USER MOD reduce.3.24.130724 H: found=0, std=0, add=410, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 411 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 12 THR OG1 : rot 32:sc= 0.148 USER MOD Single : A 14 TYR OH : rot 122:sc= -0.256 USER MOD Single : A 15 SER OG : rot 180:sc= -0.071 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc= -1.75 K(o=-1.7,f=-3) USER MOD Single : A 23 GLN : amide:sc= -0.0482 K(o=-0.048,f=-1.1!) USER MOD Single : A 27 GLN : amide:sc= -0.312 X(o=-0.31,f=-0.73) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot -116:sc= 0.315 USER MOD Single : A 30 GLN : amide:sc= -0.204 K(o=-0.2,f=-2.1!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.16) USER MOD Single : A 49 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=-0.4) USER MOD Single : A 52 LYS NZ :NH3+ 148:sc= -2.21! (180deg=-3.28!) USER MOD Single : A 56 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 ASN : amide:sc= -0.44 X(o=-0.44,f=0) USER MOD Single : A 58 LYS NZ :NH3+ -117:sc= 0.384 (180deg=-0.044) USER MOD ----------------------------------------------------------------- ATOM 150 N THR A 12 -0.653 12.242 -5.143 1.00 0.00 N ATOM 151 CA THR A 12 0.065 11.050 -4.710 1.00 0.00 C ATOM 152 C THR A 12 -0.274 9.854 -5.593 1.00 0.00 C ATOM 153 O THR A 12 -1.302 9.842 -6.270 1.00 0.00 O ATOM 154 CB THR A 12 -0.257 10.700 -3.245 1.00 0.00 C ATOM 155 OG1 THR A 12 -0.059 11.848 -2.413 1.00 0.00 O ATOM 156 CG2 THR A 12 0.618 9.556 -2.757 1.00 0.00 C ATOM 0 HA THR A 12 1.128 11.273 -4.796 1.00 0.00 H new ATOM 0 HB THR A 12 -1.300 10.387 -3.190 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.257 12.660 -2.924 1.00 0.00 H new ATOM 0 HG21 THR A 12 0.372 9.327 -1.720 1.00 0.00 H new ATOM 0 HG22 THR A 12 0.443 8.675 -3.375 1.00 0.00 H new ATOM 0 HG23 THR A 12 1.667 9.845 -2.826 1.00 0.00 H new ATOM 164 N ILE A 13 0.596 8.850 -5.580 1.00 0.00 N ATOM 165 CA ILE A 13 0.387 7.648 -6.378 1.00 0.00 C ATOM 166 C ILE A 13 -0.951 6.994 -6.047 1.00 0.00 C ATOM 167 O ILE A 13 -1.446 6.154 -6.799 1.00 0.00 O ATOM 168 CB ILE A 13 1.515 6.623 -6.158 1.00 0.00 C ATOM 169 CG1 ILE A 13 2.878 7.269 -6.414 1.00 0.00 C ATOM 170 CG2 ILE A 13 1.316 5.415 -7.062 1.00 0.00 C ATOM 171 CD1 ILE A 13 4.000 6.649 -5.611 1.00 0.00 C ATOM 0 H ILE A 13 1.452 8.845 -5.026 1.00 0.00 H new ATOM 0 HA ILE A 13 0.388 7.959 -7.423 1.00 0.00 H new ATOM 0 HB ILE A 13 1.483 6.286 -5.122 1.00 0.00 H new ATOM 0 HG12 ILE A 13 3.115 7.190 -7.475 1.00 0.00 H new ATOM 0 HG13 ILE A 13 2.818 8.332 -6.179 1.00 0.00 H new ATOM 0 HG21 ILE A 13 2.121 4.699 -6.895 1.00 0.00 H new ATOM 0 HG22 ILE A 13 0.359 4.945 -6.835 1.00 0.00 H new ATOM 0 HG23 ILE A 13 1.325 5.735 -8.104 1.00 0.00 H new ATOM 0 HD11 ILE A 13 4.937 7.156 -5.843 1.00 0.00 H new ATOM 0 HD12 ILE A 13 3.786 6.751 -4.547 1.00 0.00 H new ATOM 0 HD13 ILE A 13 4.087 5.592 -5.864 1.00 0.00 H new ATOM 183 N TYR A 14 -1.532 7.387 -4.919 1.00 0.00 N ATOM 184 CA TYR A 14 -2.812 6.839 -4.487 1.00 0.00 C ATOM 185 C TYR A 14 -3.698 7.928 -3.891 1.00 0.00 C ATOM 186 O TYR A 14 -3.225 8.796 -3.158 1.00 0.00 O ATOM 187 CB TYR A 14 -2.595 5.725 -3.462 1.00 0.00 C ATOM 188 CG TYR A 14 -2.152 4.415 -4.074 1.00 0.00 C ATOM 189 CD1 TYR A 14 -0.876 4.270 -4.605 1.00 0.00 C ATOM 190 CD2 TYR A 14 -3.010 3.323 -4.122 1.00 0.00 C ATOM 191 CE1 TYR A 14 -0.468 3.075 -5.166 1.00 0.00 C ATOM 192 CE2 TYR A 14 -2.610 2.125 -4.680 1.00 0.00 C ATOM 193 CZ TYR A 14 -1.338 2.006 -5.201 1.00 0.00 C ATOM 194 OH TYR A 14 -0.935 0.814 -5.758 1.00 0.00 O ATOM 0 H TYR A 14 -1.137 8.083 -4.287 1.00 0.00 H new ATOM 0 HA TYR A 14 -3.314 6.426 -5.362 1.00 0.00 H new ATOM 0 HB2 TYR A 14 -1.847 6.049 -2.739 1.00 0.00 H new ATOM 0 HB3 TYR A 14 -3.522 5.564 -2.912 1.00 0.00 H new ATOM 0 HD1 TYR A 14 -0.192 5.105 -4.579 1.00 0.00 H new ATOM 0 HD2 TYR A 14 -4.007 3.413 -3.716 1.00 0.00 H new ATOM 0 HE1 TYR A 14 0.527 2.979 -5.575 1.00 0.00 H new ATOM 0 HE2 TYR A 14 -3.289 1.286 -4.708 