LYS A 42 1.717 8.525 -3.606 1.00 0.00 O ATOM 639 CB LYS A 42 2.580 10.111 -6.318 1.00 0.00 C ATOM 640 CG LYS A 42 3.500 10.583 -7.430 1.00 0.00 C ATOM 641 CD LYS A 42 2.728 11.290 -8.531 1.00 0.00 C ATOM 642 CE LYS A 42 2.316 10.324 -9.631 1.00 0.00 C ATOM 643 NZ LYS A 42 1.555 11.008 -10.713 1.00 0.00 N ATOM 0 H LYS A 42 1.994 7.349 -5.693 1.00 0.00 H new ATOM 0 HA LYS A 42 4.285 9.171 -5.406 1.00 0.00 H new ATOM 0 HB2 LYS A 42 1.664 9.716 -6.758 1.00 0.00 H new ATOM 0 HB3 LYS A 42 2.296 10.967 -5.705 1.00 0.00 H new ATOM 0 HG2 LYS A 42 4.251 11.258 -7.020 1.00 0.00 H new ATOM 0 HG3 LYS A 42 4.033 9.730 -7.849 1.00 0.00 H new ATOM 0 HD2 LYS A 42 1.841 11.763 -8.109 1.00 0.00 H new ATOM 0 HD3 LYS A 42 3.342 12.085 -8.954 1.00 0.00 H new ATOM 0 HE2 LYS A 42 3.204 9.854 -10.053 1.00 0.00 H new ATOM 0 HE3 LYS A 42 1.706 9.528 -9.205 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 1.292 10.316 -11.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 0.694 11.435 -10.315 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 2.146 11.751 -11.137 1.00 0.00 H new ATOM 657 N ILE A 43 3.316 10.062 -3.224 1.00 0.00 N ATOM 658 CA ILE A 43 2.912 10.299 -1.843 1.00 0.00 C ATOM 659 C ILE A 43 2.820 11.791 -1.545 1.00 0.00 C ATOM 660 O ILE A 43 3.820 12.433 -1.222 1.00 0.00 O ATOM 661 CB ILE A 43 3.892 9.648 -0.850 1.00 0.00 C ATOM 662 CG1 ILE A 43 3.942 8.134 -1.067 1.00 0.00 C ATOM 663 CG2 ILE A 43 3.489 9.970 0.581 1.00 0.00 C ATOM 664 CD1 ILE A 43 5.049 7.449 -0.297 1.00 0.00 C ATOM 0 H ILE A 43 4.114 10.618 -3.532 1.00 0.00 H new ATOM 0 HA ILE A 43 1.928 9.845 -1.720 1.00 0.00 H new ATOM 0 HB ILE A 43 4.888 10.055 -1.026 1.00 0.00 H new ATOM 0 HG12 ILE A 43 2.985 7.701 -0.774 1.00 0.00 H new ATOM 0 HG13 ILE A 43 4.071 7.932 -2.130 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.192 9.503 1.271 1.00 0.00 H new ATOM 0 HG22 ILE A 43 3.500 11.050 0.728 1.00 0.00 H new ATOM 0 HG23 ILE A 43 2.486 9.588 0.771 1.00 0.00 H new ATOM 0 HD11 ILE A 43 5.024 6.378 -0.499 1.00 0.00 H new ATOM 0 HD12 ILE A 43 6.012 7.854 -0.607 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.910 7.620 0.770 1.00 0.00 H new ATOM 676 N ASP A 44 1.615 12.338 -1.655 1.00 0.00 N ATOM 677 CA ASP A 44 1.391 13.755 -1.394 1.00 0.00 C ATOM 678 C ASP A 44 1.324 14.028 0.105 1.00 0.00 C ATOM 679 O ASP A 44 0.333 13.707 0.761 1.00 0.00 O ATOM 680 CB ASP A 44 0.100 14.222 -2.068 1.00 0.00 C ATOM 681 CG ASP A 44 0.333 14.730 -3.478 1.00 0.00 C ATOM 682 OD1 ASP A 44 1.226 15.584 -3.661 1.00 0.00 O ATOM 683 OD2 ASP A 44 -0.376 14.272 -4.398 1.00 0.00 O ATOM 0 H ASP A 44 0.777 11.821 -1.923 1.00 0.00 H new ATOM 0 HA ASP A 44 2.231 14.312 -1.809 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -0.611 13.396 -2.095 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -0.353 15.013 -1.470 1.00 0.00 H new ATOM 688 N TYR A 45 2.385 14.621 0.641 1.00 0.00 N ATOM 689 CA TYR A 45 2.449 14.934 2.064 1.00 0.00 C ATOM 690 C TYR A 45 1.764 16.265 2.360 1.00 0.00 C ATOM 691 O TYR A 45 1.249 16.479 3.457 1.00 0.00 O ATOM 692 CB TYR A 45 3.904 14.982 2.532 1.00 0.00 C ATOM 693 CG TYR A 45 4.660 13.695 2.290 1.00 0.00 C ATOM 