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 Set 1.1: A 17 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.758) USER MOD Set 1.2: A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 180:sc= 0.328 USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 12 GLN : amide:sc= -0.0602 K(o=-0.06,f=-1.9) USER MOD Single : A 21 ASN : amide:sc= -0.129 X(o=-0.13,f=-0.01) USER MOD Single : A 23 ASN : amide:sc= -0.581 X(o=-0.58,f=-1.1) USER MOD Single : A 25 TYR OH : rot 180:sc=-0.00412 USER MOD Single : A 27 THR OG1 : rot 180:sc= 0.24 USER MOD Single : A 32 GLN : amide:sc= -0.233 X(o=-0.23,f=-0.055) USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot -70:sc= -2.47 USER MOD Single : A 36 SER OG : rot 82:sc= 0.215 USER MOD Single : A 41 ASN : amide:sc= -0.126 K(o=-0.13,f=-0.82) USER MOD Single : A 44 GLN : amide:sc= -2.78 K(o=-2.8,f=-4.4!) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc= -0.0719 X(o=-0.072,f=0) USER MOD Single : A 51 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 175 N SER A 9 -8.489 -6.956 3.476 1.00 0.00 N ATOM 176 CA SER A 9 -9.473 -7.852 2.879 1.00 0.00 C ATOM 177 C SER A 9 -9.170 -8.088 1.403 1.00 0.00 C ATOM 178 O SER A 9 -8.466 -7.301 0.771 1.00 0.00 O ATOM 179 CB SER A 9 -10.879 -7.268 3.028 1.00 0.00 C ATOM 180 OG SER A 9 -11.141 -6.306 2.021 1.00 0.00 O ATOM 0 HA SER A 9 -9.421 -8.807 3.402 1.00 0.00 H new ATOM 0 HB2 SER A 9 -11.617 -8.069 2.971 1.00 0.00 H new ATOM 0 HB3 SER A 9 -10.983 -6.808 4.011 1.00 0.00 H new ATOM 0 HG SER A 9 -12.046 -5.949 2.137 1.00 0.00 H new ATOM 186 N SER A 10 -9.711 -9.173 0.858 1.00 0.00 N ATOM 187 CA SER A 10 -9.503 -9.506 -0.548 1.00 0.00 C ATOM 188 C SER A 10 -9.876 -8.329 -1.443 1.00 0.00 C ATOM 189 O SER A 10 -9.140 -7.978 -2.364 1.00 0.00 O ATOM 190 CB SER A 10 -10.328 -10.737 -0.932 1.00 0.00 C ATOM 191 OG SER A 10 -10.390 -10.889 -2.339 1.00 0.00 O ATOM 0 H SER A 10 -10.296 -9.836 1.367 1.00 0.00 H new ATOM 0 HA SER A 10 -8.446 -9.730 -0.691 1.00 0.00 H new ATOM 0 HB2 SER A 10 -9.887 -11.628 -0.486 1.00 0.00 H new ATOM 0 HB3 SER A 10 -11.336 -10.644 -0.528 1.00 0.00 H new ATOM 0 HG SER A 10 -10.921 -11.683 -2.559 1.00 0.00 H new ATOM 197 N GLU A 11 -11.026 -7.721 -1.161 1.00 0.00 N ATOM 198 CA GLU A 11 -11.500 -6.578 -1.935 1.00 0.00 C ATOM 199 C GLU A 11 -10.554 -5.392 -1.783 1.00 0.00 C ATOM 200 O GLU A 11 -10.301 -4.657 -2.740 1.00 0.00 O ATOM 201 CB GLU A 11 -12.911 -6.185 -1.490 1.00 0.00 C ATOM 202 CG GLU A 11 -14.000 -6.628 -2.454 1.00 0.00 C ATOM 203 CD GLU A 11 -14.143 -5.692 -3.639 1.00 0.00 C ATOM 204 OE1 GLU A 11 -14.200 -4.463 -3.422 1.00 0.00 O ATOM 205 OE2 GLU A 11 -14.199 -6.189 -4.784 1.00 0.00 O ATOM 0 H GLU A 11 -11.647 -8.002 -0.402 1.00 0.00 H new ATOM 0 HA GLU A 11 -11.527 -6.865 -2.986 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -13.107 -6.619 -0.509 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -12.958 -5.102 -1.375 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -13.776 -7.632 -2.813 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -14.950 -6.684 -1.923 1.00 0.00 H new ATOM 212 N GLN A 12 -10.030 -5.210 -0.574 1.00 0.00 N ATOM 213 CA GLN A 12 -9.112 -4.112 -0.301 1.00 0.00 C ATOM 214 C GLN A 12 -7.807 -4.310 -1.060 1.00 0.00 C ATOM 215 O GLN A 12 -7.348 -3.414 -1.769 1.00 0.00 O ATOM 216 CB GLN A 12 -8.832 -4.011 1.199 1.00 0.00 C ATOM 217 CG GLN A 12 -9.935 -3.315 1.977 1.00 0.00 C ATOM 218 CD GLN A 12 -9.774 -3.466 3.477 1.00 0.00 C ATOM 219 OE1 GLN A 12 -8.856 -4.135 3.951 1.00 0.00 O ATOM 220 NE2 GLN A 12 -10.670 -2.842 4.233 1.00 0.00 N ATOM 0 H GLN A 12 -10.226 -5.808 0.229 1.00 0.00 H new ATOM 0 HA GLN A 12 -9.577 -3.185 -0.636 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -8.691 -5.014 1.602 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -7.896 -3.472 1.350 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -9.943 -2.256 1.721 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -10.900 -3.723 1.676 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -11.415 -2.298 3.797 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -10.613 -2.907 5.249 1.00 0.00 H new ATOM 229 N LEU A 13 -7.219 -5.493 -0.919 1.00 0.00 N ATOM 230 CA LEU A 13 -5.973 -5.806 -1.605 1.00 0.00 C ATOM 231 C LEU A 13 -6.174 -5.756 -3.112 1.00 0.00 C ATOM 232 O LEU A 13 -5.269 -5.388 -3.856 1.00 0.00 O ATOM 233 CB LEU A 13 -5.466 -7.190 -1.196 1.00 0.00 C ATOM 234 CG LEU A 13 -4.823 -7.291 0.196 1.00 0.00 C ATOM 235 CD1 LEU A 13 -3.805 -8.418 0.222 1.00 0.00 C ATOM 236 CD2 LEU A 13 -4.164 -5.979 0.600 1.00 0.00 C ATOM 0 H LEU A 13 -7.584 -6.248 -0.338 1.00 0.00 H new ATOM 0 HA LEU A 13 -5.230 -5.062 -1.319 1.00 0.00 H new ATOM 0 HB2 LEU A 13 -6.302 -7.888 -1.239 1.00 0.00 H new ATOM 0 HB3 LEU A 13 -4.737 -7.520 -1.936 1.00 0.00 H new ATOM 0 HG LEU A 13 -5.613 -7.505 0.916 1.00 0.00 H new ATOM 0 HD11 LEU A 13 -3.356 -8.480 1.213 1.00 0.00 H new ATOM 0 HD12 LEU A 13 -4.300 -9.361 -0.012 1.00 0.00 H new ATOM 0 HD13 LEU A 13 -3.028 -8.223 -0.517 1.00 0.00 H new ATOM 0 HD21 LEU A 13 -3.719 -6.085 1.589 1.00 0.00 H new ATOM 0 HD22 LEU A 13 -3.388 -5.724 -0.122 1.00 0.00 H new ATOM 0 HD23 LEU A 13 -4.913 -5.187 0.622 1.00 0.00 H new ATOM 248 N ALA A 14 -7.371 -6.126 -3.556 1.00 0.00 N ATOM 249 CA ALA A 14 -7.692 -6.116 -4.977 1.00 0.00 C ATOM 250 C ALA A 14 -7.611 -4.700 -5.533 1.00 0.00 C ATOM 251 O ALA A 14 -6.988 -4.462 -6.568 1.00 0.00 O ATOM 252 CB ALA A 14 -9.076 -6.702 -5.216 1.00 0.00 C ATOM 0 H ALA A 14 -8.133 -6.436 -2.953 1.00 0.00 H new ATOM 0 HA ALA A 14 -6.961 -6.734 -5.498 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -9.298 -6.686 -6.283 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -9.103 -7.730 -4.855 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -9.819 -6.110 -4.682 1.00 0.00 H new ATOM 258 N ARG