1.00 0.00 H new ATOM 0 HH TYR A 14 -1.018 0.098 -5.094 1.00 0.00 H new ATOM 204 N SER A 15 -4.987 7.875 -4.212 1.00 0.00 N ATOM 205 CA SER A 15 -5.940 8.859 -3.712 1.00 0.00 C ATOM 206 C SER A 15 -5.993 8.838 -2.187 1.00 0.00 C ATOM 207 O SER A 15 -5.613 7.852 -1.556 1.00 0.00 O ATOM 208 CB SER A 15 -7.332 8.588 -4.285 1.00 0.00 C ATOM 209 OG SER A 15 -8.286 9.495 -3.760 1.00 0.00 O ATOM 0 H SER A 15 -5.395 7.161 -4.816 1.00 0.00 H new ATOM 0 HA SER A 15 -5.608 9.846 -4.033 1.00 0.00 H new ATOM 0 HB2 SER A 15 -7.304 8.673 -5.371 1.00 0.00 H new ATOM 0 HB3 SER A 15 -7.631 7.566 -4.053 1.00 0.00 H new ATOM 0 HG SER A 15 -9.167 9.302 -4.143 1.00 0.00 H new ATOM 215 N SER A 16 -6.465 9.934 -1.603 1.00 0.00 N ATOM 216 CA SER A 16 -6.564 10.045 -0.152 1.00 0.00 C ATOM 217 C SER A 16 -7.506 8.985 0.410 1.00 0.00 C ATOM 218 O SER A 16 -7.274 8.442 1.491 1.00 0.00 O ATOM 219 CB SER A 16 -7.055 11.440 0.242 1.00 0.00 C ATOM 220 OG SER A 16 -8.318 11.718 -0.336 1.00 0.00 O ATOM 0 H SER A 16 -6.785 10.758 -2.112 1.00 0.00 H new ATOM 0 HA SER A 16 -5.571 9.885 0.269 1.00 0.00 H new ATOM 0 HB2 SER A 16 -7.125 11.511 1.327 1.00 0.00 H new ATOM 0 HB3 SER A 16 -6.331 12.188 -0.081 1.00 0.00 H new ATOM 0 HG SER A 16 -8.610 12.614 -0.068 1.00 0.00 H new ATOM 226 N PHE A 17 -8.571 8.695 -0.330 1.00 0.00 N ATOM 227 CA PHE A 17 -9.550 7.701 0.094 1.00 0.00 C ATOM 228 C PHE A 17 -8.941 6.301 0.087 1.00 0.00 C ATOM 229 O PHE A 17 -9.114 5.534 1.033 1.00 0.00 O ATOM 230 CB PHE A 17 -10.777 7.740 -0.819 1.00 0.00 C ATOM 231 CG PHE A 17 -11.604 6.488 -0.766 1.00 0.00 C ATOM 232 CD1 PHE A 17 -12.282 6.138 0.390 1.00 0.00 C ATOM 233 CD2 PHE A 17 -11.704 5.660 -1.873 1.00 0.00 C ATOM 234 CE1 PHE A 17 -13.044 4.986 0.442 1.00 0.00 C ATOM 235 CE2 PHE A 17 -12.464 4.507 -1.828 1.00 0.00 C ATOM 236 CZ PHE A 17 -13.135 4.170 -0.669 1.00 0.00 C ATOM 0 H PHE A 17 -8.778 9.135 -1.227 1.00 0.00 H new ATOM 0 HA PHE A 17 -9.856 7.940 1.112 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -11.400 8.590 -0.540 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -10.451 7.907 -1.846 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -12.214 6.773 1.261 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -11.181 5.919 -2.782 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -13.567 4.724 1.350 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -12.533 3.870 -2.698 1.00 0.00 H new ATOM 0 HZ PHE A 17 -13.730 3.270 -0.631 1.00 0.00 H new ATOM 246 N GLN A 18 -8.229 5.977 -0.988 1.00 0.00 N ATOM 247 CA GLN A 18 -7.597 4.670 -1.119 1.00 0.00 C ATOM 248 C GLN A 18 -6.485 4.498 -0.089 1.00 0.00 C ATOM 249 O GLN A 18 -6.286 3.407 0.449 1.00 0.00 O ATOM 250 CB GLN A 18 -7.033 4.492 -2.530 1.00 0.00 C ATOM 251 CG GLN A 18 -8.100 4.455 -3.611 1.00 0.00 C ATOM 252 CD GLN A 18 -7.514 4.441 -5.009 1.00 0.00 C ATOM 253 OE1 GLN A 18 -6.390 4.894 -5.229 1.00 0.00 O ATOM 254 NE2 GLN A 18 -8.275 3.919 -5.965 1.00 0.00 N ATOM 0 H GLN A 18 -8.076 6.601 -1.780 1.00 0.00 H new ATOM 0 HA GLN A 18 -8.355 3.908 -0.940 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -6.341 5.308 -2.741 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -6.457 3.568 -2.568 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -8.721 3.570 -3.473 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -8.752 5.322 -3.503 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -9.200 3.555 -5.738 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -7.934 3.882 -6.926 1.00 0.00 H new ATOM 263 N LEU A 19 -5.763 5.580 0.182 1.00 0.00 N ATOM 264 CA LEU A 19 -4.671 5.548 1.148 1.00 0.00 C ATOM 265 C LEU A 19 -5.205 5.401 2.569 1.00 0.00 C ATOM 266 O LEU A 19 -4.725 4.570 3.340 1.00 0.00 O ATOM 267 CB LEU A 19 -3.829 6.820 1.036 1.00 0.00 C ATOM 268 CG LEU A 19 -2.700 6.789 0.005 1.00 0.00 C ATOM 269 CD1 LEU A 19 -1.849 8.046 0.107 1.00 0.00 C ATOM 270 CD2 LEU A 19 -1.842 5.546 0.191 1.00 0.00 C ATOM 0 H LEU A 19 -5.914 6.490 -0.254 1.00 0.00 H new ATOM 0 HA LEU A 19 -4.045 4.684 0.924 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -4.492 7.651 0.794 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -3.396 7.032 2.013 1.00 0.00 H new ATOM 0 HG LEU A 19 -3.144 6.755 -0.990 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.051 8.006 -0.634 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -2.471 8.922 -0.076 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -1.415 8.111 1.105 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -1.044 5.541 -0.551 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -1.408 5.550 1.191 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -2.459 4.656 0.067 1.00 0.00 H new ATOM 282 N ALA A 20 -6.201 6.213 2.908 1.00 0.00 N ATOM 283 CA ALA A 20 -6.804 6.170 4.235 1.00 0.00 C ATOM 284 C ALA A 20 -7.024 4.732 4.692 1.00 0.00 C ATOM 285 O ALA A 20 -6.626 4.353 5.793 1.00 0.00 O ATOM 286 CB ALA A 20 -8.119 6.935 4.243 1.00 0.00 C ATOM 0 H ALA A 20 -6.607 6.908 2.282 1.00 0.00 H new ATOM 0 HA ALA A 20 -6.116 6.645 4.934 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -8.558 6.894 5.240 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -7.937 7.974 3.969 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -8.806 6.485 3.526 1.00 0.00 H new ATOM 292 N ALA A 21 -7.660 3.936 3.839 1.00 0.00 N ATOM 293 CA ALA A 21 -7.932 2.539 4.155 1.00 0.00 C ATOM 294 C ALA A 21 -6.653 1.708 4.114 1.00 0.00 C ATOM 295 O ALA A 21 -6.393 0.906 5.012 1.00 0.00 O ATOM 296 CB ALA A 21 -8.964 1.971 3.193 1.00 0.00 C ATOM 0 H ALA A 21 -7.997 4.235 2.924 1.00 0.00 H new ATOM 0 HA ALA A 21 -8.332 2.493 5.168 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -9.157 0.927 3.441 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -9.890 2.541 3.275 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -8.586 2.037 2.173 1.00 0.00 H new ATOM 302 N LEU A 22 -5.860 1.904 3.067 1.00 0.00 N ATOM 303 CA LEU A 22 -4.608 1.172 2.908 1.00 0.00 C ATOM 304 C LEU A 22 -3.755 1.272 4.168 1.00 0.00 C ATOM 305 O LEU A 22 -3.467 0.266 4.816 1.00 0.00 O ATOM 306 CB LEU A 22 -3.829 1.709 1.707 1.00 0.00 C ATOM 307 CG LEU A 22 -4.297 1.227 0.333 1.00 0.00 C ATOM 308 CD1 LEU A 22 -3.600 2.006 -0.772 1.00 0.00 C ATOM 309 CD2 LEU A 22 -4.043 -0.265 0.177 1.00 0.00 C ATOM 0 H LEU A 22 -6.061 2.563 2.315 1.00 0.00 H new ATOM 0 HA LEU A 22 -4.849 0.123 2.737 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.879 2.798 1.724 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -2.781 1.436 1.828 1.00 0.00 H new ATOM 0 HG LEU A 22 -5.370 1.404 0.253 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -3.946 1.649 -1.742 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.832 3.066 -0.672 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.522 1.861 -0.695 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -4.382 -0.591 -0.806 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -2.976 -0.465 0.278 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -4.589 -0.809 0.948 1.00 0.00 H new ATOM 321 N GLN A 23 -3.355 2.493 4.510 1.00 0.00 N ATOM 322 CA GLN A 23 -2.536 2.724 5.694 1.00 0.00 C ATOM 323 C GLN A 23 -3.187 2.119 6.933 1.00 0.00 C ATOM 324 O GLN A 23 -2.524 1.463 7.737 1.00 0.00 O ATOM 325 CB GLN A 23 -2.314 4.224 5.901 1.00 0.00 C ATOM 326 CG GLN A 23 -1.199 4.798 5.043 1.00 0.00 C ATOM 327 CD GLN A 23 -0.665 6.110 5.581 1.00 0.00 C ATOM 328 OE1 GLN A 23 -0.582 6.310 6.794 1.00 0.00 O ATOM 329 NE2 GLN A 23 -0.298 7.015 4.681 1.00 0.00 N ATOM 0 H GLN A 23 -3.585 3.336 3.984 1.00 0.00 H new ATOM 0 HA GLN A 23 -1.572 2.239 5.539 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -3.241 4.754 5.680 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -2.084 4.407 6.951 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.384 4.076 4.982 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -1.568 4.949 4.028 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -0.383 