694 CD1 TYR A 45 5.063 13.333 1.011 1.00 0.00 C ATOM 695 CD2 TYR A 45 4.973 12.842 3.342 1.00 0.00 C ATOM 696 CE1 TYR A 45 5.753 12.158 0.785 1.00 0.00 C ATOM 697 CE2 TYR A 45 5.665 11.666 3.126 1.00 0.00 C ATOM 698 CZ TYR A 45 6.052 11.328 1.846 1.00 0.00 C ATOM 699 OH TYR A 45 6.741 10.157 1.626 1.00 0.00 O ATOM 0 H TYR A 45 3.213 14.895 0.112 1.00 0.00 H new ATOM 0 HA TYR A 45 1.925 14.147 2.607 1.00 0.00 H new ATOM 0 HB2 TYR A 45 4.415 15.796 2.019 1.00 0.00 H new ATOM 0 HB3 TYR A 45 3.927 15.212 3.597 1.00 0.00 H new ATOM 0 HD1 TYR A 45 4.833 13.982 0.179 1.00 0.00 H new ATOM 0 HD2 TYR A 45 4.670 13.103 4.345 1.00 0.00 H new ATOM 0 HE1 TYR A 45 6.057 11.890 -0.216 1.00 0.00 H new ATOM 0 HE2 TYR A 45 5.902 11.015 3.955 1.00 0.00 H new ATOM 0 HH TYR A 45 6.871 9.689 2.477 1.00 0.00 H new ATOM 709 N GLU A 46 1.761 17.155 1.372 1.00 0.00 N ATOM 710 CA GLU A 46 1.139 18.465 1.526 1.00 0.00 C ATOM 711 C GLU A 46 -0.377 18.338 1.634 1.00 0.00 C ATOM 712 O GLU A 46 -1.034 19.155 2.278 1.00 0.00 O ATOM 713 CB GLU A 46 1.505 19.369 0.347 1.00 0.00 C ATOM 714 CG GLU A 46 2.968 19.777 0.323 1.00 0.00 C ATOM 715 CD GLU A 46 3.313 20.642 -0.873 1.00 0.00 C ATOM 716 OE1 GLU A 46 3.287 20.122 -2.008 1.00 0.00 O ATOM 717 OE2 GLU A 46 3.608 21.839 -0.675 1.00 0.00 O ATOM 0 H GLU A 46 2.182 16.993 0.457 1.00 0.00 H new ATOM 0 HA GLU A 46 1.514 18.912 2.447 1.00 0.00 H new ATOM 0 HB2 GLU A 46 1.265 18.854 -0.583 1.00 0.00 H new ATOM 0 HB3 GLU A 46 0.887 20.266 0.383 1.00 0.00 H new ATOM 0 HG2 GLU A 46 3.205 20.319 1.239 1.00 0.00 H new ATOM 0 HG3 GLU A 46 3.591 18.882 0.311 1.00 0.00 H new ATOM 724 N GLU A 47 -0.926 17.308 0.997 1.00 0.00 N ATOM 725 CA GLU A 47 -2.365 17.075 1.019 1.00 0.00 C ATOM 726 C GLU A 47 -2.721 15.963 2.001 1.00 0.00 C ATOM 727 O GLU A 47 -3.721 16.045 2.714 1.00 0.00 O ATOM 728 CB GLU A 47 -2.868 16.715 -0.380 1.00 0.00 C ATOM 729 CG GLU A 47 -3.112 17.923 -1.269 1.00 0.00 C ATOM 730 CD GLU A 47 -3.818 19.051 -0.540 1.00 0.00 C ATOM 731 OE1 GLU A 47 -4.785 18.766 0.197 1.00 0.00 O ATOM 732 OE2 GLU A 47 -3.403 20.217 -0.706 1.00 0.00 O ATOM 0 H GLU A 47 -0.396 16.622 0.460 1.00 0.00 H new ATOM 0 HA GLU A 47 -2.851 17.994 1.346 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -2.141 16.061 -0.861 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -3.795 16.148 -0.289 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -2.159 18.285 -1.654 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -3.709 17.622 -2.129 1.00 0.00 H new ATOM 739 N GLY A 48 -1.894 14.922 2.032 1.00 0.00 N ATOM 740 CA GLY A 48 -2.138 13.807 2.929 1.00 0.00 C ATOM 741 C GLY A 48 -2.689 12.593 2.208 1.00 0.00 C ATOM 742 O GLY A 48 -3.387 11.772 2.803 1.00 0.00 O ATOM 0 H GLY A 48 -1.060 14.831 1.452 1.00 0.00 H new ATOM 0 HA2 GLY A 48 -1.208 13.537 3.430 1.00 0.00 H new ATOM 0 HA3 GLY A 48 -2.840 14.115 3.704 1.00 0.00 H new ATOM 746 N LYS A 49 -2.375 12.478 0.922 1.00 0.00 N ATOM 747 CA LYS A 49 -2.843 11.355 0.118 1.00 0.00 C ATOM 748 C LYS A 49 -1.694 10.737 -0.673 1.00 0.00 C ATOM 749 O LYS A 49 -0.594 11.286 -0.720 1.00 0.00 O ATOM 750 CB LYS A 49 -3.947 11.812 -0.839 1.00 0.00 C ATOM 