A 15 -8.242 -3.762 -4.834 1.00 0.00 N ATOM 259 CA ARG A 15 -8.236 -2.365 -5.256 1.00 0.00 C ATOM 260 C ARG A 15 -6.823 -1.790 -5.195 1.00 0.00 C ATOM 261 O ARG A 15 -6.350 -1.174 -6.152 1.00 0.00 O ATOM 262 CB ARG A 15 -9.179 -1.540 -4.376 1.00 0.00 C ATOM 263 CG ARG A 15 -10.416 -1.045 -5.110 1.00 0.00 C ATOM 264 CD ARG A 15 -11.689 -1.629 -4.517 1.00 0.00 C ATOM 265 NE ARG A 15 -12.890 -1.039 -5.107 1.00 0.00 N ATOM 266 CZ ARG A 15 -13.399 0.135 -4.736 1.00 0.00 C ATOM 267 NH1 ARG A 15 -12.815 0.848 -3.781 1.00 0.00 N ATOM 268 NH2 ARG A 15 -14.495 0.595 -5.323 1.00 0.00 N ATOM 0 H ARG A 15 -8.762 -3.942 -3.976 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.585 -2.317 -6.288 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -9.489 -2.144 -3.524 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.635 -0.683 -3.978 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -10.457 0.043 -5.062 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -10.347 -1.315 -6.164 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -11.700 -2.708 -4.674 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -11.696 -1.464 -3.440 1.00 0.00 H new ATOM 0 HE ARG A 15 -13.366 -1.557 -5.846 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.972 0.498 -3.327 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -13.210 1.746 -3.501 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -14.947 0.050 -6.057 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -14.886 1.494 -5.040 1.00 0.00 H new ATOM 282 N LEU A 16 -6.155 -1.999 -4.065 1.00 0.00 N ATOM 283 CA LEU A 16 -4.796 -1.505 -3.877 1.00 0.00 C ATOM 284 C LEU A 16 -3.849 -2.118 -4.904 1.00 0.00 C ATOM 285 O LEU A 16 -2.989 -1.431 -5.457 1.00 0.00 O ATOM 286 CB LEU A 16 -4.310 -1.824 -2.462 1.00 0.00 C ATOM 287 CG LEU A 16 -4.868 -0.911 -1.367 1.00 0.00 C ATOM 288 CD1 LEU A 16 -5.399 -1.732 -0.200 1.00 0.00 C ATOM 289 CD2 LEU A 16 -3.802 0.065 -0.891 1.00 0.00 C ATOM 0 H LEU A 16 -6.533 -2.507 -3.266 1.00 0.00 H new ATOM 0 HA LEU A 16 -4.803 -0.424 -4.017 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -4.576 -2.854 -2.226 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -3.222 -1.764 -2.445 1.00 0.00 H new ATOM 0 HG LEU A 16 -5.696 -0.340 -1.788 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -5.791 -1.064 0.567 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -6.195 -2.389 -0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -4.592 -2.332 0.220 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -4.217 0.706 -0.113 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -2.954 -0.490 -0.490 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -3.471 0.679 -1.728 1.00 0.00 H new ATOM 301 N LYS A 17 -4.016 -3.412 -5.156 1.00 0.00 N ATOM 302 CA LYS A 17 -3.179 -4.119 -6.118 1.00 0.00 C ATOM 303 C LYS A 17 -3.369 -3.544 -7.517 1.00 0.00 C ATOM 304 O LYS A 17 -2.403 -3.329 -8.249 1.00 0.00 O ATOM 305 CB LYS A 17 -3.511 -5.611 -6.117 1.00 0.00 C ATOM 306 CG LYS A 17 -2.748 -6.405 -5.070 1.00 0.00 C ATOM 307 CD LYS A 17 -2.407 -7.801 -5.568 1.00 0.00 C ATOM 308 CE LYS A 17 -1.603 -8.578 -4.537 1.00 0.00 C ATOM 309 NZ LYS A 17 -0.156 -8.229 -4.578 1.00 0.00 N ATOM 0 H LYS A 17 -4.724 -3.993 -4.707 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.137 -3.989 -5.825 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.580 -5.736 -5.947 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -3.294 -6.023 -7.102 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.831 -5.877 -4.808 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.345 -6.478 -4.161 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -3.325 -8.341 -5.798 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -1.839 -7.729 -6.496 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -1.997 -8.374 -3.541 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -1.723 -9.647 -4.714 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 0.412 -9.100 -4.554 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 0.050 -7.705 -5.453 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 0.082 -7.638 -3.756 1.00 0.00 H new ATOM 323 N ARG A 18 -4.623 -3.293 -7.879 1.00 0.00 N ATOM 324 CA ARG A 18 -4.943 -2.738 -9.188 1.00 0.00 C ATOM 325 C ARG A 18 -4.279 -1.377 -9.369 1.00 0.00 C ATOM 326 O ARG A 18 -3.748 -1.072 -10.436 1.00 0.00 O ATOM 327 CB ARG A 18 -6.458 -2.608 -9.353 1.00 0.00 C ATOM 328 CG ARG A 18 -6.921 -2.706 -10.798 1.00 0.00 C ATOM 329 CD ARG A 18 -6.434 -1.525 -11.622 1.00 0.00 C ATOM 330 NE ARG A 18 -5.326 -1.890 -12.500 1.00 0.00 N ATOM 331 CZ ARG A 18 -5.480 -2.476 -13.685 1.00 0.00 C ATOM 332 NH1 ARG A 18 -6.694 -2.770 -14.136 1.00 0.00 N ATOM 333 NH2 ARG A 18 -4.417 -2.771 -14.421 1.00 0.00 N ATOM 0 H ARG A 18 -5.433 -3.465 -7.284 1.00 0.00 H new ATOM 0 HA ARG A 18 -4.562 -3.416 -9.951 1.00 0.00 H new ATOM 0 HB2 ARG A 18 -6.947 -3.388 -8.769 1.00 0.00 H new ATOM 0 HB3 ARG A 18 -6.780 -1.652 -8.941 1.00 0.00 H new ATOM 0 HG2 ARG A 18 -6.553 -3.633 -11.237 1.00 0.00 H new ATOM 0 HG3 ARG A 18 -8.010 -2.749 -10.830 1.00 0.00 H new ATOM 0 HD2 ARG A 18 -7.258 -1.136 -12.221 1.00 0.00 H new ATOM 0 HD3 ARG A 18 -6.119 -0.723 -10.955 1.00 0.00 H new ATOM 0 HE ARG A 18 -4.378 -1.684 -12.187 1.00 0.00 H new ATOM 0 HH11 ARG A 18 -7.515 -2.547 -13.573 1.00 0.00 H new ATOM 0 HH12 ARG A 18 -6.805 -3.219 -15.045 1.00 0.00 H new ATOM 0 HH21 ARG A 18 -3.482 -2.549 -14.079 1.00 0.00 H new ATOM 0 HH22 ARG A 18 -4.534 -3.220 -15.329 1.00 0.00 H new ATOM 347 N GLU A 19 -4.310 -0.567 -8.316 1.00 0.00 N ATOM 348 CA GLU A 19 -3.705 0.760 -8.358 1.00 0.00 C ATOM 349 C GLU A 19 -2.188 0.656 -8.470 1.00 0.00 C ATOM 350 O GLU A 19 -1.559 1.400 -9.225 1.00 0.00 O ATOM 351 CB GLU A 19 -4.086 1.558 -7.109 1.00 0.00 C ATOM 352 CG GLU A 19 -4.442 3.007 -7.399 1.00 0.00 