6.808 3.686 1.00 0.00 H new ATOM 0 HE22 GLN A 23 0.069 7.917 4.985 1.00 0.00 H new ATOM 338 N ARG A 24 -4.489 2.343 7.082 1.00 0.00 N ATOM 339 CA ARG A 24 -5.229 1.821 8.224 1.00 0.00 C ATOM 340 C ARG A 24 -4.970 0.327 8.403 1.00 0.00 C ATOM 341 O ARG A 24 -4.737 -0.143 9.516 1.00 0.00 O ATOM 342 CB ARG A 24 -6.727 2.072 8.046 1.00 0.00 C ATOM 343 CG ARG A 24 -7.506 2.060 9.351 1.00 0.00 C ATOM 344 CD ARG A 24 -7.884 0.646 9.762 1.00 0.00 C ATOM 345 NE ARG A 24 -8.510 0.607 11.081 1.00 0.00 N ATOM 346 CZ ARG A 24 -9.058 -0.485 11.603 1.00 0.00 C ATOM 347 NH1 ARG A 24 -9.057 -1.622 10.921 1.00 0.00 N ATOM 348 NH2 ARG A 24 -9.608 -0.440 12.809 1.00 0.00 N ATOM 0 H ARG A 24 -5.053 2.883 6.425 1.00 0.00 H new ATOM 0 HA ARG A 24 -4.884 2.342 9.117 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -6.870 3.035 7.556 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -7.137 1.312 7.381 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.908 2.521 10.137 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -8.408 2.662 9.243 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -8.567 0.225 9.024 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.992 0.019 9.766 1.00 0.00 H new ATOM 0 HE ARG A 24 -8.527 1.465 11.632 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.635 -1.660 9.993 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -9.478 -2.459 11.324 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -9.610 0.433 13.336 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -10.029 -1.279 13.209 1.00 0.00 H new ATOM 362 N ARG A 25 -5.013 -0.411 7.299 1.00 0.00 N ATOM 363 CA ARG A 25 -4.786 -1.851 7.334 1.00 0.00 C ATOM 364 C ARG A 25 -3.304 -2.163 7.526 1.00 0.00 C ATOM 365 O ARG A 25 -2.944 -3.101 8.237 1.00 0.00 O ATOM 366 CB ARG A 25 -5.291 -2.500 6.044 1.00 0.00 C ATOM 367 CG ARG A 25 -5.534 -3.995 6.169 1.00 0.00 C ATOM 368 CD ARG A 25 -6.597 -4.301 7.214 1.00 0.00 C ATOM 369 NE ARG A 25 -7.247 -5.586 6.973 1.00 0.00 N ATOM 370 CZ ARG A 25 -8.349 -5.981 7.600 1.00 0.00 C ATOM 371 NH1 ARG A 25 -8.921 -5.195 8.501 1.00 0.00 N ATOM 372 NH2 ARG A 25 -8.882 -7.165 7.326 1.00 0.00 N ATOM 0 H ARG A 25 -5.203 -0.036 6.370 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.339 -2.260 8.179 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.219 -2.014 5.742 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -4.565 -2.324 5.250 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -5.844 -4.396 5.204 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -4.603 -4.495 6.438 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -6.141 -4.305 8.204 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.346 -3.509 7.211 1.00 0.00 H new ATOM 0 HE ARG A 25 -6.832 -6.215 6.285 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.515 -4.284 8.714 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -9.767 -5.501 8.981 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -8.445 -7.773 6.633 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -9.728 -7.467 7.808 1.00 0.00 H new ATOM 386 N PHE A 26 -2.450 -1.369 6.888 1.00 0.00 N ATOM 387 CA PHE A 26 -1.008 -1.561 6.988 1.00 0.00 C ATOM 388 C PHE A 26 -0.577 -1.699 8.445 1.00 0.00 C ATOM 389 O PHE A 26 0.255 -2.542 8.779 1.00 0.00 O ATOM 390 CB PHE A 26 -0.270 -0.391 6.334 1.00 0.00 C ATOM 391 CG PHE A 26 1.201 -0.635 6.154 1.00 0.00 C ATOM 392 CD1 PHE A 26 1.651 -1.695 5.383 1.00 0.00 C ATOM 393 CD2 PHE A 26 2.133 0.195 6.756 1.00 0.00 C ATOM 394 CE1 PHE A 26 3.004 -1.922 5.215 1.00 0.00 C ATOM 395 CE2 PHE A 26 3.487 -0.027 6.591 1.00 0.00 C ATOM 396 CZ PHE A 26 3.923 -1.088 5.821 1.00 0.00 C ATOM 0 H PHE A 26 -2.732 -0.587 6.297 1.00 0.00 H new ATOM 0 HA PHE A 26 -0.752 -2.482 6.464 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -0.718 -0.187 5.361 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -0.410 0.502 6.943 1.00 0.00 H new ATOM 0 HD1 PHE A 26 0.936 -2.351 4.908 1.00 0.00 