751 CG LYS A 49 -3.533 12.962 -1.741 1.00 0.00 C ATOM 752 CD LYS A 49 -4.397 13.031 -2.988 1.00 0.00 C ATOM 753 CE LYS A 49 -3.695 13.776 -4.113 1.00 0.00 C ATOM 754 NZ LYS A 49 -4.501 13.779 -5.365 1.00 0.00 N ATOM 0 H LYS A 49 -1.798 13.149 0.414 1.00 0.00 H new ATOM 0 HA LYS A 49 -3.245 10.599 0.793 1.00 0.00 H new ATOM 0 HB2 LYS A 49 -4.252 10.968 -1.458 1.00 0.00 H new ATOM 0 HB3 LYS A 49 -4.819 12.113 -0.258 1.00 0.00 H new ATOM 0 HG2 LYS A 49 -3.608 13.901 -1.193 1.00 0.00 H new ATOM 0 HG3 LYS A 49 -2.488 12.843 -2.027 1.00 0.00 H new ATOM 0 HD2 LYS A 49 -4.644 12.022 -3.317 1.00 0.00 H new ATOM 0 HD3 LYS A 49 -5.338 13.528 -2.753 1.00 0.00 H new ATOM 0 HE2 LYS A 49 -3.502 14.803 -3.803 1.00 0.00 H new ATOM 0 HE3 LYS A 49 -2.727 13.314 -4.306 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 -4.167 14.540 -5.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 -4.397 12.863 -5.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 -5.502 13.936 -5.133 1.00 0.00 H new ATOM 768 N MET A 50 -1.959 9.592 -1.294 1.00 0.00 N ATOM 769 CA MET A 50 -0.947 8.901 -2.085 1.00 0.00 C ATOM 770 C MET A 50 -1.573 8.233 -3.305 1.00 0.00 C ATOM 771 O MET A 50 -2.721 7.788 -3.261 1.00 0.00 O ATOM 772 CB MET A 50 -0.227 7.856 -1.231 1.00 0.00 C ATOM 773 CG MET A 50 -1.094 7.269 -0.129 1.00 0.00 C ATOM 774 SD MET A 50 -0.335 5.839 0.665 1.00 0.00 S ATOM 775 CE MET A 50 -1.624 4.612 0.456 1.00 0.00 C ATOM 0 H MET A 50 -2.865 9.124 -1.265 1.00 0.00 H new ATOM 0 HA MET A 50 -0.223 9.640 -2.429 1.00 0.00 H new ATOM 0 HB2 MET A 50 0.122 7.049 -1.876 1.00 0.00 H new ATOM 0 HB3 MET A 50 0.657 8.311 -0.783 1.00 0.00 H new ATOM 0 HG2 MET A 50 -1.289 8.035 0.621 1.00 0.00 H new ATOM 0 HG3 MET A 50 -2.058 6.979 -0.546 1.00 0.00 H new ATOM 0 HE1 MET A 50 -1.269 3.647 0.817 1.00 0.00 H new ATOM 0 HE2 MET A 50 -2.506 4.910 1.023 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.882 4.532 -0.600 1.00 0.00 H new ATOM 785 N LEU A 51 -0.814 8.167 -4.393 1.00 0.00 N ATOM 786 CA LEU A 51 -1.295 7.553 -5.626 1.00 0.00 C ATOM 787 C LEU A 51 -0.980 6.061 -5.650 1.00 0.00 C ATOM 788 O LEU A 51 0.137 5.657 -5.975 1.00 0.00 O ATOM 789 CB LEU A 51 -0.665 8.239 -6.840 1.00 0.00 C ATOM 790 CG LEU A 51 -1.464 8.166 -8.141 1.00 0.00 C ATOM 791 CD1 LEU A 51 -0.617 8.632 -9.315 1.00 0.00 C ATOM 792 CD2 LEU A 51 -1.972 6.751 -8.377 1.00 0.00 C ATOM 0 H LEU A 51 0.137 8.531 -4.447 1.00 0.00 H new ATOM 0 HA LEU A 51 -2.377 7.678 -5.667 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -0.502 9.289 -6.595 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.316 7.796 -7.014 1.00 0.00 H new ATOM 0 HG LEU A 51 -2.324 8.830 -8.053 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -1.203 8.573 -10.232 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -0.303 9.663 -9.151 1.00 0.00 H new ATOM 0 HD13 LEU A 51 0.263 7.995 -9.405 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -2.539 6.718 -9.308 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -1.126 6.067 -8.443 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -2.616 6.453 -7.550 1.00 0.00 H new ATOM 804 N VAL A 52 -1.973 5.246 -5.307 1.00 0.00 N