USER MOD reduce.3.24.130724 H: found=0, std=0, add=394, rem=0, adj=7 USER MOD reduce.3.24.130724 removed 395 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 9 SER OG : rot 180:sc= -0.266 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -3.76! C(o=-3.8!,f=-7!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 23 ASN : amide:sc= -1.01 K(o=-1,f=-0.16) USER MOD Single : A 25 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.094 USER MOD Single : A 32 GLN : amide:sc= -0.039 K(o=-0.039,f=-1.1) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot -39:sc= -0.696 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.299 K(o=-0.3,f=-7.1!) USER MOD Single : A 44 GLN : amide:sc= -0.245 K(o=-0.24,f=-1) USER MOD Single : A 46 LYS NZ :NH3+ 164:sc= -0.0087 (180deg=-0.1) USER MOD Single : A 50 GLN : amide:sc= -1.76 K(o=-1.8,f=-2.3) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 175 N SER A 9 -8.123 -6.730 3.551 1.00 0.00 N ATOM 176 CA SER A 9 -9.170 -7.576 2.990 1.00 0.00 C ATOM 177 C SER A 9 -8.915 -7.837 1.511 1.00 0.00 C ATOM 178 O SER A 9 -8.278 -7.034 0.835 1.00 0.00 O ATOM 179 CB SER A 9 -10.538 -6.914 3.170 1.00 0.00 C ATOM 180 OG SER A 9 -10.793 -5.979 2.133 1.00 0.00 O ATOM 0 HA SER A 9 -9.160 -8.528 3.520 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.317 -7.677 3.176 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.578 -6.410 4.136 1.00 0.00 H new ATOM 0 HG SER A 9 -11.673 -5.571 2.270 1.00 0.00 H new ATOM 186 N SER A 10 -9.421 -8.961 1.012 1.00 0.00 N ATOM 187 CA SER A 10 -9.246 -9.312 -0.393 1.00 0.00 C ATOM 188 C SER A 10 -9.711 -8.174 -1.296 1.00 0.00 C ATOM 189 O SER A 10 -9.095 -7.890 -2.323 1.00 0.00 O ATOM 190 CB SER A 10 -10.017 -10.589 -0.722 1.00 0.00 C ATOM 191 OG SER A 10 -10.125 -10.775 -2.123 1.00 0.00 O ATOM 0 H SER A 10 -9.952 -9.641 1.556 1.00 0.00 H new ATOM 0 HA SER A 10 -8.184 -9.484 -0.571 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.513 -11.447 -0.276 1.00 0.00 H new ATOM 0 HB3 SER A 10 -11.013 -10.540 -0.281 1.00 0.00 H new ATOM 0 HG SER A 10 -10.621 -11.600 -2.306 1.00 0.00 H new ATOM 197 N GLU A 11 -10.797 -7.519 -0.897 1.00 0.00 N ATOM 198 CA GLU A 11 -11.337 -6.403 -1.665 1.00 0.00 C ATOM 199 C GLU A 11 -10.321 -5.270 -1.731 1.00 0.00 C ATOM 200 O GLU A 11 -10.029 -4.745 -2.807 1.00 0.00 O ATOM 201 CB GLU A 11 -12.642 -5.905 -1.039 1.00 0.00 C ATOM 202 CG GLU A 11 -13.886 -6.513 -1.666 1.00 0.00 C ATOM 203 CD GLU A 11 -15.106 -6.395 -0.772 1.00 0.00 C ATOM 204 OE1 GLU A 11 -15.230 -7.202 0.172 1.00 0.00 O ATOM 205 OE2 GLU A 11 -15.938 -5.497 -1.019 1.00 0.00 O ATOM 0 H GLU A 11 -11.319 -7.741 -0.049 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.547 -6.748 -2.678 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -12.634 -6.132 0.027 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.690 -4.820 -1.134 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -14.088 -6.020 -2.617 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -13.701 -7.565 -1.885 1.00 0.00 H new ATOM 212 N GLN A 12 -9.771 -4.911 -0.575 1.00 0.00 N ATOM 213 CA GLN A 12 -8.771 -3.855 -0.507 1.00 0.00 C ATOM 214 C GLN A 12 -7.499 -4.298 -1.218 1.00 0.00 C ATOM 215 O GLN A 12 -6.779 -3.486 -1.798 1.00 0.00 O ATOM 216 CB GLN A 12 -8.464 -3.504 0.951 1.00 0.00 C ATOM 217 CG GLN A 12 -9.701 -3.181 1.774 1.00 0.00 C ATOM 218 CD GLN A 12 -9.496 -3.431 3.255 1.00 0.00 C ATOM 219 OE1 GLN A 12 -8.496 -4.019 3.665 1.00 0.00 O ATOM 220 NE2 GLN A 12 -10.447 -2.983 4.067 1.00 0.00 N ATOM 0 H GLN A 12 -10.001 -5.335 0.324 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.165 -2.967 -1.002 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -7.938 -4.339 1.414 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -7.788 -2.649 0.975 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.973 -2.137 1.620 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.537 -3.784 1.419 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.260 -2.500 3.683 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.365 -3.121 5.074 1.00 0.00 H new ATOM 229 N LEU A 13 -7.238 -5.601 -1.171 1.00 0.00 N ATOM 230 CA LEU A 13 -6.065 -6.178 -1.810 1.00 0.00 C ATOM 231 C LEU A 13 -6.131 -5.974 -3.318 1.00 0.00 C ATOM 232 O LEU A 13 -5.178 -5.499 -3.934 1.00 0.00 O ATOM 233 CB LEU A 13 -5.978 -7.674 -1.487 1.00 0.00 C ATOM 234 CG LEU A 13 -5.106 -8.044 -0.281 1.00 0.00 C ATOM 235 CD1 LEU A 13 -3.641 -8.099 -0.682 1.00 0.00 C ATOM 236 CD2 LEU A 13 -5.309 -7.064 0.869 1.00 0.00 C ATOM 0 H LEU A 13 -7.830 -6.280 -0.692 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.175 -5.678 -1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.987 -8.048 -1.311 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -5.593 -8.195 -2.364 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.411 -9.032 0.064 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.036 -8.363 0.185 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -3.505 -8.849 -1.461 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.330 -7.124 -1.058 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -4.677 -7.353 1.709 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -5.041 -6.059 0.542 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -6.354 -7.078 1.179 1.00 0.00 H new ATOM 248 N ALA A 14 -7.271 -6.332 -3.904 1.00 0.00 N ATOM 249 CA ALA A 14 -7.470 -6.183 -5.339 1.00 0.00 C ATOM 250 C ALA A 14 -7.395 -4.716 -5.746 1.00 0.00 C ATOM 251 O ALA A 14 -6.771 -4.370 -6.748 1.00 0.00 O ATOM 252 CB ALA A 14 -8.807 -6.783 -5.752 1.00 0.00 C ATOM 0 H ALA A 14 -8.069 -6.727 -3.406 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.673 -6.720 -5.854 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -8.942 -6.664 -6.827 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -8.824 -7.843 -5.499 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.613 -6.272 -5.226 1.00 0.00 H new ATOM 258 N ARG A 15 -8.031 -3.857 -4.956 1.00 0.00 N ATOM 259 CA ARG A 15 -8.030 -2.426 -5.230 1.00 0.00 