H new ATOM 0 HD2 PHE A 26 1.798 1.025 7.361 1.00 0.00 H new ATOM 0 HE1 PHE A 26 3.342 -2.751 4.611 1.00 0.00 H new ATOM 0 HE2 PHE A 26 4.204 0.628 7.064 1.00 0.00 H new ATOM 0 HZ PHE A 26 4.981 -1.265 5.693 1.00 0.00 H new ATOM 406 N GLN A 27 -1.150 -0.864 9.306 1.00 0.00 N ATOM 407 CA GLN A 27 -0.824 -0.892 10.727 1.00 0.00 C ATOM 408 C GLN A 27 -1.298 -2.191 11.369 1.00 0.00 C ATOM 409 O GLN A 27 -0.514 -2.916 11.982 1.00 0.00 O ATOM 410 CB GLN A 27 -1.456 0.304 11.440 1.00 0.00 C ATOM 411 CG GLN A 27 -0.913 1.646 10.977 1.00 0.00 C ATOM 412 CD GLN A 27 0.599 1.720 11.049 1.00 0.00 C ATOM 413 OE1 GLN A 27 1.298 1.274 10.139 1.00 0.00 O ATOM 414 NE2 GLN A 27 1.113 2.286 12.135 1.00 0.00 N ATOM 0 H GLN A 27 -1.841 -0.161 9.045 1.00 0.00 H new ATOM 0 HA GLN A 27 0.260 -0.834 10.827 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.534 0.283 11.280 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.291 0.205 12.513 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -1.233 1.829 9.951 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.341 2.438 11.591 1.00 0.00 H new ATOM 0 HE21 GLN A 27 0.496 2.642 12.865 1.00 0.00 H new ATOM 0 HE22 GLN A 27 2.125 2.364 12.239 1.00 0.00 H new ATOM 423 N LYS A 28 -2.587 -2.480 11.225 1.00 0.00 N ATOM 424 CA LYS A 28 -3.168 -3.693 11.790 1.00 0.00 C ATOM 425 C LYS A 28 -2.327 -4.915 11.436 1.00 0.00 C ATOM 426 O LYS A 28 -1.984 -5.719 12.303 1.00 0.00 O ATOM 427 CB LYS A 28 -4.599 -3.881 11.283 1.00 0.00 C ATOM 428 CG LYS A 28 -5.605 -2.951 11.941 1.00 0.00 C ATOM 429 CD LYS A 28 -6.129 -3.529 13.245 1.00 0.00 C ATOM 430 CE LYS A 28 -6.903 -2.491 14.043 1.00 0.00 C ATOM 431 NZ LYS A 28 -6.961 -2.836 15.491 1.00 0.00 N ATOM 0 H LYS A 28 -3.250 -1.890 10.722 1.00 0.00 H new ATOM 0 HA LYS A 28 -3.184 -3.587 12.875 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -4.618 -3.719 10.205 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -4.904 -4.913 11.456 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -5.138 -1.985 12.132 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -6.437 -2.774 11.260 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -6.774 -4.382 13.033 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -5.295 -3.900 13.841 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -6.434 -1.515 13.921 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -7.916 -2.410 13.648 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -7.497 -2.105 16.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -7.431 -3.756 15.610 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -5.996 -2.888 15.874 1.00 0.00 H new ATOM 445 N THR A 29 -1.995 -5.048 10.155 1.00 0.00 N ATOM 446 CA THR A 29 -1.194 -6.172 9.686 1.00 0.00 C ATOM 447 C THR A 29 -0.463 -5.824 8.395 1.00 0.00 C ATOM 448 O THR A 29 -1.069 -5.343 7.438 1.00 0.00 O ATOM 449 CB THR A 29 -2.063 -7.422 9.450 1.00 0.00 C ATOM 450 OG1 THR A 29 -1.244 -8.512 9.012 1.00 0.00 O ATOM 451 CG2 THR A 29 -3.142 -7.143 8.415 1.00 0.00 C ATOM 0 H THR A 29 -2.269 -4.391 9.424 1.00 0.00 H new ATOM 0 HA THR A 29 -0.465 -6.388 10.467 1.00 0.00 H new ATOM 0 HB THR A 29 -2.545 -7.686 10.391 1.00 0.00 H new ATOM 0 HG1 THR A 29 -1.500 -8.768 8.101 1.00 0.00 H new ATOM 0 HG21 THR A 29 -3.743 -8.040 8.265 1.00 0.00 H new ATOM 0 HG22 THR A 29 -3.781 -6.332 8.765 1.00 0.00 H new ATOM 0 HG23 THR A 29 -2.676 -6.856 7.472 1.00 0.00 H new ATOM 459 N GLN A 30 0.843 -6.072 8.374 1.00 0.00 N ATOM 460 CA GLN A 30 1.657 -5.785 7.199 1.00 0.00 C ATOM 461 C GLN A 30 1.461 -6.853 6.128 1.00 0.00 C ATOM 462 O GLN A 30 1.634 -6.591 4.937 1.00 0.00 O ATOM 463 CB GLN A 30 3.134 -5.697 7.584 1.00 0.00 C ATOM 464 CG GLN A 30 3.543 -4.333 8.118 1.00 0.00 C ATOM 465 CD GLN A 30 3.321 -4.200 9.611 1.00 0.00 C ATOM 466 OE1 GLN A 30 3.131 -5.193 10.313 1.00 0.00 O ATOM 467 NE2 GLN A 30 3.344 -2.968 10.106 1.00 0.00 N ATOM 0 H GLN A 30 1.360 -6.471 9.158 1.00 0.00 H new ATOM 0 HA GLN A 30 1.338 -4.825 6.793 1.00 0.00 H new ATOM 0 HB2 GLN A 30 3.350 -6.453 8.339 1.00 0.00 H new ATOM 0 HB3 GLN A 30 3.743 -5.934 6.712 1.00 0.00 H new ATOM 0 HG2 GLN A 30 4.596 -4.160 7.894 1.00 0.00 H new ATOM 0 HG3 GLN A 30 2.976 -3.559 7.600 1.00 0.00 H new ATOM 0 HE21 GLN A 30 3.505 -2.173 9.488 1.00 0.00 H new ATOM 0 HE22 GLN A 30 3.201 -2.817 11.105 1.00 0.00 H new ATOM 476 N TYR A 31 1.101 -8.057 6.558 1.00 0.00 N ATOM 477 CA TYR A 31 0.886 -9.165 5.636 1.00 0.00 C ATOM 478 C TYR A 31 -0.601 -9.481 5.503 1.00 0.00 C ATOM 479 O TYR A 31 -1.225 -9.996 6.432 1.00 0.00 O ATOM 480 CB TYR A 31 1.642 -10.407 6.113 1.00 0.00 C ATOM 481 CG TYR A 31 3.068 -10.125 6.527 1.00 0.00 C ATOM 482 CD1 TYR A 31 4.019 -9.731 5.593 1.00 0.00 C ATOM 483 CD2 TYR A 31 3.466 -10.254 7.852 1.00 0.00 C ATOM 484 CE1 TYR A 31 5.323 -9.473 5.967 1.00 0.00 C ATOM 485 CE2 TYR A 31 4.768 -9.997 8.235 1.00 0.00 C ATOM 486 CZ TYR A 31 5.693 -9.607 7.289 1.00 0.00 C ATOM 487 OH TYR A 31 6.991 -9.352 7.667 1.00 0.00 O ATOM 0 H TYR A 31 0.952 -8.290 7.540 1.00 0.00 H new ATOM 0 HA TYR A 31 1.266 -8.870 4.658 1.00 0.00 H new ATOM 0 HB2 TYR A 31 1.108 -10.846 6.956 1.00 0.00 H new ATOM 0 HB3 TYR A 31 1.644 -11.150 5.315 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.733 -9.625 4.557 1.00 0.00 H new ATOM 0 HD2 TYR A 31 2.745 -10.561 8.595 1.00 0.00 H new ATOM 0 HE1 TYR A 31 6.049 -9.168 5.228 1.00 0.00 H new ATOM 0 HE2 TYR A 31 5.060 -10.101 9.270 1.00 0.00 H new ATOM 0 HH TYR A 31 7.084 -9.492 8.632 1.00 0.00 H new ATOM 497 N LEU A 32 -1.163 -9.171 4.340 1.00 0.00 N ATOM 498 CA LEU A 32 -2.577 -9.422 4.082 1.00 0.00 C ATOM 499 C LEU A 32 -2.779 -10.793 3.445 1.00 0.00 C ATOM 500 O LEU A 32 -1.979 -11.228 2.617 1.00 0.00 O ATOM 501 CB LEU A 32 -3.150 -8.334 3.172 1.00 0.00 C ATOM 502 CG LEU A 32 -3.531 -7.020 3.854 1.00 0.00 C ATOM 503 CD1 LEU A 32 -4.262 -6.106 2.883 1.00 0.00 C ATOM 504 CD2 LEU A 32 -4.387 -7.287 5.085 1.00 0.00 C ATOM 0 H LEU A 32 -0.661 -8.745 3.560 1.00 0.00 H new ATOM 0 HA LEU A 32 -3.104 -9.404 5.036 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -2.418 -8.117 2.394 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -4.035 -8.732 2.676 1.00 0.00 H new ATOM 0 HG LEU A 32 -2.616 -6.520 4.173 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -4.525 -5.176 3.387 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -3.616 -5.888 2.032 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -5.169 -6.598 2.533 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -4.649 -6.341 5.558 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -5.297 -7.809 4.789 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -3.828 -7.903 5.790 1.00 0.00 H new ATOM 516 N ALA A 33 -3.855 -11.468 3.835 1.00 0.00 N ATOM 517 CA ALA A 33 -4.165 -12.787 3.299 1.00 0.00 C ATOM 518 C ALA A 33 -4.685 -12.690 1.868 1.00 0.00 C ATOM 519 O ALA A 33 -4.838 -11.595 1.325 1.00 0.00 O ATOM 520 CB ALA A 33 -5.182 -13.491 4.185 1.00 0.00 C ATOM 0 H ALA A 33 -4.527 -11.123 4.521 1.00 0.00 H new ATOM 0 HA ALA A 33 -3.245 -13.372 3.285 1.00 0.00 H new ATOM 0 HB1 ALA A 33 -5.404 -14.475 3.773 1.00 0.00 H new ATOM 0 HB2 ALA A 33 -4.774 -13.602 5.190 1.00 0.00 H new ATOM 0 HB3 ALA A 33 -6.097 -12.901 4.228 1.00 0.00 H new ATOM 526 N LEU A 34 -4.956 -13.841 1.263 1.00 0.00 N ATOM 527 CA LEU A 34 -5.458 -13.886 -0.106 1.00 0.00 C ATOM 528 C LEU A 34 -6.758 -13.099 -0.234 1.00 0.00 C ATOM 529 O LEU A 34 -6.863 -12.147 -1.008 1.00 0.00 O ATOM 530 CB LEU A 34 -5.681 -15.336 -0.541 1.00 0.00 C ATOM 531 CG LEU A 34 -6.836 -15.575 -1.513 1.00 0.00 C ATOM 532 CD1 LEU A 34 -6.492 -15.038 -2.894 1.00 0.00 C ATOM 533 CD2 LEU A 34 -7.176 -17.057 -1.585 1.00 0.00 C ATOM 0 H LEU A 34 -4.837 -14.756 1.699 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.712 -13.429 -0.756 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -4.763 -15.701 -1.002 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -5.852 -15.939 