ATOM 805 CA VAL A 52 -1.803 3.798 -5.293 1.00 0.00 C ATOM 806 C VAL A 52 -2.424 3.160 -6.530 1.00 0.00 C ATOM 807 O VAL A 52 -3.505 3.553 -6.969 1.00 0.00 O ATOM 808 CB VAL A 52 -2.432 3.171 -4.035 1.00 0.00 C ATOM 809 CG1 VAL A 52 -3.923 3.468 -3.979 1.00 0.00 C ATOM 810 CG2 VAL A 52 -2.177 1.672 -4.002 1.00 0.00 C ATOM 0 H VAL A 52 -2.903 5.564 -5.035 1.00 0.00 H new ATOM 0 HA VAL A 52 -0.730 3.605 -5.288 1.00 0.00 H new ATOM 0 HB VAL A 52 -1.964 3.615 -3.156 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -4.350 3.017 -3.083 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -4.078 4.547 -3.952 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -4.410 3.053 -4.862 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -2.629 1.246 -3.106 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.616 1.209 -4.885 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -1.103 1.486 -3.991 1.00 0.00 H new ATOM 820 N HIS A 53 -1.733 2.171 -7.089 1.00 0.00 N ATOM 821 CA HIS A 53 -2.217 1.476 -8.277 1.00 0.00 C ATOM 822 C HIS A 53 -2.655 0.055 -7.934 1.00 0.00 C ATOM 823 O HIS A 53 -1.999 -0.637 -7.155 1.00 0.00 O ATOM 824 CB HIS A 53 -1.131 1.442 -9.352 1.00 0.00 C ATOM 825 CG HIS A 53 -1.219 0.250 -10.255 1.00 0.00 C ATOM 826 ND1 HIS A 53 -2.096 0.172 -11.316 1.00 0.00 N ATOM 827 CD2 HIS A 53 -0.531 -0.916 -10.251 1.00 0.00 C ATOM 828 CE1 HIS A 53 -1.945 -0.990 -11.924 1.00 0.00 C ATOM 829 NE2 HIS A 53 -1.001 -1.669 -11.298 1.00 0.00 N ATOM 0 H HIS A 53 -0.837 1.833 -6.739 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.080 2.021 -8.660 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -1.198 2.349 -9.953 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -0.154 1.451 -8.870 1.00 0.00 H new ATOM 0 HD2 HIS A 53 0.243 -1.201 -9.554 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -2.499 -1.328 -12.787 1.00 0.00 H new ATOM 0 HE2 HIS A 53 -0.674 -2.601 -11.551 1.00 0.00 H new ATOM 1005 N GLU A 63 -5.537 5.028 -8.577 1.00 0.00 N ATOM 1006 CA GLU A 63 -6.393 5.970 -7.866 1.00 0.00 C ATOM 1007 C GLU A 63 -5.730 6.437 -6.573 1.00 0.00 C ATOM 1008 O GLU A 63 -5.074 5.658 -5.882 1.00 0.00 O ATOM 1009 CB GLU A 63 -7.747 5.329 -7.554 1.00 0.00 C ATOM 1010 CG GLU A 63 -8.589 6.130 -6.575 1.00 0.00 C ATOM 1011 CD GLU A 63 -9.703 5.308 -5.956 1.00 0.00 C ATOM 1012 OE1 GLU A 63 -9.400 4.441 -5.110 1.00 0.00 O ATOM 1013 OE2 GLU A 63 -10.877 5.532 -6.318 1.00 0.00 O ATOM 0 HA GLU A 63 -6.549 6.836 -8.509 1.00 0.00 H new ATOM 0 HB2 GLU A 63 -8.304 5.206 -8.483 1.00 0.00 H new ATOM 0 HB3 GLU A 63 -7.582 4.332 -7.147 1.00 0.00 H new ATOM 0 HG2 GLU A 63 -7.948 6.520 -5.784 1.00 0.00 H new ATOM 0 HG3 GLU A 63 -9.019 6.989 -7.090 1.00 0.00 H new ATOM 1020 N TRP A 64 -5.906 7.714 -6.253 1.00 0.00 N ATOM 1021 CA TRP A 64 -5.324 8.287 -5.044 1.00 0.00 C ATOM 1022 C TRP A 64 -6.111 7.863 -3.809 1.00 0.00 C ATOM 1023 O TRP A 64 -7.340 7.932 -3.791 1.00 0.00 O ATOM 1024 CB TRP A 64 -5.290 9.813 -5.143 1.00 0.00 C ATOM 1025 CG TRP A 64 -4.260 10.322 -6.106 1.00 0.00 C ATOM 1026 CD1 TRP A 64 -4.380 10.412 -7.463 1.00 0.00 C ATOM 1027 CD2 TRP A 64 -2.953 10.809 -5.784 1.00 0.00 C ATOM 1028 NE1 