C ATOM 260 C ARG A 15 -6.610 -1.874 -5.168 1.00 0.00 C ATOM 261 O ARG A 15 -6.173 -1.149 -6.063 1.00 0.00 O ATOM 262 CB ARG A 15 -8.921 -1.691 -4.228 1.00 0.00 C ATOM 263 CG ARG A 15 -9.671 -0.513 -4.828 1.00 0.00 C ATOM 264 CD ARG A 15 -10.662 -0.962 -5.890 1.00 0.00 C ATOM 265 NE ARG A 15 -12.031 -0.575 -5.558 1.00 0.00 N ATOM 266 CZ ARG A 15 -13.106 -1.025 -6.203 1.00 0.00 C ATOM 267 NH1 ARG A 15 -12.974 -1.877 -7.212 1.00 0.00 N ATOM 268 NH2 ARG A 15 -14.315 -0.622 -5.838 1.00 0.00 N ATOM 0 H ARG A 15 -8.553 -4.127 -4.122 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.425 -2.268 -6.234 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.641 -2.395 -3.811 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.306 -1.336 -3.401 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -10.200 0.022 -4.039 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.959 0.187 -5.266 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.385 -0.528 -6.851 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.608 -2.045 -6.002 1.00 0.00 H new ATOM 0 HE ARG A 15 -12.172 0.078 -4.787 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -12.046 -2.190 -7.497 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.801 -2.219 -7.703 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -14.422 0.033 -5.063 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -15.138 -0.967 -6.332 1.00 0.00 H new ATOM 282 N LEU A 16 -5.893 -2.228 -4.107 1.00 0.00 N ATOM 283 CA LEU A 16 -4.520 -1.775 -3.926 1.00 0.00 C ATOM 284 C LEU A 16 -3.623 -2.329 -5.027 1.00 0.00 C ATOM 285 O LEU A 16 -2.776 -1.617 -5.567 1.00 0.00 O ATOM 286 CB LEU A 16 -3.997 -2.204 -2.553 1.00 0.00 C ATOM 287 CG LEU A 16 -4.581 -1.435 -1.368 1.00 0.00 C ATOM 288 CD1 LEU A 16 -4.563 -2.294 -0.113 1.00 0.00 C ATOM 289 CD2 LEU A 16 -3.812 -0.142 -1.141 1.00 0.00 C ATOM 0 H LEU A 16 -6.241 -2.828 -3.359 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.506 -0.687 -3.984 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.207 -3.265 -2.417 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -2.913 -2.089 -2.542 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.617 -1.184 -1.597 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -4.982 -1.730 0.720 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -5.157 -3.193 -0.279 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -3.536 -2.576 0.120 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.241 0.393 -0.294 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.767 -0.372 -0.933 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.876 0.481 -2.033 1.00 0.00 H new ATOM 301 N LYS A 17 -3.818 -3.601 -5.359 1.00 0.00 N ATOM 302 CA LYS A 17 -3.031 -4.247 -6.404 1.00 0.00 C ATOM 303 C LYS A 17 -3.273 -3.575 -7.750 1.00 0.00 C ATOM 304 O LYS A 17 -2.343 -3.368 -8.530 1.00 0.00 O ATOM 305 CB LYS A 17 -3.379 -5.736 -6.492 1.00 0.00 C ATOM 306 CG LYS A 17 -2.268 -6.652 -6.005 1.00 0.00 C ATOM 307 CD LYS A 17 -2.631 -8.116 -6.198 1.00 0.00 C ATOM 308 CE LYS A 17 -1.982 -8.999 -5.144 1.00 0.00 C ATOM 309 NZ LYS A 17 -0.842 -9.779 -5.698 1.00 0.00 N ATOM 0 H LYS A 17 -4.513 -4.205 -4.920 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.976 -4.146 -6.148 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.278 -5.925 -5.905 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.616 -5.984 -7.527 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.348 -6.429 -6.545 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -2.072 -6.460 -4.950 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.714 -8.232 -6.153 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.316 -8.441 -7.190 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.631 -8.380 -4.318 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -2.726 -9.683 -4.736 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -0.427 -10.368 -4.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -1.181 -10.389 -6.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -0.120 -9.126 -6.065 1.00 0.00 H new ATOM 323 N ARG A 18 -4.531 -3.235 -8.014 1.00 0.00 N ATOM 324 CA ARG A 18 -4.901 -2.584 -9.264 1.00 0.00 C ATOM 325 C ARG A 18 -4.204 -1.235 -9.396 1.00 0.00 C ATOM 326 O ARG A 18 -3.663 -0.906 -10.451 1.00 0.00 O ATOM 327 CB ARG A 18 -6.418 -2.397 -9.335 1.00 0.00 C ATOM 328 CG ARG A 18 -6.922 -2.042 -10.725 1.00 0.00 C ATOM 329 CD ARG A 18 -7.903 -3.079 -11.248 1.00 0.00 C ATOM 330 NE ARG A 18 -7.326 -4.422 -11.259 1.00 0.00 N ATOM 331 CZ ARG A 18 -7.828 -5.438 -11.956 1.00 0.00 C ATOM 332 NH1 ARG A 18 -8.914 -5.271 -12.699 1.00 0.00 N ATOM 333 NH2 ARG A 18 -7.241 -6.626 -11.910 1.00 0.00 N ATOM 0 H ARG A 18 -5.311 -3.400 -7.378 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.582 -3.222 -10.089 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.905 -3.314 -9.004 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.712 -1.611 -8.639 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -7.404 -1.065 -10.699 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -6.077 -1.962 -11.409 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -8.800 -3.075 -10.628 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -8.212 -2.809 -12.258 1.00 0.00 H new ATOM 0 HE ARG A 18 -6.490 -4.590 -10.700 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -9.370 -4.359 -12.739 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -9.293 -6.054 -13.231 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -6.405 -6.760 -11.341 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -7.625 -7.406 -12.444 1.00 0.00 H new ATOM 347 N GLU A 19 -4.221 -0.460 -8.316 1.00 0.00 N ATOM 348 CA GLU A 19 -3.589 0.854 -8.310 1.00 0.00 C ATOM 349 C GLU A 19 -2.070 0.727 -8.394 1.00 0.00 C ATOM 350 O GLU A 19 -1.405 1.523 -9.058 1.00 0.00 O ATOM 351 CB GLU A 19 -3.980 1.625 -7.047 1.00 0.00 C ATOM 352 CG GLU A 19 -5.178 2.541 -7.240 1.00 0.00 C ATOM 353 CD GLU A 19 -4.865 3.728 -8.131 1.00 0.00 C ATOM 354 OE1 GLU A 19 -3.669 4.042 -8.303 