C ATOM 353 CD GLU A 19 -5.933 3.270 -7.311 1.00 0.00 C ATOM 354 OE1 GLU A 19 -6.511 3.052 -6.224 1.00 0.00 O ATOM 355 OE2 GLU A 19 -6.523 3.693 -8.327 1.00 0.00 O ATOM 0 H GLU A 19 -4.746 -0.805 -7.425 1.00 0.00 H new ATOM 0 HA GLU A 19 -4.083 1.280 -9.238 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -4.934 1.074 -6.623 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -3.256 1.531 -6.403 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -3.920 3.654 -6.693 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -4.088 3.272 -8.395 1.00 0.00 H new ATOM 362 N PHE A 20 -1.606 -0.273 -7.719 1.00 0.00 N ATOM 363 CA PHE A 20 -0.162 -0.477 -7.739 1.00 0.00 C ATOM 364 C PHE A 20 0.294 -0.950 -9.115 1.00 0.00 C ATOM 365 O PHE A 20 1.381 -0.601 -9.574 1.00 0.00 O ATOM 366 CB PHE A 20 0.248 -1.494 -6.672 1.00 0.00 C ATOM 367 CG PHE A 20 1.734 -1.697 -6.576 1.00 0.00 C ATOM 368 CD1 PHE A 20 2.384 -2.569 -7.433 1.00 0.00 C ATOM 369 CD2 PHE A 20 2.479 -1.016 -5.626 1.00 0.00 C ATOM 370 CE1 PHE A 20 3.751 -2.758 -7.347 1.00 0.00 C ATOM 371 CE2 PHE A 20 3.846 -1.200 -5.536 1.00 0.00 C ATOM 372 CZ PHE A 20 4.482 -2.073 -6.397 1.00 0.00 C ATOM 0 H PHE A 20 -2.112 -0.896 -7.089 1.00 0.00 H new ATOM 0 HA PHE A 20 0.321 0.476 -7.521 1.00 0.00 H new ATOM 0 HB2 PHE A 20 -0.129 -1.165 -5.704 1.00 0.00 H new ATOM 0 HB3 PHE A 20 -0.228 -2.450 -6.891 1.00 0.00 H new ATOM 0 HD1 PHE A 20 1.817 -3.108 -8.177 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.986 -0.334 -4.949 1.00 0.00 H new ATOM 0 HE1 PHE A 20 4.246 -3.440 -8.022 1.00 0.00 H new ATOM 0 HE2 PHE A 20 4.416 -0.662 -4.793 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.550 -2.220 -6.327 1.00 0.00 H new ATOM 382 N ASN A 21 -0.547 -1.744 -9.769 1.00 0.00 N ATOM 383 CA ASN A 21 -0.234 -2.262 -11.096 1.00 0.00 C ATOM 384 C ASN A 21 -0.110 -1.122 -12.101 1.00 0.00 C ATOM 385 O ASN A 21 0.678 -1.194 -13.045 1.00 0.00 O ATOM 386 CB ASN A 21 -1.314 -3.249 -11.550 1.00 0.00 C ATOM 387 CG ASN A 21 -0.774 -4.656 -11.718 1.00 0.00 C ATOM 388 OD1 ASN A 21 -1.318 -5.612 -11.164 1.00 0.00 O ATOM 389 ND2 ASN A 21 0.301 -4.790 -12.485 1.00 0.00 N ATOM 0 H ASN A 21 -1.451 -2.043 -9.402 1.00 0.00 H new ATOM 0 HA ASN A 21 0.721 -2.784 -11.044 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -2.124 -3.258 -10.821 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -1.739 -2.910 -12.495 1.00 0.00 H new ATOM 0 HD21 ASN A 21 0.709 -5.713 -12.635 1.00 0.00 H new ATOM 0 HD22 ASN A 21 0.719 -3.970 -12.925 1.00 0.00 H new ATOM 396 N GLU A 22 -0.888 -0.066 -11.885 1.00 0.00 N ATOM 397 CA GLU A 22 -0.864 1.097 -12.763 1.00 0.00 C ATOM 398 C GLU A 22 0.279 2.030 -12.382 1.00 0.00 C ATOM 399 O GLU A 22 0.889 2.668 -13.240 1.00 0.00 O ATOM 400 CB GLU A 22 -2.195 1.848 -12.688 1.00 0.00 C ATOM 401 CG GLU A 22 -3.365 1.079 -13.279 1.00 0.00 C ATOM 402 CD GLU A 22 -4.705 1.672 -12.890 1.00 0.00 C ATOM 403 OE1 GLU A 22 -5.059 2.742 -13.428 1.00 0.00 O ATOM 404 OE2 GLU A 22 -5.401 1.067 -12.048 1.00 0.00 O ATOM 0 H GLU A 22 -1.544 0.007 -11.107 1.00 0.00 H new ATOM 0 HA GLU A 22 -0.710 0.751 -13.785 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -2.413 2.079 -11.645 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -2.095 2.799 -13.211 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -3.277 1.069 -14.365 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -3.320 0.042 -12.946 1.00 0.00 H new ATOM 411 N ASN A 23 0.563 2.101 -11.086 1.00 0.00 N ATOM 412 CA ASN A 23 1.632 2.949 -10.579 1.00 0.00 C ATOM 413 C ASN A 23 2.028 2.536 -9.166 1.00 0.00 C ATOM 414 O ASN A 23 1.225 2.615 -8.236 1.00 0.00 O ATOM 415 CB ASN A 23 1.202 4.418 -10.597 1.00 0.00 C ATOM 416 CG ASN A 23 2.271 5.326 -11.171 1.00 0.00 C ATOM 417 OD1 ASN A 23 2.954 4.969 -12.132 1.00 0.00 O ATOM 418 ND2 ASN A 23 2.425 6.506 -10.584 1.00 0.00 N ATOM 0 H ASN A 23 0.064 1.578 -10.366 1.00 0.00 H new ATOM 0 HA ASN A 23 2.498 2.827 -11.229 1.00 0.00 H new ATOM 0 HB2 ASN A 23 0.289 4.519 -11.184 1.00 0.00 H new ATOM 0 HB3 ASN A 23 0.965 4.737 -9.582 1.00 0.00 H new ATOM 0 HD21 ASN A 23 3.131 7.158 -10.926 1.00 0.00 H new ATOM 0 HD22 ASN A 23 1.837 6.761 -9.790 1.00 0.00 H new ATOM 425 N ARG A 24 3.272 2.094 -9.014 1.00 0.00 N ATOM 426 CA ARG A 24 3.785 1.664 -7.716 1.00 0.00 C ATOM 427 C ARG A 24 4.042 2.851 -6.783 1.00 0.00 C ATOM 428 O ARG A 24 4.530 2.674 -5.666 1.00 0.00 O ATOM 429 CB ARG A 24 5.068 0.844 -7.890 1.00 0.00 C ATOM 430 CG ARG A 24 6.108 1.496 -8.790 1.00 0.00 C ATOM 431 CD ARG A 24 7.216 0.518 -9.150 1.00 0.00 C ATOM 432 NE ARG A 24 8.355 1.184 -9.775 1.00 0.00 N ATOM 433 CZ ARG A 24 8.340 1.676 -11.011 1.00 0.00 C ATOM 434 NH1 ARG A 24 7.246 1.585 -11.757 1.00 0.00 N ATOM 435 NH2 ARG A 24 9.423 2.262 -11.504 1.00 0.00 N ATOM 0 H ARG A 24 3.946 2.024 -9.776 1.00 0.00 H new ATOM 0 HA ARG A 24 3.020 1.039 -7.256 1.00 0.00 H new ATOM 0 HB2 ARG A 24 5.510 0.670 -6.909 1.00 0.00 H new ATOM 0 HB3 ARG A 24 4.809 -0.132 -8.301 1.00 0.00 H new ATOM 0 HG2 ARG A 24 5.629 1.858 -9.700 1.00 0.00 H new ATOM 0 HG3 ARG A 24 6.535 2.364 -8.287 1.00 0.00 H new ATOM 0 HD2 ARG A 24 7.548 0.000 -8.250 1.00 0.00 H new ATOM 0 HD3 ARG A 24 6.824 -0.240 -9.828 1.00 0.00 H new ATOM 0 HE ARG A 24 9.213 1.278 -9.232 1.00 0.00 H new ATOM 0 HH11 ARG A 24 6.410 1.136 -11.383 1.00 0.00 H new ATOM 0 HH12 ARG A 24 7.241 1.964 -12.704 1.00 0.00 H new ATOM 0 HH21 ARG A 24 10.267 2.335 -10.936 1.00 0.00 H new ATOM 0 HH22 ARG A 24 9.412 2.639 -12.452 1.00 0.00 H new ATOM 449 N TYR A 25 3.708 4.057 -7.237 1.00 0.00 N ATOM 450 CA TYR A 25 3.899 5.259 -6.435 1.00 0.00 C ATOM 451 C TYR A 25 2.599 5.642 -5.740 1.00 0.00 C ATOM 452 O TYR A 25 1.545 5.074 -6.023 1.00 0.00 O ATOM 453 CB TYR A 25 4.381 6.416 -7.314 1.00 0.00 C ATOM 454 CG TYR A 25 5.480 6.034 -8.281 1.00 0.00 C ATOM 455 CD1 