TRP A 64 -3.227 10.926 -8.004 1.00 0.00 N ATOM 1029 CE2 TRP A 64 -2.336 11.179 -6.995 1.00 0.00 C ATOM 1030 CE3 TRP A 64 -2.244 10.971 -4.590 1.00 0.00 C ATOM 1031 CZ2 TRP A 64 -1.045 11.698 -7.045 1.00 0.00 C ATOM 1032 CZ3 TRP A 64 -0.963 11.487 -4.641 1.00 0.00 C ATOM 1033 CH2 TRP A 64 -0.374 11.846 -5.861 1.00 0.00 C ATOM 0 H TRP A 64 -6.447 8.372 -6.814 1.00 0.00 H new ATOM 0 HA TRP A 64 -4.304 7.914 -4.949 1.00 0.00 H new ATOM 0 HB2 TRP A 64 -6.272 10.172 -5.449 1.00 0.00 H new ATOM 0 HB3 TRP A 64 -5.092 10.230 -4.156 1.00 0.00 H new ATOM 0 HD1 TRP A 64 -5.253 10.122 -8.028 1.00 0.00 H new ATOM 0 HE1 TRP A 64 -3.061 11.092 -8.997 1.00 0.00 H new ATOM 0 HE3 TRP A 64 -2.689 10.698 -3.645 1.00 0.00 H new ATOM 0 HZ2 TRP A 64 -0.589 11.974 -7.984 1.00 0.00 H new ATOM 0 HZ3 TRP A 64 -0.406 11.616 -3.725 1.00 0.00 H new ATOM 0 HH2 TRP A 64 0.629 12.247 -5.867 1.00 0.00 H new ATOM 1044 N ILE A 65 -5.396 7.424 -2.779 1.00 0.00 N ATOM 1045 CA ILE A 65 -6.028 6.991 -1.539 1.00 0.00 C ATOM 1046 C ILE A 65 -5.341 7.609 -0.326 1.00 0.00 C ATOM 1047 O ILE A 65 -4.121 7.526 -0.181 1.00 0.00 O ATOM 1048 CB ILE A 65 -6.006 5.457 -1.402 1.00 0.00 C ATOM 1049 CG1 ILE A 65 -6.687 4.805 -2.607 1.00 0.00 C ATOM 1050 CG2 ILE A 65 -6.684 5.031 -0.108 1.00 0.00 C ATOM 1051 CD1 ILE A 65 -6.723 3.295 -2.536 1.00 0.00 C ATOM 0 H ILE A 65 -4.378 7.359 -2.779 1.00 0.00 H new ATOM 0 HA ILE A 65 -7.063 7.329 -1.578 1.00 0.00 H new ATOM 0 HB ILE A 65 -4.968 5.125 -1.372 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -7.707 5.181 -2.685 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -6.165 5.106 -3.516 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.660 3.944 -0.026 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -6.159 5.471 0.740 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -7.719 5.372 -0.110 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -7.220 2.901 -3.422 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -5.705 2.909 -2.489 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -7.270 2.986 -1.646 1.00 0.00 H new ATOM 1063 N TYR A 66 -6.132 8.227 0.544 1.00 0.00 N ATOM 1064 CA TYR A 66 -5.601 8.860 1.745 1.00 0.00 C ATOM 1065 C TYR A 66 -4.832 7.853 2.596 1.00 0.00 C ATOM 1066 O TYR A 66 -5.402 6.886 3.100 1.00 0.00 O ATOM 1067 CB TYR A 66 -6.734 9.478 2.566 1.00 0.00 C ATOM 1068 CG TYR A 66 -7.265 10.770 1.988 1.00 0.00 C ATOM 1069 CD1 TYR A 66 -6.399 11.770 1.560 1.00 0.00 C ATOM 1070 CD2 TYR A 66 -8.631 10.992 1.871 1.00 0.00 C ATOM 1071 CE1 TYR A 66 -6.879 12.953 1.032 1.00 0.00 C ATOM 1072 CE2 TYR A 66 -9.120 12.172 1.343 1.00 0.00 C ATOM 1073 CZ TYR A 66 -8.240 13.149 0.925 1.00 0.00 C ATOM 1074 OH TYR A 66 -8.724 14.325 0.400 1.00 0.00 O ATOM 0 H TYR A 66 -7.144 8.303 0.440 1.00 0.00 H new ATOM 0 HA TYR A 66 -4.914 9.648 1.436 1.00 0.00 H new ATOM 0 HB2 TYR A 66 -7.551 8.760 2.640 1.00 0.00 H new ATOM 0 HB3 TYR A 66 -6.378 9.662 3.580 1.00 0.00 H new ATOM 0 HD1 TYR A 66 -5.333 11.619 1.642 1.00 0.00 H new ATOM 0 HD2 TYR A 66 -9.323 10.230 2.198 1.00 0.00 H new ATOM 0 HE1 TYR A 66 -6.192 13.720 0.705 1.00 0.00 H new ATOM 0 HE2 TYR A 66 -10.185 12.328 1.258 