1.00 0.00 O ATOM 355 OE2 GLU A 19 -5.818 4.343 -8.655 1.00 0.00 O ATOM 0 H GLU A 19 -4.665 -0.719 -7.435 1.00 0.00 H new ATOM 0 HA GLU A 19 -3.938 1.403 -9.185 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.201 0.914 -6.251 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.128 2.219 -6.716 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -6.000 1.972 -7.674 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -5.517 2.900 -6.268 1.00 0.00 H new ATOM 362 N PHE A 20 -1.529 -0.278 -7.714 1.00 0.00 N ATOM 363 CA PHE A 20 -0.090 -0.511 -7.709 1.00 0.00 C ATOM 364 C PHE A 20 0.414 -0.845 -9.110 1.00 0.00 C ATOM 365 O PHE A 20 1.502 -0.424 -9.505 1.00 0.00 O ATOM 366 CB PHE A 20 0.261 -1.645 -6.744 1.00 0.00 C ATOM 367 CG PHE A 20 1.737 -1.823 -6.538 1.00 0.00 C ATOM 368 CD1 PHE A 20 2.407 -1.099 -5.564 1.00 0.00 C ATOM 369 CD2 PHE A 20 2.456 -2.714 -7.318 1.00 0.00 C ATOM 370 CE1 PHE A 20 3.766 -1.261 -5.373 1.00 0.00 C ATOM 371 CE2 PHE A 20 3.815 -2.880 -7.132 1.00 0.00 C ATOM 372 CZ PHE A 20 4.470 -2.153 -6.159 1.00 0.00 C ATOM 0 H PHE A 20 -2.066 -0.944 -7.159 1.00 0.00 H new ATOM 0 HA PHE A 20 0.399 0.405 -7.376 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.211 -1.451 -5.781 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.160 -2.577 -7.123 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.861 -0.400 -4.948 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.948 -3.286 -8.081 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.277 -0.691 -4.611 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.364 -3.578 -7.747 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.532 -2.281 -6.012 1.00 0.00 H new ATOM 382 N ASN A 21 -0.384 -1.602 -9.857 1.00 0.00 N ATOM 383 CA ASN A 21 -0.018 -1.991 -11.213 1.00 0.00 C ATOM 384 C ASN A 21 0.120 -0.766 -12.113 1.00 0.00 C ATOM 385 O ASN A 21 0.883 -0.775 -13.079 1.00 0.00 O ATOM 386 CB ASN A 21 -1.060 -2.950 -11.792 1.00 0.00 C ATOM 387 CG ASN A 21 -0.485 -3.846 -12.871 1.00 0.00 C ATOM 388 OD1 ASN A 21 -0.754 -3.660 -14.057 1.00 0.00 O ATOM 389 ND2 ASN A 21 0.313 -4.827 -12.463 1.00 0.00 N ATOM 0 H ASN A 21 -1.288 -1.958 -9.546 1.00 0.00 H new ATOM 0 HA ASN A 21 0.946 -2.498 -11.170 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -1.467 -3.566 -10.991 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.889 -2.375 -12.205 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.729 -5.462 -13.144 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.509 -4.945 -11.469 1.00 0.00 H new ATOM 396 N GLU A 22 -0.623 0.289 -11.788 1.00 0.00 N ATOM 397 CA GLU A 22 -0.579 1.522 -12.566 1.00 0.00 C ATOM 398 C GLU A 22 0.601 2.388 -12.136 1.00 0.00 C ATOM 399 O GLU A 22 1.249 3.028 -12.963 1.00 0.00 O ATOM 400 CB GLU A 22 -1.886 2.300 -12.401 1.00 0.00 C ATOM 401 CG GLU A 22 -3.129 1.459 -12.645 1.00 0.00 C ATOM 402 CD GLU A 22 -4.364 2.305 -12.892 1.00 0.00 C ATOM 403 OE1 GLU A 22 -4.229 3.390 -13.495 1.00 0.00 O ATOM 404 OE2 GLU A 22 -5.464 1.880 -12.483 1.00 0.00 O ATOM 0 H GLU A 22 -1.261 0.314 -10.993 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.453 1.259 -13.616 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -1.929 2.713 -11.393 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -1.887 3.144 -13.091 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -2.961 0.808 -13.503 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.301 0.813 -11.784 1.00 0.00 H new ATOM 411 N ASN A 23 0.874 2.398 -10.835 1.00 0.00 N ATOM 412 CA ASN A 23 1.978 3.179 -10.290 1.00 0.00 C ATOM 413 C ASN A 23 2.433 2.605 -8.951 1.00 0.00 C ATOM 414 O ASN A 23 1.635 2.453 -8.028 1.00 0.00 O ATOM 415 CB ASN A 23 1.566 4.643 -10.121 1.00 0.00 C ATOM 416 CG ASN A 23 2.731 5.596 -10.300 1.00 0.00 C ATOM 417 OD1 ASN A 23 3.246 5.765 -11.406 1.00 0.00 O ATOM 418 ND2 ASN A 23 3.155 6.224 -9.210 1.00 0.00 N ATOM 0 H ASN A 23 0.345 1.873 -10.138 1.00 0.00 H new ATOM 0 HA ASN A 23 2.810 3.128 -10.992 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.788 4.885 -10.845 1.00 0.00 H new ATOM 0 HB3 ASN A 23 1.134 4.784 -9.130 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.937 6.876 -9.269 1.00 0.00 H new ATOM 0 HD22 ASN A 23 2.699 6.054 -8.314 1.00 0.00 H new ATOM 425 N ARG A 24 3.718 2.280 -8.859 1.00 0.00 N ATOM 426 CA ARG A 24 4.284 1.713 -7.639 1.00 0.00 C ATOM 427 C ARG A 24 4.422 2.758 -6.529 1.00 0.00 C ATOM 428 O ARG A 24 4.825 2.432 -5.413 1.00 0.00 O ATOM 429 CB ARG A 24 5.649 1.089 -7.935 1.00 0.00 C ATOM 430 CG ARG A 24 5.567 -0.171 -8.782 1.00 0.00 C ATOM 431 CD ARG A 24 6.946 -0.744 -9.068 1.00 0.00 C ATOM 432 NE ARG A 24 7.357 -0.515 -10.452 1.00 0.00 N ATOM 433 CZ ARG A 24 8.024 0.563 -10.864 1.00 0.00 C ATOM 434 NH1 ARG A 24 8.357 1.520 -10.005 1.00 0.00 N ATOM 435 NH2 ARG A 24 8.356 0.685 -12.141 1.00 0.00 N ATOM 0 H ARG A 24 4.390 2.400 -9.617 1.00 0.00 H new ATOM 0 HA ARG A 24 3.595 0.945 -7.287 1.00 0.00 H new ATOM 0 HB2 ARG A 24 6.272 1.822 -8.447 1.00 0.00 H new ATOM 0 HB3 ARG A 24 6.144 0.853 -6.993 1.00 0.00 H new ATOM 0 HG2 ARG A 24 4.962 -0.917 -8.267 1.00 0.00 H new ATOM 0 HG3 ARG A 24 5.064 0.054 -9.722 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.674 -0.292 -8.394 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.944 -1.814 -8.863 1.00 0.00 H new ATOM 0 HE ARG A 24 7.119 -1.224 -11.145 1.00 0.00 H new ATOM 0 HH11 ARG A 24 8.102 1.433 -9.021 1.00 0.00 H new ATOM 0 HH12 ARG A 24 8.867 2.341 -10.329 1.00 0.00 H new ATOM 0 HH21 ARG A 24 8.101 -0.045 -12.806 1.00 0.00 H new ATOM 0 HH22 ARG A 24 8.866 1.509 -12.459 1.00 0.00 H new ATOM 449 N TYR A 25 4.091 4.010 -6.834 1.00 0.00 N ATOM 450 CA TYR A 25 4.186 5.083 -5.851 1.00 0.00 C ATOM 451 C TYR A 25 2.801 5.544 -5.416 1.00 0.00 C ATOM 452 O TYR A 25 1.792 4.939 -5.781 1.00 0.00 O ATOM 453 CB TYR A 25 4.976 6.260 -6.427 1.00 0.00 C ATOM 454 CG TYR A 25 6.280 5.852 -7.075 1.00 0.00 C ATOM 455 CD1 TYR A 25 6.329 5.496 -8.417 1.00 0.00 C ATOM 456 CD2 TYR A 25 7.462 5.819 -6.345 1.00 0.00 C ATOM 457 CE1 TYR