TYR A 25 5.200 5.299 -9.426 1.00 0.00 C ATOM 456 CD2 TYR A 25 6.798 6.410 -8.049 1.00 0.00 C ATOM 457 CE1 TYR A 25 6.201 4.948 -10.313 1.00 0.00 C ATOM 458 CE2 TYR A 25 7.804 6.063 -8.931 1.00 0.00 C ATOM 459 CZ TYR A 25 7.501 5.332 -10.061 1.00 0.00 C ATOM 460 OH TYR A 25 8.500 4.984 -10.940 1.00 0.00 O ATOM 0 H TYR A 25 3.303 4.226 -8.158 1.00 0.00 H new ATOM 0 HA TYR A 25 4.657 5.052 -5.679 1.00 0.00 H new ATOM 0 HB2 TYR A 25 3.535 6.808 -7.878 1.00 0.00 H new ATOM 0 HB3 TYR A 25 4.738 7.222 -6.673 1.00 0.00 H new ATOM 0 HD1 TYR A 25 4.183 4.996 -9.627 1.00 0.00 H new ATOM 0 HD2 TYR A 25 7.040 6.982 -7.166 1.00 0.00 H new ATOM 0 HE1 TYR A 25 5.966 4.376 -11.198 1.00 0.00 H new ATOM 0 HE2 TYR A 25 8.823 6.363 -8.736 1.00 0.00 H new ATOM 0 HH TYR A 25 9.357 5.333 -10.616 1.00 0.00 H new ATOM 470 N LEU A 26 2.676 6.607 -4.828 1.00 0.00 N ATOM 471 CA LEU A 26 1.492 7.052 -4.103 1.00 0.00 C ATOM 472 C LEU A 26 1.587 8.528 -3.737 1.00 0.00 C ATOM 473 O LEU A 26 2.511 8.950 -3.043 1.00 0.00 O ATOM 474 CB LEU A 26 1.299 6.220 -2.828 1.00 0.00 C ATOM 475 CG LEU A 26 0.275 5.075 -2.900 1.00 0.00 C ATOM 476 CD1 LEU A 26 -0.352 4.855 -1.533 1.00 0.00 C ATOM 477 CD2 LEU A 26 -0.820 5.352 -3.919 1.00 0.00 C ATOM 0 H LEU A 26 3.537 7.091 -4.576 1.00 0.00 H new ATOM 0 HA LEU A 26 0.634 6.913 -4.761 1.00 0.00 H new ATOM 0 HB2 LEU A 26 2.264 5.797 -2.548 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.001 6.893 -2.024 1.00 0.00 H new ATOM 0 HG LEU A 26 0.809 4.179 -3.217 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -1.076 4.043 -1.591 1.00 0.00 H new ATOM 0 HD12 LEU A 26 0.425 4.597 -0.813 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -0.855 5.767 -1.212 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -1.521 4.517 -3.936 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.349 6.265 -3.645 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.376 5.473 -4.907 1.00 0.00 H new ATOM 489 N THR A 27 0.612 9.301 -4.195 1.00 0.00 N ATOM 490 CA THR A 27 0.564 10.726 -3.904 1.00 0.00 C ATOM 491 C THR A 27 -0.292 10.977 -2.670 1.00 0.00 C ATOM 492 O THR A 27 -1.037 10.099 -2.237 1.00 0.00 O ATOM 493 CB THR A 27 -0.013 11.496 -5.094 1.00 0.00 C ATOM 494 OG1 THR A 27 -1.427 11.380 -5.123 1.00 0.00 O ATOM 495 CG2 THR A 27 0.517 11.023 -6.430 1.00 0.00 C ATOM 0 H THR A 27 -0.159 8.963 -4.772 1.00 0.00 H new ATOM 0 HA THR A 27 1.580 11.075 -3.717 1.00 0.00 H new ATOM 0 HB THR A 27 0.297 12.531 -4.949 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.781 11.879 -5.889 1.00 0.00 H new ATOM 0 HG21 THR A 27 0.067 11.612 -7.229 1.00 0.00 H new ATOM 0 HG22 THR A 27 1.600 11.145 -6.456 1.00 0.00 H new ATOM 0 HG23 THR A 27 0.267 9.971 -6.569 1.00 0.00 H new ATOM 503 N GLU A 28 -0.195 12.179 -2.111 1.00 0.00 N ATOM 504 CA GLU A 28 -0.983 12.525 -0.935 1.00 0.00 C ATOM 505 C GLU A 28 -2.465 12.296 -1.212 1.00 0.00 C ATOM 506 O GLU A 28 -3.160 11.628 -0.445 1.00 0.00 O ATOM 507 CB GLU A 28 -0.743 13.984 -0.540 1.00 0.00 C ATOM 508 CG GLU A 28 0.464 14.180 0.364 1.00 0.00 C ATOM 509 CD GLU A 28 0.908 15.628 0.438 1.00 0.00 C ATOM 510 OE1 GLU A 28 0.290 16.400 1.201 1.00 0.00 O ATOM 511 OE2 GLU A 28 1.872 15.990 -0.268 1.00 0.00 O ATOM 0 H GLU A 28 0.415 12.923 -2.450 1.00 0.00 H new ATOM 0 HA GLU A 28 -0.673 11.885 -0.109 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -0.610 14.579 -1.444 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -1.630 14.365 -0.035 1.00 0.00 H new ATOM 0 HG2 GLU A 28 0.224 13.826 1.366 1.00 0.00 H new ATOM 0 HG3 GLU A 28 1.290 13.569 -0.001 1.00 0.00 H new ATOM 518 N ARG A 29 -2.935 12.850 -2.325 1.00 0.00 N ATOM 519 CA ARG A 29 -4.328 12.708 -2.728 1.00 0.00 C ATOM 520 C ARG A 29 -4.702 11.241 -2.922 1.00 0.00 C ATOM 521 O ARG A 29 -5.825 10.835 -2.623 1.00 0.00 O ATOM 522 CB ARG A 29 -4.587 13.483 -4.021 1.00 0.00 C ATOM 523 CG ARG A 29 -4.120 14.928 -3.969 1.00 0.00 C ATOM 524 CD ARG A 29 -4.759 15.679 -2.812 1.00 0.00 C ATOM 525 NE ARG A 29 -4.412 17.099 -2.826 1.00 0.00 N ATOM 526 CZ ARG A 29 -5.305 18.089 -2.846 1.00 0.00 C ATOM 527 NH1 ARG A 29 -6.607 17.830 -2.852 1.00 0.00 N ATOM 528 NH2 ARG A 29 -4.889 19.349 -2.859 1.00 0.00 N ATOM 0 H ARG A 29 -2.367 13.404 -2.966 1.00 0.00 H new ATOM 0 HA ARG A 29 -4.949 13.117 -1.931 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.084 12.977 -4.845 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -5.655 13.463 -4.239 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -3.035 14.957 -3.868 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -4.367 15.425 -4.907 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -5.842 15.569 -2.862 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -4.437 15.236 -1.870 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.423 17.349 -2.820 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -6.935 16.864 -2.841 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -7.279 18.597 -2.867 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -3.890 19.556 -2.854 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -5.568 20.110 -2.874 1.00 0.00 H new ATOM 542 N ARG A 30 -3.760 10.448 -3.431 1.00 0.00 N ATOM 543 CA ARG A 30 -4.006 9.031 -3.666 1.00 0.00 C ATOM 544 C ARG A 30 -4.117 8.275 -2.348 1.00 0.00 C ATOM 545 O ARG A 30 -4.992 7.427 -2.178 1.00 0.00 O ATOM 546 CB ARG A 30 -2.887 8.431 -4.515 1.00 0.00 C ATOM 547 CG ARG A 30 -3.240 8.290 -5.986 1.00 0.00 C ATOM 548 CD ARG A 30 -2.373 7.243 -6.663 1.00 0.00 C ATOM 549 NE ARG A 30 -2.665 7.125 -8.090 1.00 0.00 N ATOM 550 CZ ARG A 30 -2.382 6.047 -8.819 1.00 0.00 C ATOM 551 NH1 ARG A 30 -1.798 4.993 -8.260 1.00 0.00 N ATOM 552 NH2 ARG A 30 -2.682 6.024 -10.110 1.00 0.00 N ATOM 0 H ARG A 30 -2.824 10.763 -3.687 1.00 0.00 H new ATOM 0 HA ARG A 30 -4.950 8.936 -4.202 