1.00 0.00 H new ATOM 0 HH TYR A 66 -9.704 14.302 0.394 1.00 0.00 H new ATOM 1084 N TRP A 67 -3.534 8.090 2.752 1.00 0.00 N ATOM 1085 CA TRP A 67 -2.686 7.206 3.543 1.00 0.00 C ATOM 1086 C TRP A 67 -3.182 7.118 4.981 1.00 0.00 C ATOM 1087 O TRP A 67 -2.706 6.294 5.763 1.00 0.00 O ATOM 1088 CB TRP A 67 -1.238 7.699 3.519 1.00 0.00 C ATOM 1089 CG TRP A 67 -1.094 9.138 3.912 1.00 0.00 C ATOM 1090 CD1 TRP A 67 -2.102 10.030 4.141 1.00 0.00 C ATOM 1091 CD2 TRP A 67 0.130 9.851 4.120 1.00 0.00 C ATOM 1092 NE1 TRP A 67 -1.579 11.254 4.479 1.00 0.00 N ATOM 1093 CE2 TRP A 67 -0.212 11.171 4.475 1.00 0.00 C ATOM 1094 CE3 TRP A 67 1.481 9.503 4.044 1.00 0.00 C ATOM 1095 CZ2 TRP A 67 0.749 12.140 4.750 1.00 0.00 C ATOM 1096 CZ3 TRP A 67 2.434 10.466 4.318 1.00 0.00 C ATOM 1097 CH2 TRP A 67 2.064 11.772 4.668 1.00 0.00 C ATOM 0 H TRP A 67 -3.047 8.886 2.341 1.00 0.00 H new ATOM 0 HA TRP A 67 -2.731 6.210 3.102 1.00 0.00 H new ATOM 0 HB2 TRP A 67 -0.641 7.084 4.193 1.00 0.00 H new ATOM 0 HB3 TRP A 67 -0.831 7.561 2.517 1.00 0.00 H new ATOM 0 HD1 TRP A 67 -3.156 9.806 4.067 1.00 0.00 H new ATOM 0 HE1 TRP A 67 -2.121 12.090 4.698 1.00 0.00 H new ATOM 0 HE3 TRP A 67 1.776 8.499 3.776 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 0.466 13.147 5.019 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 3.481 10.208 4.261 1.00 0.00 H new ATOM 0 HH2 TRP A 67 2.832 12.502 4.877 1.00 0.00 H new ATOM 1108 N ASP A 68 -4.141 7.971 5.325 1.00 0.00 N ATOM 1109 CA ASP A 68 -4.703 7.988 6.671 1.00 0.00 C ATOM 1110 C ASP A 68 -6.130 7.451 6.670 1.00 0.00 C ATOM 1111 O ASP A 68 -6.908 7.725 7.585 1.00 0.00 O ATOM 1112 CB ASP A 68 -4.679 9.408 7.238 1.00 0.00 C ATOM 1113 CG ASP A 68 -5.362 9.503 8.588 1.00 0.00 C ATOM 1114 OD1 ASP A 68 -4.777 9.028 9.585 1.00 0.00 O ATOM 1115 OD2 ASP A 68 -6.481 10.053 8.649 1.00 0.00 O ATOM 0 H ASP A 68 -4.545 8.660 4.691 1.00 0.00 H new ATOM 0 HA ASP A 68 -4.092 7.343 7.302 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -3.645 9.741 7.333 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.169 10.084 6.538 1.00 0.00 H new ATOM 1120 N SER A 69 -6.469 6.685 5.638 1.00 0.00 N ATOM 1121 CA SER A 69 -7.805 6.113 5.516 1.00 0.00 C ATOM 1122 C SER A 69 -7.937 4.854 6.367 1.00 0.00 C ATOM 1123 O SER A 69 -9.033 4.491 6.791 1.00 0.00 O ATOM 1124 CB SER A 69 -8.111 5.787 4.053 1.00 0.00 C ATOM 1125 OG SER A 69 -9.504 5.849 3.797 1.00 0.00 O ATOM 0 H SER A 69 -5.837 6.446 4.874 1.00 0.00 H new ATOM 0 HA SER A 69 -8.523 6.850 5.875 1.00 0.00 H new ATOM 0 HB2 SER A 69 -7.587 6.488 3.404 1.00 0.00 H new ATOM 0 HB3 SER A 69 -7.738 4.791 3.813 1.00 0.00 H new ATOM 0 HG SER A 69 -9.655 5.974 2.837 1.00 0.00 H new ATOM 1131 N ASN A 70 -6.811 4.193 6.614 1.00 0.00 N ATOM 1132 CA ASN A 70 -6.799 2.974 7.414 1.00 0.00 C ATOM 1133 C ASN A 70 -7.538 1.847 6.699 1.00 0.00 C ATOM 1134 O ASN A 70 -8.185 1.015 7.334 1.00 0.00 O ATOM 1135 CB ASN A 70 -7.438 3.231 8.781 1.00 0.00 C ATOM 1136 CG ASN A 70 -6.941 4.513 9.419 1.00 0.00 C ATOM 1137 OD1 ASN A 70 -5.900 5.048 9.037 1.00 0.00 O ATOM 1138 ND2 ASN A 70 -7.685 5.013 10.399 1.00 0.00 N ATOM 0 H ASN A 70 -5.895 4.481 6.271 1.00 