A 25 7.519 5.120 -9.013 1.00 0.00 C ATOM 458 CE2 TYR A 25 8.655 5.445 -6.933 1.00 0.00 C ATOM 459 CZ TYR A 25 8.678 5.096 -8.267 1.00 0.00 C ATOM 460 OH TYR A 25 9.865 4.722 -8.856 1.00 0.00 O ATOM 0 H TYR A 25 3.756 4.305 -7.751 1.00 0.00 H new ATOM 0 HA TYR A 25 4.710 4.699 -4.976 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.359 6.776 -7.163 1.00 0.00 H new ATOM 0 HB3 TYR A 25 5.183 6.973 -5.629 1.00 0.00 H new ATOM 0 HD1 TYR A 25 5.423 5.513 -9.004 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.448 6.090 -5.300 1.00 0.00 H new ATOM 0 HE1 TYR A 25 7.540 4.847 -10.058 1.00 0.00 H new ATOM 0 HE2 TYR A 25 9.565 5.426 -6.351 1.00 0.00 H new ATOM 0 HH TYR A 25 10.585 4.760 -8.193 1.00 0.00 H new ATOM 470 N LEU A 26 2.756 6.616 -4.632 1.00 0.00 N ATOM 471 CA LEU A 26 1.487 7.148 -4.148 1.00 0.00 C ATOM 472 C LEU A 26 1.542 8.666 -4.012 1.00 0.00 C ATOM 473 O LEU A 26 2.582 9.289 -4.226 1.00 0.00 O ATOM 474 CB LEU A 26 1.132 6.530 -2.790 1.00 0.00 C ATOM 475 CG LEU A 26 0.167 5.339 -2.822 1.00 0.00 C ATOM 476 CD1 LEU A 26 -0.384 5.078 -1.430 1.00 0.00 C ATOM 477 CD2 LEU A 26 -0.978 5.579 -3.793 1.00 0.00 C ATOM 0 H LEU A 26 3.579 7.131 -4.319 1.00 0.00 H new ATOM 0 HA LEU A 26 0.720 6.889 -4.878 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.055 6.210 -2.307 1.00 0.00 H new ATOM 0 HB3 LEU A 26 0.696 7.308 -2.163 1.00 0.00 H new ATOM 0 HG LEU A 26 0.723 4.466 -3.163 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.068 4.230 -1.463 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.438 4.855 -0.749 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.917 5.961 -1.078 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.643 4.716 -3.791 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.534 6.466 -3.488 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.579 5.728 -4.796 1.00 0.00 H new ATOM 489 N THR A 27 0.408 9.245 -3.637 1.00 0.00 N ATOM 490 CA THR A 27 0.295 10.684 -3.445 1.00 0.00 C ATOM 491 C THR A 27 -0.703 10.975 -2.333 1.00 0.00 C ATOM 492 O THR A 27 -1.498 10.112 -1.972 1.00 0.00 O ATOM 493 CB THR A 27 -0.154 11.369 -4.737 1.00 0.00 C ATOM 494 OG1 THR A 27 -1.555 11.222 -4.923 1.00 0.00 O ATOM 495 CG2 THR A 27 0.542 10.837 -5.973 1.00 0.00 C ATOM 0 H THR A 27 -0.455 8.732 -3.458 1.00 0.00 H new ATOM 0 HA THR A 27 1.274 11.076 -3.169 1.00 0.00 H new ATOM 0 HB THR A 27 0.117 12.418 -4.618 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.823 11.668 -5.753 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.176 11.367 -6.853 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.617 10.989 -5.879 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.334 9.772 -6.078 1.00 0.00 H new ATOM 503 N GLU A 28 -0.669 12.186 -1.794 1.00 0.00 N ATOM 504 CA GLU A 28 -1.592 12.557 -0.729 1.00 0.00 C ATOM 505 C GLU A 28 -3.034 12.348 -1.179 1.00 0.00 C ATOM 506 O GLU A 28 -3.838 11.742 -0.472 1.00 0.00 O ATOM 507 CB GLU A 28 -1.372 14.014 -0.313 1.00 0.00 C ATOM 508 CG GLU A 28 -1.245 14.205 1.190 1.00 0.00 C ATOM 509 CD GLU A 28 0.181 14.487 1.624 1.00 0.00 C ATOM 510 OE1 GLU A 28 0.881 15.237 0.912 1.00 0.00 O ATOM 511 OE2 GLU A 28 0.597 13.958 2.677 1.00 0.00 O ATOM 0 H GLU A 28 -0.020 12.922 -2.072 1.00 0.00 H new ATOM 0 HA GLU A 28 -1.399 11.917 0.132 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.470 14.389 -0.796 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -2.203 14.617 -0.679 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -1.886 15.029 1.503 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -1.605 13.310 1.698 1.00 0.00 H new ATOM 518 N ARG A 29 -3.347 12.847 -2.369 1.00 0.00 N ATOM 519 CA ARG A 29 -4.684 12.713 -2.933 1.00 0.00 C ATOM 520 C ARG A 29 -5.078 11.243 -3.071 1.00 0.00 C ATOM 521 O ARG A 29 -6.222 10.867 -2.812 1.00 0.00 O ATOM 522 CB ARG A 29 -4.749 13.402 -4.298 1.00 0.00 C ATOM 523 CG ARG A 29 -5.684 14.600 -4.332 1.00 0.00 C ATOM 524 CD ARG A 29 -7.039 14.235 -4.918 1.00 0.00 C ATOM 525 NE ARG A 29 -7.020 14.231 -6.379 1.00 0.00 N ATOM 526 CZ ARG A 29 -6.942 15.332 -7.123 1.00 0.00 C ATOM 527 NH1 ARG A 29 -6.869 16.526 -6.548 1.00 0.00 N ATOM 528 NH2 ARG A 29 -6.934 15.238 -8.445 1.00 0.00 N ATOM 0 H ARG A 29 -2.689 13.350 -2.964 1.00 0.00 H new ATOM 0 HA ARG A 29 -5.389 13.192 -2.253 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -3.747 13.726 -4.580 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.073 12.678 -5.046 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -5.816 14.988 -3.322 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -5.234 15.397 -4.923 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -7.337 13.251 -4.557 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -7.789 14.944 -4.567 1.00 0.00 H new ATOM 0 HE ARG A 29 -7.069 13.331 -6.857 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.872 16.603 -5.531 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -6.809 17.366 -7.123 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -6.988 14.322 -8.892 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -6.874 16.081 -9.016 1.00 0.00 H new ATOM 542 N ARG A 30 -4.122 10.418 -3.492 1.00 0.00 N ATOM 543 CA ARG A 30 -4.369 8.991 -3.678 1.00 0.00 C ATOM 544 C ARG A 30 -4.568 8.283 -2.344 1.00 0.00 C ATOM 545 O ARG A 30 -5.535 7.544 -2.161 1.00 0.00 O ATOM 546 CB ARG A 30 -3.207 8.347 -4.439 1.00 0.00 C ATOM 547 CG ARG A 30 -3.519 8.065 -5.899 1.00 0.00 C ATOM 548 CD ARG A 30 -4.194 6.714 -6.072 1.00 0.00 C ATOM 549 NE ARG A 30 -5.641 6.798 -5.890 1.00 0.00 N ATOM 550 CZ ARG A 30 -6.461 7.416 -6.737 1.00 0.00 C ATOM 551 NH1 ARG A 30 -5.981 8.004 -7.826 1.00 0.00 N ATOM 552 NH2 ARG A 30 -7.764 7.446 -6.495 1.00 0.00 N ATOM 0 H ARG A 30 -3.170 10.713 -3.710 1.00 0.00 H new ATOM 0 HA ARG A 30 -5.285 8.885 -4.259 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -2.338 9.003 -4.382 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.935 7.413 -3.947 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.166 8.849 -6.292 