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -1.999 9.056 -4.423 1.00 0.00 H new ATOM 0 HB3 ARG A 30 -2.629 7.449 -4.117 1.00 0.00 H new ATOM 0 HG2 ARG A 30 -4.290 8.015 -6.086 1.00 0.00 H new ATOM 0 HG3 ARG A 30 -3.113 9.250 -6.487 1.00 0.00 H new ATOM 0 HD2 ARG A 30 -1.323 7.501 -6.529 1.00 0.00 H new ATOM 0 HD3 ARG A 30 -2.528 6.278 -6.181 1.00 0.00 H new ATOM 0 HE ARG A 30 -3.112 7.915 -8.555 1.00 0.00 H new ATOM 0 HH11 ARG A 30 -1.564 5.006 -7.267 1.00 0.00 H new ATOM 0 HH12 ARG A 30 -1.584 4.170 -8.823 1.00 0.00 H new ATOM 0 HH21 ARG A 30 -3.129 6.831 -10.544 1.00 0.00 H new ATOM 0 HH22 ARG A 30 -2.466 5.199 -10.669 1.00 0.00 H new ATOM 566 N ARG A 31 -3.221 8.587 -1.419 1.00 0.00 N ATOM 567 CA ARG A 31 -3.214 7.938 -0.117 1.00 0.00 C ATOM 568 C ARG A 31 -4.546 8.150 0.602 1.00 0.00 C ATOM 569 O ARG A 31 -5.159 7.200 1.090 1.00 0.00 O ATOM 570 CB ARG A 31 -2.066 8.481 0.738 1.00 0.00 C ATOM 571 CG ARG A 31 -2.015 7.892 2.138 1.00 0.00 C ATOM 572 CD ARG A 31 -0.643 8.073 2.767 1.00 0.00 C ATOM 573 NE ARG A 31 -0.517 9.359 3.448 1.00 0.00 N ATOM 574 CZ ARG A 31 0.412 9.627 4.363 1.00 0.00 C ATOM 575 NH1 ARG A 31 1.299 8.702 4.709 1.00 0.00 N ATOM 576 NH2 ARG A 31 0.453 10.823 4.936 1.00 0.00 N ATOM 0 H ARG A 31 -2.490 9.287 -1.545 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.070 6.868 -0.269 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -1.121 8.278 0.233 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -2.161 9.564 0.812 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -2.769 8.370 2.763 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -2.261 6.831 2.097 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -0.461 7.267 3.478 1.00 0.00 H new ATOM 0 HD3 ARG A 31 0.123 7.995 1.995 1.00 0.00 H new ATOM 0 HE ARG A 31 -1.180 10.096 3.208 1.00 0.00 H new ATOM 0 HH11 ARG A 31 1.271 7.780 4.273 1.00 0.00 H new ATOM 0 HH12 ARG A 31 2.009 8.913 5.411 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -0.227 11.537 4.675 1.00 0.00 H new ATOM 0 HH22 ARG A 31 1.165 11.028 5.637 1.00 0.00 H new ATOM 590 N GLN A 32 -4.984 9.403 0.663 1.00 0.00 N ATOM 591 CA GLN A 32 -6.239 9.745 1.323 1.00 0.00 C ATOM 592 C GLN A 32 -7.434 9.179 0.563 1.00 0.00 C ATOM 593 O GLN A 32 -8.411 8.737 1.167 1.00 0.00 O ATOM 594 CB GLN A 32 -6.375 11.265 1.447 1.00 0.00 C ATOM 595 CG GLN A 32 -7.250 11.703 2.611 1.00 0.00 C ATOM 596 CD GLN A 32 -8.083 12.928 2.285 1.00 0.00 C ATOM 597 OE1 GLN A 32 -8.046 13.926 3.003 1.00 0.00 O ATOM 598 NE2 GLN A 32 -8.841 12.857 1.196 1.00 0.00 N ATOM 0 H GLN A 32 -4.488 10.199 0.263 1.00 0.00 H new ATOM 0 HA GLN A 32 -6.225 9.302 2.319 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -5.383 11.702 1.564 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -6.791 11.661 0.521 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -7.911 10.883 2.893 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -6.620 11.916 3.475 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -8.841 12.009 0.629 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -9.423 13.650 0.927 1.00 0.00 H new ATOM 607 N GLN A 33 -7.351 9.195 -0.764 1.00 0.00 N ATOM 608 CA GLN A 33 -8.431 8.683 -1.600 1.00 0.00 C ATOM 609 C GLN A 33 -8.578 7.175 -1.434 1.00 0.00 C ATOM 610 O GLN A 33 -9.688 6.659 -1.310 1.00 0.00 O ATOM 611 CB GLN A 33 -8.175 9.027 -3.069 1.00 0.00 C ATOM 612 CG GLN A 33 -8.778 10.356 -3.492 1.00 0.00 C ATOM 613 CD GLN A 33 -9.630 10.240 -4.742 1.00 0.00 C ATOM 614 OE1 GLN A 33 -9.116 10.048 -5.842 1.00 0.00 O ATOM 615 NE2 GLN A 33 -10.943 10.358 -4.575 1.00 0.00 N ATOM 0 H GLN A 33 -6.550 9.556 -1.282 1.00 0.00 H new ATOM 0 HA GLN A 33 -9.360 9.156 -1.282 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -7.100 9.051 -3.247 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -8.584 8.235 -3.696 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -9.386 10.750 -2.678 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -7.977 11.074 -3.668 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -11.326 10.517 -3.643 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -11.567 10.290 -5.379 1.00 0.00 H new ATOM 624 N LEU A 34 -7.450 6.471 -1.428 1.00 0.00 N ATOM 625 CA LEU A 34 -7.455 5.022 -1.270 1.00 0.00 C ATOM 626 C LEU A 34 -8.001 4.635 0.100 1.00 0.00 C ATOM 627 O LEU A 34 -8.789 3.698 0.226 1.00 0.00 O ATOM 628 CB LEU A 34 -6.038 4.468 -1.447 1.00 0.00 C ATOM 629 CG LEU A 34 -5.830 3.602 -2.693 1.00 0.00 C ATOM 630 CD1 LEU A 34 -4.569 4.021 -3.433 1.00 0.00 C ATOM 631 CD2 LEU A 34 -5.763 2.130 -2.314 1.00 0.00 C ATOM 0 H LEU A 34 -6.522 6.881 -1.531 1.00 0.00 H new ATOM 0 HA LEU A 34 -8.102 4.593 -2.035 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -5.340 5.304 -1.484 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.783 3.878 -0.567 1.00 0.00 H new ATOM 0 HG LEU A 34 -6.681 3.748 -3.358 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -4.439 3.394 -4.315 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -4.656 5.064 -3.739 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -3.707 3.906 -2.776 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -5.615 1.530 -3.212 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -4.931 1.968 -1.628 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -6.695 1.836 -1.830 1.00 0.00 H new ATOM 643 N SER A 35 -7.578 5.369 1.123 1.00 0.00 N ATOM 644 CA SER A 35 -8.019 5.116 2.488 1.00 0.00 C ATOM 645 C SER A 35 -9.529 5.274 2.609 1.00 0.00 C ATOM 646 O SER A 35 -10.220 4.397 3.128 1.00 0.00 O ATOM 647 CB SER A 35 -7.318 6.077 3.450 1.00 0.00 C ATOM 648 OG SER A 35 -5.981 5.676 3.690 1.00 0.00 O ATOM 0 H SER A 35 -6.926 6.148 1.031 1.00 0.00 H new ATOM 0 HA SER A 35 -7.758 4.090 2.747 1.00 0.00 H new ATOM 0 HB2 SER A 35 -7.329 7.085 3.034 1.00 0.00 H new ATOM 0 HB3 SER A 35 -7.864 6.115 4.393 