0.00 H new ATOM 0 HA ASN A 70 -5.761 2.672 7.556 1.00 0.00 H new ATOM 0 HB2 ASN A 70 -8.521 3.280 8.669 1.00 0.00 H new ATOM 0 HB3 ASN A 70 -7.223 2.392 9.443 1.00 0.00 H new ATOM 0 HD21 ASN A 70 -7.401 5.874 10.867 1.00 0.00 H new ATOM 0 HD22 ASN A 70 -8.541 4.536 10.684 1.00 0.00 H new ATOM 1145 N ARG A 71 -7.434 1.826 5.374 1.00 0.00 N ATOM 1146 CA ARG A 71 -8.092 0.802 4.572 1.00 0.00 C ATOM 1147 C ARG A 71 -7.067 -0.046 3.825 1.00 0.00 C ATOM 1148 O ARG A 71 -7.399 -0.732 2.857 1.00 0.00 O ATOM 1149 CB ARG A 71 -9.060 1.446 3.578 1.00 0.00 C ATOM 1150 CG ARG A 71 -10.062 2.387 4.225 1.00 0.00 C ATOM 1151 CD ARG A 71 -10.705 3.307 3.200 1.00 0.00 C ATOM 1152 NE ARG A 71 -11.700 4.190 3.804 1.00 0.00 N ATOM 1153 CZ ARG A 71 -12.705 4.736 3.129 1.00 0.00 C ATOM 1154 NH1 ARG A 71 -12.849 4.490 1.834 1.00 0.00 N ATOM 1155 NH2 ARG A 71 -13.569 5.529 3.749 1.00 0.00 N ATOM 0 H ARG A 71 -6.900 2.507 4.833 1.00 0.00 H new ATOM 0 HA ARG A 71 -8.652 0.153 5.245 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -8.488 1.996 2.831 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -9.601 0.661 3.050 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -10.834 1.807 4.730 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -9.562 2.984 4.988 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -9.934 3.907 2.717 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -11.177 2.708 2.421 1.00 0.00 H new ATOM 0 HE ARG A 71 -11.618 4.399 4.799 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -12.187 3.880 1.354 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -13.622 4.911 1.318 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -13.462 5.720 4.745 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -14.340 5.948 3.229 1.00 0.00 H new ATOM 1169 N LEU A 72 -5.820 0.007 4.279 1.00 0.00 N ATOM 1170 CA LEU A 72 -4.745 -0.755 3.654 1.00 0.00 C ATOM 1171 C LEU A 72 -4.136 -1.748 4.640 1.00 0.00 C ATOM 1172 O LEU A 72 -4.189 -1.544 5.853 1.00 0.00 O ATOM 1173 CB LEU A 72 -3.662 0.189 3.129 1.00 0.00 C ATOM 1174 CG LEU A 72 -4.156 1.489 2.493 1.00 0.00 C ATOM 1175 CD1 LEU A 72 -3.136 2.600 2.688 1.00 0.00 C ATOM 1176 CD2 LEU A 72 -4.446 1.282 1.013 1.00 0.00 C ATOM 0 H LEU A 72 -5.528 0.570 5.078 1.00 0.00 H new ATOM 0 HA LEU A 72 -5.168 -1.313 2.819 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.997 0.442 3.955 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.065 -0.349 2.392 1.00 0.00 H new ATOM 0 HG LEU A 72 -5.082 1.784 2.987 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -3.505 3.517 2.229 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -2.978 2.766 3.754 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -2.193 2.314 2.221 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.797 2.217 0.577 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -3.536 0.963 0.505 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -5.214 0.517 0.896 1.00 0.00 H new ATOM 1188 N ARG A 73 -3.557 -2.820 4.110 1.00 0.00 N ATOM 1189 CA ARG A 73 -2.937 -3.843 4.943 1.00 0.00 C ATOM 1190 C ARG A 73 -1.503 -4.113 4.497 1.00 0.00 C ATOM 1191 O ARG A 73 -1.142 -3.922 3.335 