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -2.598 8.090 -6.481 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -3.976 6.324 -7.066 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -3.779 6.007 -5.354 1.00 0.00 H new ATOM 0 HE ARG A 30 -6.047 6.357 -5.065 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -4.979 7.984 -8.017 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -6.614 8.476 -8.472 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -8.138 6.996 -5.660 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -8.392 7.920 -7.144 1.00 0.00 H new ATOM 566 N ARG A 31 -3.645 8.508 -1.416 1.00 0.00 N ATOM 567 CA ARG A 31 -3.721 7.884 -0.103 1.00 0.00 C ATOM 568 C ARG A 31 -5.036 8.234 0.586 1.00 0.00 C ATOM 569 O ARG A 31 -5.675 7.379 1.201 1.00 0.00 O ATOM 570 CB ARG A 31 -2.538 8.327 0.764 1.00 0.00 C ATOM 571 CG ARG A 31 -1.672 7.174 1.242 1.00 0.00 C ATOM 572 CD ARG A 31 -0.291 7.651 1.662 1.00 0.00 C ATOM 573 NE ARG A 31 0.375 8.407 0.603 1.00 0.00 N ATOM 574 CZ ARG A 31 1.550 9.013 0.753 1.00 0.00 C ATOM 575 NH1 ARG A 31 2.195 8.949 1.911 1.00 0.00 N ATOM 576 NH2 ARG A 31 2.084 9.684 -0.259 1.00 0.00 N ATOM 0 H ARG A 31 -2.837 9.117 -1.549 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.678 6.803 -0.235 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.921 9.023 0.195 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.916 8.871 1.630 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.157 6.677 2.082 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -1.576 6.435 0.446 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.378 8.274 2.552 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.322 6.792 1.934 1.00 0.00 H new ATOM 0 HE ARG A 31 -0.088 8.474 -0.303 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.790 8.433 2.692 1.00 0.00 H new ATOM 0 HH12 ARG A 31 3.095 9.416 2.020 1.00 0.00 H new ATOM 0 HH21 ARG A 31 1.594 9.735 -1.152 1.00 0.00 H new ATOM 0 HH22 ARG A 31 2.985 10.149 -0.144 1.00 0.00 H new ATOM 590 N GLN A 32 -5.433 9.498 0.478 1.00 0.00 N ATOM 591 CA GLN A 32 -6.671 9.963 1.088 1.00 0.00 C ATOM 592 C GLN A 32 -7.885 9.335 0.408 1.00 0.00 C ATOM 593 O GLN A 32 -8.859 8.972 1.068 1.00 0.00 O ATOM 594 CB GLN A 32 -6.753 11.494 1.026 1.00 0.00 C ATOM 595 CG GLN A 32 -7.012 12.050 -0.365 1.00 0.00 C ATOM 596 CD GLN A 32 -7.553 13.466 -0.332 1.00 0.00 C ATOM 597 OE1 GLN A 32 -6.841 14.424 -0.631 1.00 0.00 O ATOM 598 NE2 GLN A 32 -8.823 13.604 0.032 1.00 0.00 N ATOM 0 H GLN A 32 -4.915 10.217 -0.026 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.673 9.654 2.133 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -7.546 11.831 1.693 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -5.820 11.912 1.404 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -6.085 12.032 -0.939 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -7.721 11.405 -0.884 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -9.377 12.782 0.272 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -9.244 14.532 0.072 1.00 0.00 H new ATOM 607 N GLN A 33 -7.818 9.206 -0.914 1.00 0.00 N ATOM 608 CA GLN A 33 -8.910 8.622 -1.678 1.00 0.00 C ATOM 609 C GLN A 33 -9.067 7.143 -1.348 1.00 0.00 C ATOM 610 O GLN A 33 -10.158 6.683 -1.014 1.00 0.00 O ATOM 611 CB GLN A 33 -8.666 8.799 -3.177 1.00 0.00 C ATOM 612 CG GLN A 33 -9.048 10.175 -3.697 1.00 0.00 C ATOM 613 CD GLN A 33 -10.472 10.229 -4.213 1.00 0.00 C ATOM 614 OE1 GLN A 33 -11.396 10.596 -3.486 1.00 0.00 O ATOM 615 NE2 GLN A 33 -10.658 9.862 -5.476 1.00 0.00 N ATOM 0 H GLN A 33 -7.019 9.499 -1.476 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.830 9.139 -1.406 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.612 8.619 -3.389 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -9.234 8.044 -3.721 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -8.927 10.907 -2.899 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -8.365 10.459 -4.497 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -9.864 9.565 -6.043 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -11.595 9.878 -5.879 1.00 0.00 H new ATOM 624 N LEU A 34 -7.967 6.403 -1.439 1.00 0.00 N ATOM 625 CA LEU A 34 -7.981 4.975 -1.147 1.00 0.00 C ATOM 626 C LEU A 34 -8.387 4.723 0.302 1.00 0.00 C ATOM 627 O LEU A 34 -9.097 3.763 0.600 1.00 0.00 O ATOM 628 CB LEU A 34 -6.604 4.366 -1.417 1.00 0.00 C ATOM 629 CG LEU A 34 -6.242 4.214 -2.898 1.00 0.00 C ATOM 630 CD1 LEU A 34 -4.823 4.698 -3.157 1.00 0.00 C ATOM 631 CD2 LEU A 34 -6.404 2.767 -3.340 1.00 0.00 C ATOM 0 H LEU A 34 -7.055 6.769 -1.713 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.714 4.501 -1.799 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.848 4.987 -0.936 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.559 3.385 -0.945 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.924 4.831 -3.483 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.586 4.581 -4.215 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.741 5.749 -2.881 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -4.124 4.111 -2.562 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.143 2.677 -4.394 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -5.747 2.130 -2.748 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -7.439 2.456 -3.195 1.00 0.00 H new ATOM 643 N SER A 35 -7.935 5.594 1.197 1.00 0.00 N ATOM 644 CA SER A 35 -8.252 5.471 2.614 1.00 0.00 C ATOM 645 C SER A 35 -9.755 5.562 2.843 1.00 0.00 C ATOM 646 O SER A 35 -10.343 4.725 3.522 1.00 0.00 O ATOM 647 CB SER A 35 -7.535 6.560 3.415 1.00 0.00 C ATOM 648 OG SER A 35 -6.222 6.157 3.764 1.00 0.00 O ATOM 0 H SER A 35 -7.347 6.394 0.965 1.00 0.00 H new ATOM 0 HA SER A 35 -7.909 4.494 2.955 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.493 7.478 2.829 1.00 0.00 H new ATOM 0 HB3 SER A 35 -8.102 6.784 4.319 1.00 0.00 H new ATOM 0 HG SER A 35 -6.225 5.207 4.006 1.00 0.00 H new ATOM 654 N SER A 36 -10.364 6.595 2.276 1.00 0.00 N ATOM 655 CA SER A 36 -11.800 6.815 2.418 1.00 0.00 C ATOM 