1.00 0.00 H new ATOM 0 HG SER A 35 -5.977 4.856 4.227 1.00 0.00 H new ATOM 654 N SER A 36 -10.028 6.409 2.132 1.00 0.00 N ATOM 655 CA SER A 36 -11.456 6.708 2.186 1.00 0.00 C ATOM 656 C SER A 36 -12.258 5.806 1.251 1.00 0.00 C ATOM 657 O SER A 36 -13.364 5.381 1.583 1.00 0.00 O ATOM 658 CB SER A 36 -11.702 8.175 1.827 1.00 0.00 C ATOM 659 OG SER A 36 -11.026 9.040 2.724 1.00 0.00 O ATOM 0 H SER A 36 -9.463 7.141 1.702 1.00 0.00 H new ATOM 0 HA SER A 36 -11.793 6.520 3.205 1.00 0.00 H new ATOM 0 HB2 SER A 36 -11.363 8.365 0.809 1.00 0.00 H new ATOM 0 HB3 SER A 36 -12.771 8.384 1.851 1.00 0.00 H new ATOM 0 HG SER A 36 -10.091 9.133 2.447 1.00 0.00 H new ATOM 665 N GLU A 37 -11.700 5.527 0.077 1.00 0.00 N ATOM 666 CA GLU A 37 -12.374 4.687 -0.907 1.00 0.00 C ATOM 667 C GLU A 37 -12.595 3.275 -0.374 1.00 0.00 C ATOM 668 O GLU A 37 -13.694 2.729 -0.477 1.00 0.00 O ATOM 669 CB GLU A 37 -11.562 4.632 -2.203 1.00 0.00 C ATOM 670 CG GLU A 37 -11.881 5.759 -3.171 1.00 0.00 C ATOM 671 CD GLU A 37 -12.854 5.338 -4.256 1.00 0.00 C ATOM 672 OE1 GLU A 37 -12.418 4.672 -5.218 1.00 0.00 O ATOM 673 OE2 GLU A 37 -14.051 5.674 -4.142 1.00 0.00 O ATOM 0 H GLU A 37 -10.785 5.869 -0.216 1.00 0.00 H new ATOM 0 HA GLU A 37 -13.349 5.131 -1.111 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -10.500 4.665 -1.958 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -11.746 3.678 -2.697 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -12.300 6.600 -2.618 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -10.958 6.109 -3.632 1.00 0.00 H new ATOM 680 N LEU A 38 -11.549 2.688 0.196 1.00 0.00 N ATOM 681 CA LEU A 38 -11.637 1.338 0.741 1.00 0.00 C ATOM 682 C LEU A 38 -12.168 1.361 2.171 1.00 0.00 C ATOM 683 O LEU A 38 -13.246 0.837 2.451 1.00 0.00 O ATOM 684 CB LEU A 38 -10.267 0.660 0.702 1.00 0.00 C ATOM 685 CG LEU A 38 -9.862 0.102 -0.662 1.00 0.00 C ATOM 686 CD1 LEU A 38 -8.436 -0.426 -0.622 1.00 0.00 C ATOM 687 CD2 LEU A 38 -10.825 -0.992 -1.097 1.00 0.00 C ATOM 0 H LEU A 38 -10.632 3.124 0.293 1.00 0.00 H new ATOM 0 HA LEU A 38 -12.333 0.769 0.125 1.00 0.00 H new ATOM 0 HB2 LEU A 38 -9.513 1.379 1.022 1.00 0.00 H new ATOM 0 HB3 LEU A 38 -10.260 -0.154 1.427 1.00 0.00 H new ATOM 0 HG LEU A 38 -9.907 0.911 -1.392 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -8.166 -0.819 -1.602 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -7.756 0.383 -0.355 1.00 0.00 H new ATOM 0 HD13 LEU A 38 -8.363 -1.221 0.120 1.00 0.00 H new ATOM 0 HD21 LEU A 38 -10.522 -1.378 -2.070 1.00 0.00 H new ATOM 0 HD22 LEU A 38 -10.812 -1.800 -0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 38 -11.833 -0.583 -1.167 1.00 0.00 H new ATOM 699 N GLY A 39 -11.403 1.968 3.071 1.00 0.00 N ATOM 700 CA GLY A 39 -11.813 2.044 4.461 1.00 0.00 C ATOM 701 C GLY A 39 -10.677 1.746 5.418 1.00 0.00 C ATOM 702 O GLY A 39 -10.857 1.027 6.401 1.00 0.00 O ATOM 0 H GLY A 39 -10.507 2.409 2.863 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -12.205 3.040 4.667 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -12.626 1.339 4.636 1.00 0.00 H new ATOM 706 N LEU A 40 -9.504 2.298 5.130 1.00 0.00 N ATOM 707 CA LEU A 40 -8.333 2.088 5.973 1.00 0.00 C ATOM 708 C LEU A 40 -7.674 3.417 6.322 1.00 0.00 C ATOM 709 O LEU A 40 -8.070 4.467 5.819 1.00 0.00 O ATOM 710 CB LEU A 40 -7.327 1.177 5.267 1.00 0.00 C ATOM 711 CG LEU A 40 -7.897 -0.158 4.774 1.00 0.00 C ATOM 712 CD1 LEU A 40 -7.456 -0.437 3.345 1.00 0.00 C ATOM 713 CD2 LEU A 40 -7.470 -1.291 5.696 1.00 0.00 C ATOM 0 H LEU A 40 -9.339 2.894 4.319 1.00 0.00 H new ATOM 0 HA LEU A 40 -8.660 1.609 6.896 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.909 1.713 4.415 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.503 0.973 5.950 1.00 0.00 H new ATOM 0 HG LEU A 40 -8.985 -0.092 4.788 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -7.872 -1.389 3.015 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -7.812 0.360 2.692 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -6.368 -0.482 3.302 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.883 -2.232 5.332 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -6.382 -1.355 5.714 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -7.839 -1.099 6.704 1.00 0.00 H new ATOM 725 N ASN A 41 -6.666 3.362 7.183 1.00 0.00 N ATOM 726 CA ASN A 41 -5.950 4.562 7.598 1.00 0.00 C ATOM 727 C ASN A 41 -4.882 4.937 6.576 1.00 0.00 C ATOM 728 O ASN A 41 -4.267 4.068 5.956 1.00 0.00 O ATOM 729 CB ASN A 41 -5.309 4.352 8.971 1.00 0.00 C ATOM 730 CG ASN A 41 -5.346 5.604 9.824 1.00 0.00 C ATOM 731 OD1 ASN A 41 -6.343 6.326 9.843 1.00 0.00 O ATOM 732 ND2 ASN A 41 -4.256 5.869 10.534 1.00 0.00 N ATOM 0 H ASN A 41 -6.326 2.499 7.608 1.00 0.00 H new ATOM 0 HA ASN A 41 -6.668 5.379 7.664 1.00 0.00 H new ATOM 0 HB2 ASN A 41 -5.827 3.546 9.491 1.00 0.00 H new ATOM 0 HB3 ASN A 41 -4.274 4.035 8.841 1.00 0.00 H new ATOM 0 HD21 ASN A 41 -4.222 6.699 11.126 1.00 0.00 H new ATOM 0 HD22 ASN A 41 -3.452 5.242 10.488 1.00 0.00 H new ATOM 739 N GLU A 42 -4.665 6.238 6.403 1.00 0.00 N ATOM 740 CA GLU A 42 -3.671 6.731 5.455 1.00 0.00 C ATOM 741 C GLU A 42 -2.319 6.063 5.685 1.00 0.00 C ATOM 742 O GLU A 42 -1.628 5.692 4.737 1.00 0.00 O ATOM 743 CB GLU A 42 -3.528 8.249 5.578 1.00 0.00 C ATOM 744 CG GLU A 42 -4.774 9.012 5.158 1.00 0.00 C ATOM 745 CD GLU A 42 -4.900 10.352 5.858 1.00 0.00 C ATOM 746 OE1 GLU A 42 -4.269 10.527 6.922 1.00 0.00 O ATOM 747 OE2 GLU A 42 -5.630 11.225 5.342 1.00 0.00 O ATOM 0 H GLU A 42 -5.165 6.970 6.908 1.00 0.00 H new ATOM 0 HA GLU A 42 -4.012 6.484 4.450 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -3.289 8.501 6.611 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -2.687 8.577 4.967 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -4.753 9.170 4.080 