1.00 0.00 O ATOM 1192 CB ARG A 73 -3.751 -5.137 4.889 1.00 0.00 C ATOM 1193 CG ARG A 73 -5.253 -4.911 4.855 1.00 0.00 C ATOM 1194 CD ARG A 73 -6.015 -6.169 5.240 1.00 0.00 C ATOM 1195 NE ARG A 73 -6.012 -7.161 4.167 1.00 0.00 N ATOM 1196 CZ ARG A 73 -6.173 -8.463 4.370 1.00 0.00 C ATOM 1197 NH1 ARG A 73 -6.351 -8.929 5.599 1.00 0.00 N ATOM 1198 NH2 ARG A 73 -6.158 -9.303 3.343 1.00 0.00 N ATOM 0 H ARG A 73 -3.504 -3.003 3.108 1.00 0.00 H new ATOM 0 HA ARG A 73 -2.917 -3.476 5.969 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -3.457 -5.704 4.006 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -3.504 -5.748 5.757 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -5.516 -4.102 5.537 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -5.552 -4.595 3.856 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -5.570 -6.602 6.136 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -7.043 -5.908 5.489 1.00 0.00 H new ATOM 0 HE ARG A 73 -5.879 -6.835 3.210 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -6.364 -8.286 6.391 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -6.474 -9.930 5.752 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -6.023 -8.949 2.396 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -6.282 -10.303 3.500 1.00 0.00 H new ATOM 1212 N PRO A 74 -0.664 -4.566 5.440 1.00 0.00 N ATOM 1213 CA PRO A 74 0.744 -4.871 5.167 1.00 0.00 C ATOM 1214 C PRO A 74 0.909 -6.106 4.288 1.00 0.00 C ATOM 1215 O PRO A 74 0.919 -7.235 4.781 1.00 0.00 O ATOM 1216 CB PRO A 74 1.328 -5.124 6.559 1.00 0.00 C ATOM 1217 CG PRO A 74 0.166 -5.558 7.385 1.00 0.00 C ATOM 1218 CD PRO A 74 -1.025 -4.816 6.845 1.00 0.00 C ATOM 0 HA PRO A 74 1.238 -4.066 4.622 1.00 0.00 H new ATOM 0 HB2 PRO A 74 2.102 -5.891 6.530 1.00 0.00 H new ATOM 0 HB3 PRO A 74 1.788 -4.223 6.965 1.00 0.00 H new ATOM 0 HG2 PRO A 74 0.019 -6.636 7.316 1.00 0.00 H new ATOM 0 HG3 PRO A 74 0.327 -5.325 8.438 1.00 0.00 H new ATOM 0 HD2 PRO A 74 -1.937 -5.407 6.926 1.00 0.00 H new ATOM 0 HD3 PRO A 74 -1.198 -3.886 7.387 1.00 0.00 H new ATOM 1226 N LEU A 75 1.040 -5.885 2.985 1.00 0.00 N ATOM 1227 CA LEU A 75 1.206 -6.981 2.036 1.00 0.00 C ATOM 1228 C LEU A 75 2.429 -7.823 2.385 1.00 0.00 C ATOM 1229 O LEU A 75 3.410 -7.314 2.925 1.00 0.00 O ATOM 1230 CB LEU A 75 1.339 -6.434 0.613 1.00 0.00 C ATOM 1231 CG LEU A 75 1.572 -7.471 -0.486 1.00 0.00 C ATOM 1232 CD1 LEU A 75 0.260 -8.128 -0.887 1.00 0.00 C ATOM 1233 CD2 LEU A 75 2.240 -6.828 -1.693 1.00 0.00 C ATOM 0 H LEU A 75 1.035 -4.957 2.561 1.00 0.00 H new ATOM 0 HA LEU A 75 0.322 -7.616 2.094 1.00 0.00 H new ATOM 0 HB2 LEU A 75 0.433 -5.877 0.373 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.165 -5.723 0.594 1.00 0.00 H new ATOM 0 HG LEU A 75 2.236 -8.242 -0.096 1.00 0.00 H new ATOM 0 HD11 LEU A 75 0.446 -8.863 -1.670 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -0.178 -8.624 -0.021 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -0.429 -7.369 -1.258 1.00 0.00 H new ATOM 0 HD21 LEU A 75 2.398 -7.581 -2.465 1.00 0.00 H new ATOM 0 HD22 LEU A 75 1.601 -6.036 -2.084 1.00 0.00 H new ATOM 0 HD23 LEU A 75 3.200 -6.406 -1.396 1.00 0.00 H new