656 C SER A 36 -12.612 5.763 1.663 1.00 0.00 C ATOM 657 O SER A 36 -13.621 5.267 2.164 1.00 0.00 O ATOM 658 CB SER A 36 -12.175 8.213 1.923 1.00 0.00 C ATOM 659 OG SER A 36 -13.196 8.780 2.725 1.00 0.00 O ATOM 0 H SER A 36 -9.885 7.297 1.711 1.00 0.00 H new ATOM 0 HA SER A 36 -12.040 6.728 3.478 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.295 8.856 1.940 1.00 0.00 H new ATOM 0 HB3 SER A 36 -12.510 8.158 0.887 1.00 0.00 H new ATOM 0 HG SER A 36 -13.417 9.674 2.390 1.00 0.00 H new ATOM 665 N GLU A 37 -12.178 5.443 0.447 1.00 0.00 N ATOM 666 CA GLU A 37 -12.879 4.467 -0.385 1.00 0.00 C ATOM 667 C GLU A 37 -12.827 3.062 0.212 1.00 0.00 C ATOM 668 O GLU A 37 -13.849 2.383 0.308 1.00 0.00 O ATOM 669 CB GLU A 37 -12.286 4.454 -1.797 1.00 0.00 C ATOM 670 CG GLU A 37 -13.186 5.093 -2.841 1.00 0.00 C ATOM 671 CD GLU A 37 -12.734 4.799 -4.257 1.00 0.00 C ATOM 672 OE1 GLU A 37 -12.526 3.610 -4.579 1.00 0.00 O ATOM 673 OE2 GLU A 37 -12.587 5.757 -5.045 1.00 0.00 O ATOM 0 H GLU A 37 -11.345 5.844 0.015 1.00 0.00 H new ATOM 0 HA GLU A 37 -13.925 4.770 -0.429 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -11.330 4.977 -1.785 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -12.082 3.423 -2.087 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -14.206 4.732 -2.707 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -13.207 6.172 -2.687 1.00 0.00 H new ATOM 680 N LEU A 38 -11.633 2.623 0.595 1.00 0.00 N ATOM 681 CA LEU A 38 -11.460 1.290 1.164 1.00 0.00 C ATOM 682 C LEU A 38 -11.733 1.275 2.666 1.00 0.00 C ATOM 683 O LEU A 38 -11.953 0.215 3.253 1.00 0.00 O ATOM 684 CB LEU A 38 -10.046 0.780 0.885 1.00 0.00 C ATOM 685 CG LEU A 38 -9.702 0.611 -0.597 1.00 0.00 C ATOM 686 CD1 LEU A 38 -8.198 0.482 -0.785 1.00 0.00 C ATOM 687 CD2 LEU A 38 -10.420 -0.600 -1.176 1.00 0.00 C ATOM 0 H LEU A 38 -10.774 3.167 0.523 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.186 0.631 0.688 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.331 1.471 1.332 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -9.917 -0.180 1.385 1.00 0.00 H new ATOM 0 HG LEU A 38 -10.039 1.499 -1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -7.973 0.363 -1.845 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.706 1.379 -0.408 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -7.836 -0.388 -0.237 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -10.164 -0.705 -2.230 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.114 -1.497 -0.637 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -11.497 -0.467 -1.076 1.00 0.00 H new ATOM 699 N GLY A 39 -11.721 2.451 3.285 1.00 0.00 N ATOM 700 CA GLY A 39 -11.972 2.539 4.712 1.00 0.00 C ATOM 701 C GLY A 39 -10.742 2.223 5.542 1.00 0.00 C ATOM 702 O GLY A 39 -10.853 1.741 6.669 1.00 0.00 O ATOM 0 H GLY A 39 -11.542 3.344 2.825 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.321 3.543 4.954 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.773 1.850 4.979 1.00 0.00 H new ATOM 706 N LEU A 40 -9.568 2.500 4.985 1.00 0.00 N ATOM 707 CA LEU A 40 -8.312 2.246 5.684 1.00 0.00 C ATOM 708 C LEU A 40 -7.594 3.555 5.995 1.00 0.00 C ATOM 709 O LEU A 40 -7.927 4.603 5.442 1.00 0.00 O ATOM 710 CB LEU A 40 -7.410 1.340 4.843 1.00 0.00 C ATOM 711 CG LEU A 40 -7.846 -0.126 4.780 1.00 0.00 C ATOM 712 CD1 LEU A 40 -7.724 -0.661 3.361 1.00 0.00 C ATOM 713 CD2 LEU A 40 -7.020 -0.970 5.741 1.00 0.00 C ATOM 0 H LEU A 40 -9.459 2.900 4.053 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.540 1.744 6.624 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.368 1.735 3.828 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.398 1.386 5.245 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.892 -0.186 5.080 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -8.039 -1.704 3.337 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.358 -0.075 2.696 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.687 -0.587 3.032 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.344 -2.009 5.683 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.966 -0.902 5.471 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.158 -0.603 6.758 1.00 0.00 H new ATOM 725 N ASN A 41 -6.610 3.489 6.885 1.00 0.00 N ATOM 726 CA ASN A 41 -5.850 4.673 7.269 1.00 0.00 C ATOM 727 C ASN A 41 -4.752 4.973 6.255 1.00 0.00 C ATOM 728 O ASN A 41 -4.107 4.063 5.729 1.00 0.00 O ATOM 729 CB ASN A 41 -5.236 4.490 8.659 1.00 0.00 C ATOM 730 CG ASN A 41 -4.883 5.811 9.313 1.00 0.00 C ATOM 731 OD1 ASN A 41 -4.278 6.683 8.690 1.00 0.00 O ATOM 732 ND2 ASN A 41 -5.256 5.963 10.578 1.00 0.00 N ATOM 0 H ASN A 41 -6.320 2.630 7.353 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.540 5.517 7.292 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.937 3.949 9.295 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.339 3.876 8.579 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -5.043 6.829 11.072 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -5.756 5.213 11.056 1.00 0.00 H new ATOM 739 N GLU A 42 -4.539 6.259 5.990 1.00 0.00 N ATOM 740 CA GLU A 42 -3.512 6.684 5.047 1.00 0.00 C ATOM 741 C GLU A 42 -2.167 6.068 5.411 1.00 0.00 C ATOM 742 O GLU A 42 -1.357 5.749 4.540 1.00 0.00 O ATOM 743 CB GLU A 42 -3.407 8.210 5.036 1.00 0.00 C ATOM 744 CG GLU A 42 -4.670 8.902 4.547 1.00 0.00 C ATOM 745 CD GLU A 42 -4.915 10.229 5.238 1.00 0.00 C ATOM 746 OE1 GLU A 42 -4.515 10.369 6.413 1.00 0.00 O ATOM 747 OE2 GLU A 42 -5.507 11.128 4.604 1.00 0.00 O ATOM 0 H GLU A 42 -5.064 7.023 6.415 1.00 0.00 H new ATOM 0 HA GLU A 42 -3.792 6.342 4.051 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.179 8.558 6.044 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.572 8.504 4.400 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.597 9.065 3.472 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.526 8.247 4.713 1.00 0.00 H new ATOM 754 N ALA A 43 -1.942 5.896 6.711 1.00 0.00 N ATOM 755 CA ALA A 43 -0.703 5.309 7.205 1.00 0.00 C ATOM 756 C ALA A 43 -0.570 