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.656 8.409 5.375 1.00 0.00 H new ATOM 754 N ALA A 43 -1.953 5.908 6.952 1.00 0.00 N ATOM 755 CA ALA A 43 -0.687 5.281 7.311 1.00 0.00 C ATOM 756 C ALA A 43 -0.663 3.819 6.882 1.00 0.00 C ATOM 757 O ALA A 43 0.385 3.282 6.523 1.00 0.00 O ATOM 758 CB ALA A 43 -0.449 5.395 8.808 1.00 0.00 C ATOM 0 H ALA A 43 -2.515 6.208 7.748 1.00 0.00 H new ATOM 0 HA ALA A 43 0.113 5.803 6.786 1.00 0.00 H new ATOM 0 HB1 ALA A 43 0.500 4.923 9.063 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -0.419 6.447 9.093 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -1.257 4.897 9.344 1.00 0.00 H new ATOM 764 N GLN A 44 -1.828 3.180 6.916 1.00 0.00 N ATOM 765 CA GLN A 44 -1.939 1.780 6.530 1.00 0.00 C ATOM 766 C GLN A 44 -1.722 1.621 5.031 1.00 0.00 C ATOM 767 O GLN A 44 -1.047 0.691 4.586 1.00 0.00 O ATOM 768 CB GLN A 44 -3.311 1.228 6.924 1.00 0.00 C ATOM 769 CG GLN A 44 -3.571 1.266 8.422 1.00 0.00 C ATOM 770 CD GLN A 44 -5.002 0.912 8.775 1.00 0.00 C ATOM 771 OE1 GLN A 44 -5.734 0.349 7.961 1.00 0.00 O ATOM 772 NE2 GLN A 44 -5.409 1.243 9.995 1.00 0.00 N ATOM 0 H GLN A 44 -2.706 3.609 7.207 1.00 0.00 H new ATOM 0 HA GLN A 44 -1.168 1.216 7.055 1.00 0.00 H new ATOM 0 HB2 GLN A 44 -4.085 1.801 6.414 1.00 0.00 H new ATOM 0 HB3 GLN A 44 -3.394 0.199 6.574 1.00 0.00 H new ATOM 0 HG2 GLN A 44 -2.895 0.572 8.922 1.00 0.00 H new ATOM 0 HG3 GLN A 44 -3.343 2.262 8.801 1.00 0.00 H new ATOM 0 HE21 GLN A 44 -4.768 1.709 10.638 1.00 0.00 H new ATOM 0 HE22 GLN A 44 -6.362 1.031 10.290 1.00 0.00 H new ATOM 781 N ILE A 45 -2.283 2.542 4.256 1.00 0.00 N ATOM 782 CA ILE A 45 -2.131 2.507 2.808 1.00 0.00 C ATOM 783 C ILE A 45 -0.671 2.717 2.423 1.00 0.00 C ATOM 784 O ILE A 45 -0.131 2.007 1.574 1.00 0.00 O ATOM 785 CB ILE A 45 -2.994 3.585 2.120 1.00 0.00 C ATOM 786 CG1 ILE A 45 -4.446 3.494 2.598 1.00 0.00 C ATOM 787 CG2 ILE A 45 -2.917 3.439 0.606 1.00 0.00 C ATOM 788 CD1 ILE A 45 -5.155 2.236 2.150 1.00 0.00 C ATOM 0 H ILE A 45 -2.845 3.319 4.605 1.00 0.00 H new ATOM 0 HA ILE A 45 -2.466 1.526 2.471 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.605 4.567 2.391 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -4.465 3.543 3.687 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -4.995 4.361 2.230 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.531 4.206 0.135 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -1.883 3.552 0.282 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.282 2.454 0.316 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -6.178 2.241 2.526 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -5.169 2.194 1.061 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -4.630 1.364 2.540 1.00 0.00 H new ATOM 800 N LYS A 46 -0.038 3.699 3.058 1.00 0.00 N ATOM 801 CA LYS A 46 1.362 4.009 2.792 1.00 0.00 C ATOM 802 C LYS A 46 2.254 2.800 3.063 1.00 0.00 C ATOM 803 O LYS A 46 3.123 2.466 2.258 1.00 0.00 O ATOM 804 CB LYS A 46 1.812 5.190 3.654 1.00 0.00 C ATOM 805 CG LYS A 46 2.887 6.046 3.004 1.00 0.00 C ATOM 806 CD LYS A 46 4.253 5.380 3.077 1.00 0.00 C ATOM 807 CE LYS A 46 4.794 5.369 4.498 1.00 0.00 C ATOM 808 NZ LYS A 46 5.723 6.504 4.747 1.00 0.00 N ATOM 0 H LYS A 46 -0.474 4.295 3.762 1.00 0.00 H new ATOM 0 HA LYS A 46 1.455 4.274 1.739 1.00 0.00 H new ATOM 0 HB2 LYS A 46 0.948 5.815 3.878 1.00 0.00 H new ATOM 0 HB3 LYS A 46 2.187 4.812 4.605 1.00 0.00 H new ATOM 0 HG2 LYS A 46 2.626 6.229 1.962 1.00 0.00 H new ATOM 0 HG3 LYS A 46 2.928 7.017 3.498 1.00 0.00 H new ATOM 0 HD2 LYS A 46 4.180 4.357 2.707 1.00 0.00 H new ATOM 0 HD3 LYS A 46 4.951 5.906 2.425 1.00 0.00 H new ATOM 0 HE2 LYS A 46 3.964 5.418 5.203 1.00 0.00 H new ATOM 0 HE3 LYS A 46 5.313 4.428 4.682 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 6.070 6.460 5.727 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 6.528 6.444 4.092 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 5.221 7.403 4.597 1.00 0.00 H new ATOM 822 N ILE A 47 2.033 2.146 4.201 1.00 0.00 N ATOM 823 CA ILE A 47 2.823 0.976 4.568 1.00 0.00 C ATOM 824 C ILE A 47 2.632 -0.149 3.556 1.00 0.00 C ATOM 825 O ILE A 47 3.591 -0.821 3.176 1.00 0.00 O ATOM 826 CB ILE A 47 2.461 0.469 5.983 1.00 0.00 C ATOM 827 CG1 ILE A 47 2.749 1.555 7.021 1.00 0.00 C ATOM 828 CG2 ILE A 47 3.234 -0.804 6.319 1.00 0.00 C ATOM 829 CD1 ILE A 47 2.051 1.328 8.344 1.00 0.00 C ATOM 0 H ILE A 47 1.318 2.405 4.880 1.00 0.00 H new ATOM 0 HA ILE A 47 3.869 1.282 4.568 1.00 0.00 H new ATOM 0 HB ILE A 47 1.397 0.235 6.002 1.00 0.00 H new ATOM 0 HG12 ILE A 47 3.824 1.607 7.191 1.00 0.00 H new ATOM 0 HG13 ILE A 47 2.443 2.521 6.619 1.00 0.00 H new ATOM 0 HG21 ILE A 47 2.962 -1.141 7.319 1.00 0.00 H new ATOM 0 HG22 ILE A 47 2.988 -1.581 5.595 1.00 0.00 H new ATOM 0 HG23 ILE A 47 4.304 -0.600 6.283 1.00 0.00 H new ATOM 0 HD11 ILE A 47 2.301 2.137 9.031 1.00 0.00 H new ATOM 0 HD12 ILE A 47 0.973 1.306 8.187 1.00 0.00 H new ATOM 0 HD13 ILE A 47 2.376 0.378 8.768 1.00 0.00 H new ATOM 841 N TRP A 48 1.393 -0.349 3.116 1.00 0.00 N ATOM 842 CA TRP A 48 1.097 -1.392 2.142 1.00 0.00 C ATOM 843 C TRP A 48 1.860 -1.147 0.847 1.00 0.00 C ATOM 844 O TRP A 48 2.529 -2.042 0.328 1.00 0.00 O ATOM 845 CB TRP A 48 -0.405 -1.456 1.858 1.00 0.00 C ATOM 846 CG TRP A 48 -0.791 -2.609 0.984 1.00 0.00 C ATOM 847 CD1 TRP A 48 -1.146 -3.863 1.393 1.00 0.00 C ATOM 848 CD2 TRP A 48 -0.855 -2.618 -0.447 1.00 0.00 C ATOM 849 NE1 TRP A 48 -1.427 -4.651 0.303 1.00 0.00 N ATOM 850 CE2 TRP A 48 -1.257 -3.911 -0.837 1.00 0.00 C ATOM 851 CE3 TRP A 48 -0.613 -1.660 -1.438 1.00 0.00 C ATOM 852 CZ2 TRP A 48 -1.420 -4.269 -2.173 1.00 0.00 C ATOM 853 CZ3 TRP A 48 -0.776 -2.018 -2.762 1.00 0.00 C ATOM 854 CH2 TRP A 48 -1.176 -3.312 -3.120 1.00 0.00 C ATOM 0 H TRP A 48 0.584 0.194 3.417 1.00 0.00 H new ATOM 0 HA TRP A 48 1.414 -2.346 2.562 1.00 0.00 H new ATOM 0 HB2 TRP A 48 -0.944 -1.528 2.803 1.00 0.00 H new ATOM 0 HB3 TRP A 48 -0.718 -0.527 1.382 1.00 0.00 H new ATOM 0 HD1 TRP A 48 -1.198 -4.187 2.422 1.00 0.00 H new ATOM 0 HE1 TRP A 48 -1.715 -5.629 0.337 1.00 0.00 H new ATOM 0 HE3 TRP A 48 -0.305 -0.660 -1.173 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 -1.728 -5.266 -2.452 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 -0.592 -1.287 -3.535 1.00 0.00 H new ATOM 0 HH2 TRP A 48 -1.294 -3.559 -4.165 1.00 0.00 H new ATOM 865 N PHE A 49 1.762 0.073 0.332 1.00 0.00 N ATOM 866 CA PHE A 49 2.450 0.439 -0.898 1.00 0.00 C ATOM 867 C PHE A 49 3.960 0.396 -0.695 1.00 0.00 C ATOM 868 O PHE A 49 4.703 -0.049 -1.569 1.00 0.00 O ATOM 869 CB PHE A 49 2.021 1.836 -1.353 1.00 0.00 C ATOM 870 CG PHE A 49 0.986 1.820 -2.441 1.00 0.00 C ATOM 871 CD1 PHE A 49 1.364 1.781 -3.773 1.00 0.00 C ATOM 872 CD2 PHE A 49 -0.364 1.846 -2.132 1.00 0.00 C ATOM 873 CE1 PHE A 49 0.415 1.768 -4.778 1.00 0.00 C ATOM 874 CE2 PHE A 49 -1.318 1.832 -3.131 1.00 0.00 C ATOM 875 CZ PHE A 49 -0.928 1.793 -4.456 1.00 0.00 C ATOM 0 H PHE A 49 1.212 0.825 0.748 1.00 0.00 H new ATOM 0 HA PHE A 49 2.180 -0.280 -1.671 1.00 0.00 H new ATOM 0 HB2 PHE A 49 1.628 2.384 -0.496 1.00 0.00 H new ATOM 0 HB3 PHE A 49 2.898 2.380 -1.704 1.00 0.00 H new ATOM 0 HD1 PHE A 49 2.413 1.760 -4.029 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.674 1.878 -1.098 1.00 0.00 H new ATOM 0 HE1 PHE A 49 0.723 1.738 -5.813 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.367 1.852 -2.877 1.00 0.00 H new ATOM 0 HZ PHE A 49 -1.672 1.782 -5.239 1.00 0.00 H new ATOM 885 N GLN A 50 4.405 0.857 0.470 1.00 0.00 N ATOM 886 CA GLN A 50 5.825 0.866 0.796 1.00 0.00 C ATOM 887 C GLN A 50 6.379 -0.553 0.815 1.00 0.00 C ATOM 888 O GLN A 50 7.464 -0.815 0.295 1.00 0.00 O ATOM 889 CB GLN A 50 6.057 1.538 2.152 1.00 0.00 C ATOM 890 CG GLN A 50 7.525 1.662 2.524 1.00 0.00 C ATOM 891 CD GLN A 50 7.729 2.238 3.911 1.00 0.00 C ATOM 892 OE1 GLN A 50 8.412 3.249 4.082 1.00 0.00 O ATOM 893 NE2 GLN A 50 7.138 1.597 4.912 1.00 0.00 N ATOM 0 H GLN A 50 3.802 1.229 1.203 1.00 0.00 H new ATOM 0 HA GLN A 50 6.349 1.434 0.027 1.00 0.00 H new ATOM 0 HB2 GLN A 50 5.609 2.532 2.138 1.00 0.00 H new ATOM 0 HB3 GLN A 50 5.542 0.967 2.924 1.00 0.00 H new ATOM 0 HG2 GLN A 50 7.994 0.679 2.470 1.00 0.00 H new ATOM 0 HG3 GLN A 50 8.029 2.296 1.794 1.00 0.00 H new ATOM 0 HE21 GLN A 50 6.581 0.763 4.725 1.00 0.00 H new ATOM 0 HE22 GLN A 50 7.241 1.938 5.868 1.00 0.00 H new ATOM 902 N ASN A 51 5.622 -1.471 1.411 1.00 0.00 N ATOM 903 CA ASN A 51 6.036 -2.866 1.489 1.00 0.00 C ATOM 904 C ASN A 51 6.011 -3.505 0.106 1.00 0.00 C ATOM 905 O ASN A 51 6.870 -4.320 -0.230 1.00 0.00 O ATOM 906 CB ASN A 51 5.125 -3.641 2.445 1.00 0.00 C ATOM 907 CG ASN A 51 5.839 -4.048 3.718 1.00 0.00 C ATOM 908 OD1 ASN A 51 6.753 -4.871 3.695 1.00 0.00 O ATOM 909 ND2 ASN A 51 5.422 -3.472 4.840 1.00 0.00 N ATOM 0 H ASN A 51 4.721 -1.273 1.846 1.00 0.00 H new ATOM 0 HA ASN A 51 7.056 -2.902 1.873 1.00 0.00 H new ATOM 0 HB2 ASN A 51 4.260 -3.027 2.697 1.00 0.00 H new ATOM 0 HB3 ASN A 51 4.748 -4.532 1.942 1.00 0.00 H new ATOM 0 HD21 ASN A 51 5.864 -3.707 5.729 1.00 0.00 H new ATOM 0 HD22 ASN A 51 4.660 -2.794 4.813 1.00 0.00 H new ATOM 916 N LYS A 52 5.024 -3.119 -0.696 1.00 0.00 N ATOM 917 CA LYS A 52 4.890 -3.644 -2.048 1.00 0.00 C ATOM 918 C LYS A 52 6.011 -3.115 -2.935 1.00 0.00 C ATOM 919 O LYS A 52 6.557 -3.839 -3.766 1.00 0.00 O ATOM 920 CB LYS A 52 3.528 -3.260 -2.634 1.00 0.00 C ATOM 921 CG LYS A 52 2.756 -4.440 -3.199 1.00 0.00 C ATOM 922 CD LYS A 52 2.868 -4.506 -4.714 1.00 0.00 C ATOM 923 CE LYS A 52 1.838 -5.455 -5.310 1.00 0.00 C ATOM 924 NZ LYS A 52 2.481 -6.606 -6.003 1.00 0.00 N ATOM 0 H LYS A 52 4.306 -2.444 -0.432 1.00 0.00 H new ATOM 0 HA LYS A 52 4.960 -4.731 -2.007 1.00 0.00 H new ATOM 0 HB2 LYS A 52 2.929 -2.782 -1.858 1.00 0.00 H new ATOM 0 HB3 LYS A 52 3.676 -2.522 -3.422 1.00 0.00 H new ATOM 0 HG2 LYS A 52 3.135 -5.365 -2.765 1.00 0.00 H new ATOM 0 HG3 LYS A 52 1.707 -4.360 -2.914 1.00 0.00 H new ATOM 0 HD2 LYS A 52 2.731 -3.509 -5.133 1.00 0.00 H new ATOM 0 HD3 LYS A 52 3.870 -4.834 -4.992 1.00 0.00 H new ATOM 0 HE2 LYS A 52 1.185 -5.825 -4.520 1.00 0.00 H new ATOM 0 HE3 LYS A 52 1.209 -4.912 -6.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.747 -7.229 -6.395 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 3.084 -6.254 -6.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 3.062 -7.139 -5.325 1.00 0.00 H new ATOM 938 N ARG A 53 6.352 -1.845 -2.742 1.00 0.00 N ATOM 939 CA ARG A 53 7.411 -1.208 -3.514 1.00 0.00 C ATOM 940 C ARG A 53 8.759 -1.861 -3.222 1.00 0.00 C ATOM 941 O ARG A 53 9.547 -2.118 -4.132 1.00 0.00 O ATOM 942 CB ARG A 53 7.474 0.287 -3.185 1.00 0.00 C ATOM 943 CG ARG A 53 7.668 1.174 -4.404 1.00 0.00 C ATOM 944 CD ARG A 53 7.391 2.634 -4.078 1.00 0.00 C ATOM 945 NE ARG A 53 8.463 3.512 -4.542 1.00 0.00 N ATOM 946 CZ ARG A 53 8.568 3.957 -5.792 1.00 0.00 C ATOM 947 NH1 ARG A 53 7.671 3.609 -6.705 1.00 0.00 N ATOM 948 NH2 ARG A 53 9.573 4.754 -6.129 1.00 0.00 N ATOM 0 H ARG A 53 5.908 -1.236 -2.055 1.00 0.00 H new ATOM 0 HA ARG A 53 7.187 -1.333 -4.573 1.00 0.00 H new ATOM 0 HB2 ARG A 53 6.554 0.577 -2.678 1.00 0.00 H new ATOM 0 HB3 ARG A 53 8.292 0.462 -2.486 1.00 0.00 H new ATOM 0 HG2 ARG A 53 8.688 1.069 -4.773 1.00 0.00 H new ATOM 0 HG3 ARG A 53 7.004 0.846 -5.204 1.00 0.00 H new ATOM 0 HD2 ARG A 53 6.450 2.936 -4.538 1.00 0.00 H new ATOM 0 HD3 ARG A 53 7.270 2.748 -3.001 1.00 0.00 H new ATOM 0 HE ARG A 53 9.172 3.801 -3.868 1.00 0.00 H new ATOM 0 HH11 ARG A 53 6.895 2.997 -6.451 1.00 0.00 H new ATOM 0 HH12 ARG A 53 7.757 3.953 -7.661 1.00 0.00 H new ATOM 0 HH21 ARG A 53 10.265 5.026 -5.430 1.00 0.00 H new ATOM 0 HH22 ARG A 53 9.654 5.095 -7.087 1.00 0.00 H new