3.858 6.753 1.00 0.00 C ATOM 757 O ALA A 43 0.523 3.400 6.413 1.00 0.00 O ATOM 758 CB ALA A 43 -0.649 5.397 8.723 1.00 0.00 C ATOM 0 H ALA A 43 -2.604 6.156 7.442 1.00 0.00 H new ATOM 0 HA ALA A 43 0.132 5.872 6.789 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.281 4.955 9.080 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.695 6.442 9.029 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.494 4.857 9.149 1.00 0.00 H new ATOM 764 N GLN A 44 -1.690 3.140 6.743 1.00 0.00 N ATOM 765 CA GLN A 44 -1.693 1.742 6.330 1.00 0.00 C ATOM 766 C GLN A 44 -1.414 1.631 4.838 1.00 0.00 C ATOM 767 O GLN A 44 -0.643 0.774 4.403 1.00 0.00 O ATOM 768 CB GLN A 44 -3.037 1.082 6.651 1.00 0.00 C ATOM 769 CG GLN A 44 -3.643 1.524 7.973 1.00 0.00 C ATOM 770 CD GLN A 44 -4.155 0.360 8.799 1.00 0.00 C ATOM 771 OE1 GLN A 44 -3.582 -0.730 8.778 1.00 0.00 O ATOM 772 NE2 GLN A 44 -5.240 0.585 9.530 1.00 0.00 N ATOM 0 H GLN A 44 -2.604 3.503 7.015 1.00 0.00 H new ATOM 0 HA GLN A 44 -0.908 1.226 6.883 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -3.740 1.304 5.848 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -2.904 0.000 6.668 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.894 2.070 8.547 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -4.463 2.215 7.779 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -5.682 1.504 9.517 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -5.631 -0.161 10.105 1.00 0.00 H new ATOM 781 N ILE A 45 -2.036 2.507 4.058 1.00 0.00 N ATOM 782 CA ILE A 45 -1.840 2.505 2.616 1.00 0.00 C ATOM 783 C ILE A 45 -0.396 2.849 2.271 1.00 0.00 C ATOM 784 O ILE A 45 0.215 2.213 1.412 1.00 0.00 O ATOM 785 CB ILE A 45 -2.784 3.500 1.914 1.00 0.00 C ATOM 786 CG1 ILE A 45 -4.229 3.263 2.363 1.00 0.00 C ATOM 787 CG2 ILE A 45 -2.663 3.368 0.402 1.00 0.00 C ATOM 788 CD1 ILE A 45 -5.241 4.117 1.632 1.00 0.00 C ATOM 0 H ILE A 45 -2.677 3.224 4.399 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.070 1.501 2.261 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.497 4.514 2.193 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.479 2.212 2.214 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.305 3.461 3.432 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.336 4.077 -0.080 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.637 3.578 0.099 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -2.929 2.354 0.103 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.241 3.894 2.003 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.018 5.170 1.801 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -5.194 3.903 0.564 1.00 0.00 H new ATOM 800 N LYS A 46 0.150 3.854 2.951 1.00 0.00 N ATOM 801 CA LYS A 46 1.529 4.270 2.719 1.00 0.00 C ATOM 802 C LYS A 46 2.487 3.110 2.973 1.00 0.00 C ATOM 803 O LYS A 46 3.389 2.852 2.176 1.00 0.00 O ATOM 804 CB LYS A 46 1.892 5.453 3.620 1.00 0.00 C ATOM 805 CG LYS A 46 3.122 6.216 3.153 1.00 0.00 C ATOM 806 CD LYS A 46 4.408 5.504 3.548 1.00 0.00 C ATOM 807 CE LYS A 46 5.265 6.364 4.464 1.00 0.00 C ATOM 808 NZ LYS A 46 4.582 6.656 5.754 1.00 0.00 N ATOM 0 H LYS A 46 -0.340 4.393 3.665 1.00 0.00 H new ATOM 0 HA LYS A 46 1.620 4.580 1.678 1.00 0.00 H new ATOM 0 HB2 LYS A 46 1.045 6.138 3.666 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.063 5.089 4.633 1.00 0.00 H new ATOM 0 HG2 LYS A 46 3.088 6.333 2.070 1.00 0.00 H new ATOM 0 HG3 LYS A 46 3.114 7.218 3.582 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.166 4.567 4.049 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.974 5.250 2.652 1.00 0.00 H new ATOM 0 HE2 LYS A 46 6.209 5.855 4.660 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.506 7.301 3.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 5.278 7.001 6.445 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 3.853 7.383 5.604 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 4.137 5.788 6.115 1.00 0.00 H new ATOM 822 N ILE A 47 2.280 2.410 4.085 1.00 0.00 N ATOM 823 CA ILE A 47 3.124 1.274 4.436 1.00 0.00 C ATOM 824 C ILE A 47 2.921 0.125 3.454 1.00 0.00 C ATOM 825 O ILE A 47 3.870 -0.575 3.099 1.00 0.00 O ATOM 826 CB ILE A 47 2.833 0.776 5.868 1.00 0.00 C ATOM 827 CG1 ILE A 47 3.011 1.914 6.873 1.00 0.00 C ATOM 828 CG2 ILE A 47 3.740 -0.395 6.224 1.00 0.00 C ATOM 829 CD1 ILE A 47 2.247 1.706 8.164 1.00 0.00 C ATOM 0 H ILE A 47 1.538 2.609 4.756 1.00 0.00 H new ATOM 0 HA ILE A 47 4.158 1.615 4.387 1.00 0.00 H new ATOM 0 HB ILE A 47 1.799 0.433 5.910 1.00 0.00 H new ATOM 0 HG12 ILE A 47 4.071 2.024 7.101 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.685 2.848 6.414 1.00 0.00 H new ATOM 0 HG21 ILE A 47 3.519 -0.731 7.237 1.00 0.00 H new ATOM 0 HG22 ILE A 47 3.569 -1.213 5.525 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.782 -0.079 6.165 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.420 2.552 8.829 1.00 0.00 H new ATOM 0 HD12 ILE A 47 1.182 1.626 7.948 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.589 0.790 8.646 1.00 0.00 H new ATOM 841 N TRP A 48 1.679 -0.063 3.018 1.00 0.00 N ATOM 842 CA TRP A 48 1.355 -1.130 2.078 1.00 0.00 C ATOM 843 C TRP A 48 2.096 -0.940 0.759 1.00 0.00 C ATOM 844 O TRP A 48 2.734 -1.865 0.260 1.00 0.00 O ATOM 845 CB TRP A 48 -0.154 -1.183 1.822 1.00 0.00 C ATOM 846 CG TRP A 48 -0.553 -2.279 0.880 1.00 0.00 C ATOM 847 CD1 TRP A 48 -1.020 -3.517 1.214 1.00 0.00 C ATOM 848 CD2 TRP A 48 -0.514 -2.237 -0.552 1.00 0.00 C ATOM 849 NE1 TRP A 48 -1.274 -4.248 0.079 1.00 0.00 N ATOM 850 CE2 TRP A 48 -0.971 -3.484 -1.018 1.00 0.00 C ATOM 851 CE3 TRP A 48 -0.138 -1.266 -1.485 1.00 0.00 C ATOM 852 CZ2 TRP A 48 -1.061 -3.785 -2.375 1.00 0.00 C ATOM 853 CZ3 TRP A 48 -0.227 -1.566 -2.832 1.00 0.00 C ATOM 854 CH2 TRP A 48 -0.685 -2.816 -3.266 1.00 0.00 C ATOM 0 H TRP A 48 0.882 0.508 3.300 1.00 0.00 H new ATOM 0 HA TRP A 48 1.673 -2.073 2.523 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.673 -1.321 2.771 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.481 -0.226 1.416 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -1.168 -3.871 2.224 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -1.630 -5.204 0.056 1.00 0.00 H new ATOM 0 HE3 TRP A 48 0.216 -0.299 -1.160 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.415 -4.748 -2.712 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 0.062 -0.824 -3.561 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -0.743 -3.020 -4.325 1.00 0.00 H new ATOM 865 N PHE A 49 2.006 0.261 0.198 1.00 0.00 N ATOM 866 CA PHE A 49 2.669 0.561 -1.065 1.00 0.00 C ATOM 867 C PHE A 49 4.183 0.461 -0.913 1.00 0.00 C ATOM 868 O PHE A 49 4.869 -0.078 -1.781 1.00 0.00 O ATOM 869 CB PHE A 49 2.275 1.957 -1.556 1.00 0.00 C ATOM 870 CG PHE A 49 1.230 1.940 -2.637 1.00 0.00 C ATOM 871 CD1 PHE A 49 -0.113 1.801 -2.321 1.00 0.00 C ATOM 872 CD2 PHE A 49 1.590 2.058 -3.970 1.00 0.00 C ATOM 873 CE1 PHE A 49 -1.075 1.780 -3.313 1.00 0.00 C ATOM 874 CE2 PHE A 49 0.633 2.039 -4.966 1.00 0.00 C ATOM 875 CZ PHE A 49 -0.702 1.899 -4.637 1.00 0.00 C ATOM 0 H PHE A 49 1.482 1.040 0.597 1.00 0.00 H new ATOM 0 HA PHE A 49 2.347 -0.172 -1.804 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.904 2.539 -0.712 1.00 0.00 H new ATOM 0 HB3 PHE A 49 3.164 2.467 -1.929 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -0.411 1.708 -1.287 1.00 0.00 H new ATOM 0 HD2 PHE A 49 2.632 2.166 -4.233 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.117 1.671 -3.053 1.00 0.00 H new ATOM 0 HE2 PHE A 49 0.928 2.133 -6.001 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.452 1.883 -5.414 1.00 0.00 H new ATOM 885 N GLN A 50 4.695 0.976 0.199 1.00 0.00 N ATOM 886 CA GLN A 50 6.127 0.935 0.467 1.00 0.00 C ATOM 887 C GLN A 50 6.608 -0.506 0.596 1.00 0.00 C ATOM 888 O GLN A 50 7.658 -0.870 0.064 1.00 0.00 O ATOM 889 CB GLN A 50 6.453 1.712 1.745 1.00 0.00 C ATOM 890 CG GLN A 50 7.863 2.280 1.771 1.00 0.00 C ATOM 891 CD GLN A 50 8.919 1.233 1.479 1.00 0.00 C ATOM 892 OE1 GLN A 50 9.377 1.094 0.346 1.00 0.00 O ATOM 893 NE2 GLN A 50 9.313 0.488 2.507 1.00 0.00 N ATOM 0 H GLN A 50 4.141 1.426 0.928 1.00 0.00 H new ATOM 0 HA GLN A 50 6.644 1.402 -0.371 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.740 2.529 1.855 1.00 0.00 H new ATOM 0 HB3 GLN A 50 6.320 1.054 2.604 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.941 3.083 1.038 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.055 2.721 2.749 1.00 0.00 H new ATOM 0 HE21 GLN A 50 8.906 0.637 3.430 1.00 0.00 H new ATOM 0 HE22 GLN A 50 10.022 -0.233 2.372 1.00 0.00 H new ATOM 902 N ASN A 51 5.833 -1.323 1.302 1.00 0.00 N ATOM 903 CA ASN A 51 6.180 -2.726 1.495 1.00 0.00 C ATOM 904 C ASN A 51 6.001 -3.508 0.199 1.00 0.00 C ATOM 905 O ASN A 51 6.756 -4.438 -0.086 1.00 0.00 O ATOM 906 CB ASN A 51 5.320 -3.340 2.603 1.00 0.00 C ATOM 907 CG ASN A 51 6.085 -3.510 3.900 1.00 0.00 C ATOM 908 OD1 ASN A 51 6.198 -4.618 4.426 1.00 0.00 O ATOM 909 ND2 ASN A 51 6.613 -2.411 4.425 1.00 0.00 N ATOM 0 H ASN A 51 4.962 -1.038 1.749 1.00 0.00 H new ATOM 0 HA ASN A 51 7.228 -2.781 1.791 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.450 -2.706 2.778 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.947 -4.310 2.274 1.00 0.00 H new ATOM 0 HD21 ASN A 51 7.137 -2.464 5.298 1.00 0.00 H new ATOM 0 HD22 ASN A 51 6.495 -1.514 3.955 1.00 0.00 H new ATOM 916 N LYS A 52 4.999 -3.122 -0.585 1.00 0.00 N ATOM 917 CA LYS A 52 4.725 -3.784 -1.854 1.00 0.00 C ATOM 918 C LYS A 52 5.863 -3.548 -2.841 1.00 0.00 C ATOM 919 O LYS A 52 6.254 -4.451 -3.578 1.00 0.00 O ATOM 920 CB LYS A 52 3.407 -3.278 -2.447 1.00 0.00 C ATOM 921 CG LYS A 52 2.618 -4.351 -3.179 1.00 0.00 C ATOM 922 CD LYS A 52 1.877 -5.257 -2.209 1.00 0.00 C ATOM 923 CE LYS A 52 1.062 -6.310 -2.943 1.00 0.00 C ATOM 924 NZ LYS A 52 0.621 -7.403 -2.033 1.00 0.00 N ATOM 0 H LYS A 52 4.364 -2.355 -0.363 1.00 0.00 H new ATOM 0 HA LYS A 52 4.641 -4.855 -1.667 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.791 -2.869 -1.646 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.618 -2.460 -3.136 1.00 0.00 H new ATOM 0 HG2 LYS A 52 1.905 -3.881 -3.857 1.00 0.00 H new ATOM 0 HG3 LYS A 52 3.294 -4.947 -3.791 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.592 -5.745 -1.547 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.218 -4.658 -1.581 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.189 -5.842 -3.398 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.657 -6.730 -3.754 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.068 -8.101 -2.571 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 1.454 -7.867 -1.618 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 0.032 -7.006 -1.274 1.00 0.00 H new ATOM 938 N ARG A 53 6.388 -2.325 -2.849 1.00 0.00 N ATOM 939 CA ARG A 53 7.480 -1.967 -3.746 1.00 0.00 C ATOM 940 C ARG A 53 8.737 -2.773 -3.432 1.00 0.00 C ATOM 941 O ARG A 53 9.480 -3.160 -4.334 1.00 0.00 O ATOM 942 CB ARG A 53 7.781 -0.470 -3.641 1.00 0.00 C ATOM 943 CG ARG A 53 7.200 0.348 -4.783 1.00 0.00 C ATOM 944 CD ARG A 53 8.203 1.361 -5.312 1.00 0.00 C ATOM 945 NE ARG A 53 8.592 2.332 -4.290 1.00 0.00 N ATOM 946 CZ ARG A 53 9.819 2.428 -3.774 1.00 0.00 C ATOM 947 NH1 ARG A 53 10.789 1.614 -4.173 1.00 0.00 N ATOM 948 NH2 ARG A 53 10.074 3.345 -2.851 1.00 0.00 N ATOM 0 H ARG A 53 6.074 -1.566 -2.244 1.00 0.00 H new ATOM 0 HA ARG A 53 7.169 -2.201 -4.764 1.00 0.00 H new ATOM 0 HB2 ARG A 53 7.386 -0.094 -2.697 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.861 -0.326 -3.614 1.00 0.00 H new ATOM 0 HG2 ARG A 53 6.895 -0.318 -5.590 1.00 0.00 H new ATOM 0 HG3 ARG A 53 6.304 0.866 -4.441 1.00 0.00 H new ATOM 0 HD2 ARG A 53 9.090 0.839 -5.672 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.773 1.885 -6.165 1.00 0.00 H new ATOM 0 HE ARG A 53 7.879 2.978 -3.950 1.00 0.00 H new ATOM 0 HH11 ARG A 53 10.601 0.905 -4.882 1.00 0.00 H new ATOM 0 HH12 ARG A 53 11.723 1.698 -3.771 1.00 0.00 H new ATOM 0 HH21 ARG A 53 9.334 3.973 -2.538 1.00 0.00 H new ATOM 0 HH22 ARG A 53 11.010 3.422 -2.454 1.00 0.00 H new