0.350 1.00 0.00 H new ATOM 0 HG LEU A 34 -7.711 -15.039 -1.145 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -7.326 -15.217 -3.572 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -6.300 -13.967 -2.830 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -5.603 -15.544 -3.270 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -8.000 -17.208 -2.282 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.304 -17.614 -1.928 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -7.467 -17.412 -0.596 1.00 0.00 H new ATOM 545 N PRO A 35 -7.774 -13.503 0.543 1.00 0.00 N ATOM 546 CA PRO A 35 -9.086 -12.848 0.536 1.00 0.00 C ATOM 547 C PRO A 35 -9.040 -11.453 1.152 1.00 0.00 C ATOM 548 O PRO A 35 -9.879 -10.605 0.851 1.00 0.00 O ATOM 549 CB PRO A 35 -9.953 -13.779 1.386 1.00 0.00 C ATOM 550 CG PRO A 35 -8.990 -14.480 2.281 1.00 0.00 C ATOM 551 CD PRO A 35 -7.721 -14.631 1.488 1.00 0.00 C ATOM 0 HA PRO A 35 -9.462 -12.700 -0.476 1.00 0.00 H new ATOM 0 HB2 PRO A 35 -10.691 -13.219 1.960 1.00 0.00 H new ATOM 0 HB3 PRO A 35 -10.502 -14.486 0.764 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -8.815 -13.907 3.191 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -9.377 -15.452 2.586 1.00 0.00 H new ATOM 0 HD2 PRO A 35 -6.839 -14.579 2.127 1.00 0.00 H new ATOM 0 HD3 PRO A 35 -7.683 -15.589 0.969 1.00 0.00 H new ATOM 559 N GLU A 36 -8.054 -11.224 2.014 1.00 0.00 N ATOM 560 CA GLU A 36 -7.901 -9.932 2.672 1.00 0.00 C ATOM 561 C GLU A 36 -7.375 -8.884 1.696 1.00 0.00 C ATOM 562 O GLU A 36 -7.848 -7.747 1.674 1.00 0.00 O ATOM 563 CB GLU A 36 -6.953 -10.053 3.867 1.00 0.00 C ATOM 564 CG GLU A 36 -7.560 -10.783 5.053 1.00 0.00 C ATOM 565 CD GLU A 36 -6.510 -11.345 5.992 1.00 0.00 C ATOM 566 OE1 GLU A 36 -5.613 -10.579 6.404 1.00 0.00 O ATOM 567 OE2 GLU A 36 -6.583 -12.549 6.314 1.00 0.00 O ATOM 0 H GLU A 36 -7.350 -11.916 2.273 1.00 0.00 H new ATOM 0 HA GLU A 36 -8.882 -9.614 3.026 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -6.050 -10.576 3.552 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -6.650 -9.055 4.182 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -8.206 -10.099 5.604 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.190 -11.595 4.691 1.00 0.00 H new ATOM 574 N ARG A 37 -6.393 -9.274 0.890 1.00 0.00 N ATOM 575 CA ARG A 37 -5.801 -8.369 -0.088 1.00 0.00 C ATOM 576 C ARG A 37 -6.846 -7.898 -1.095 1.00 0.00 C ATOM 577 O ARG A 37 -6.916 -6.714 -1.424 1.00 0.00 O ATOM 578 CB ARG A 37 -4.646 -9.057 -0.818 1.00 0.00 C ATOM 579 CG ARG A 37 -3.599 -8.091 -1.347 1.00 0.00 C ATOM 580 CD ARG A 37 -2.216 -8.723 -1.365 1.00 0.00 C ATOM 581 NE ARG A 37 -1.785 -9.133 -0.031 1.00 0.00 N ATOM 582 CZ ARG A 37 -0.510 -9.260 0.322 1.00 0.00 C ATOM 583 NH1 ARG A 37 0.452 -9.011 -0.554 1.00 0.00 N ATOM 584 NH2 ARG A 37 -0.197 -9.638 1.555 1.00 0.00 N ATOM 0 H ARG A 37 -5.990 -10.211 0.895 1.00 0.00 H new ATOM 0 HA ARG A 37 -5.417 -7.499 0.445 1.00 0.00 H new ATOM 0 HB2 ARG A 37 -4.167 -9.763 -0.139 1.00 0.00 H new ATOM 0 HB3 ARG A 37 -5.047 -9.637 -1.650 1.00 0.00 H new ATOM 0 HG2 ARG A 37 -3.869 -7.776 -2.355 1.00 0.00 H new ATOM 0 HG3 ARG A 37 -3.583 -7.195 -0.727 1.00 0.00 H new ATOM 0 HD2 ARG A 37 -2.222 -9.589 -2.026 1.00 0.00 H new ATOM 0 HD3 ARG A 37 -1.498 -8.013 -1.776 1.00 0.00 H new ATOM 0 HE ARG A 37 -2.501 -9.333 0.667 1.00 0.00 H new ATOM 0 HH11 ARG A 37 0.215 -8.721 -1.503 1.00 0.00 H new ATOM 0 HH12 ARG A 37 1.429 -9.109 -0.280 1.00 0.00 H new ATOM 0 HH21 ARG A 37 -0.935 -9.831 2.232 1.00 0.00 H new ATOM 0 HH22 ARG A 37 0.782 -9.735 1.826 1.00 0.00 H new ATOM 598 N ALA A 38 -7.655 -8.833 -1.582 1.00 0.00 N ATOM 599 CA ALA A 38 -8.697 -8.514 -2.550 1.00 0.00 C ATOM 600 C ALA A 38 -9.647 -7.453 -2.005 1.00 0.00 C ATOM 601 O ALA A 38 -10.038 -6.531 -2.720 1.00 0.00 O ATOM 602 CB ALA A 38 -9.467 -9.770 -2.930 1.00 0.00 C ATOM 0 H ALA A 38 -7.609 -9.818 -1.322 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.218 -8.111 -3.442 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -10.242 -9.517 -3.653 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -8.784 -10.497 -3.370 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -9.928 -10.198 -2.040 1.00 0.00 H new ATOM 608 N GLU A 39 -10.014 -7.590 -0.735 1.00 0.00 N ATOM 609 CA GLU A 39 -10.920 -6.644 -0.095 1.00 0.00 C ATOM 610 C GLU A 39 -10.525 -5.206 -0.423 1.00 0.00 C ATOM 611 O GLU A 39 -11.359 -4.399 -0.833 1.00 0.00 O ATOM 612 CB GLU A 39 -10.923 -6.850 1.421 1.00 0.00 C ATOM 613 CG GLU A 39 -11.690 -8.084 1.865 1.00 0.00 C ATOM 614 CD GLU A 39 -13.129 -8.080 1.386 1.00 0.00 C ATOM 615 OE1 GLU A 39 -13.921 -7.258 1.891 1.00 0.00 O ATOM 616 OE2 GLU A 39 -13.462 -8.901 0.505 1.00 0.00 O ATOM 0 H GLU A 39 -9.698 -8.347 -0.129 1.00 0.00 H new ATOM 0 HA GLU A 39 -11.924 -6.825 -0.480 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -9.894 -6.927 1.771 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -11.357 -5.971 1.898 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -11.188 -8.975 1.488 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -11.673 -8.146 2.953 1.00 0.00 H new ATOM 623 N LEU A 40 -9.247 -4.894 -0.238 1.00 0.00 N ATOM 624 CA LEU A 40 -8.739 -3.555 -0.513 1.00 0.00 C ATOM 625 C LEU A 40 -8.900 -3.203 -1.989 1.00 0.00 C ATOM 626 O LEU A 40 -9.040 -2.034 -2.347 1.00 0.00 O ATOM 627 CB LEU A 40 -7.267 -3.453 -0.111 1.00 0.00 C ATOM 628 CG LEU A 40 -6.885 -4.117 1.213 1.00 0.00 C ATOM 629 CD1 LEU A 40 -5.420 -3.865 1.533 1.00 0.00 C ATOM 630 CD2 LEU A 40 -7.774 -3.610 2.339 1.00 0.00 C ATOM 0 H LEU A 40 -8.544 -5.550 0.101 1.00 0.00 H new ATOM 0 HA LEU A 40 -9.320 -2.846 0.076 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -6.663 -3.895 -0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.998 -2.398 -0.056 1.00 0.00 H new ATOM 0 HG LEU A 40 -7.034 -5.192 1.115 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -5.166 -4.345 2.478 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -4.798 -4.277 0.738 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.244 -2.792 1.612 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -7.488 -4.093 3.274 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -7.657 -2.531 2.437 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -8.815 -3.843 2.114 1.00 0.00 H new ATOM 642 N ALA A 41 -8.882 -4.224 -2.840 1.00 0.00 N ATOM 643 CA ALA A 41 -9.031 -4.023 -4.276 1.00 0.00 C ATOM 644 C ALA A 41 -10.501 -4.004 -4.679 1.00 0.00 C ATOM 645 O ALA A 41 -10.848 -3.580 -5.781 1.00 0.00 O ATOM 646 CB ALA A 41 -8.287 -5.108 -5.040 1.00 0.00 C ATOM 0 H ALA A 41 -8.766 -5.198 -2.560 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.600 -3.054 -4.529 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -8.407 -4.946 -6.111 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.228 -5.073 -4.784 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -8.692 -6.084 -4.773 1.00 0.00 H new ATOM 652 N ALA A 42 -11.363 -4.467 -3.778 1.00 0.00 N ATOM 653 CA ALA A 42 -12.796 -4.501 -4.040 1.00 0.00 C ATOM 654 C ALA A 42 -13.496 -3.294 -3.424 1.00 0.00 C ATOM 655 O ALA A 42 -14.503 -2.816 -3.945 1.00 0.00 O ATOM 656 CB ALA A 42 -13.399 -5.792 -3.506 1.00 0.00 C ATOM 0 H ALA A 42 -11.093 -4.823 -2.861 1.00 0.00 H new ATOM 0 HA ALA A 42 -12.944 -4.462 -5.119 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -14.470 -5.804 -3.708 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -12.927 -6.644 -3.996 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.232 -5.854 -2.431 1.00 0.00 H new ATOM 662 N SER A 43 -12.955 -2.807 -2.312 1.00 0.00 N ATOM 663 CA SER A 43 -13.531 -1.658 -1.622 1.00 0.00 C ATOM 664 C SER A 43 -12.898 -0.358 -2.111 1.00 0.00 C ATOM 665 O SER A 43 -13.597 0.573 -2.513 1.00 0.00 O ATOM 666 CB SER A 43 -13.339 -1.795 -0.111 1.00 0.00 C ATOM 667 OG SER A 43 -13.968 -0.730 0.582 1.00 0.00 O ATOM 0 H SER A 43 -12.119 -3.190 -1.870 1.00 0.00 H new ATOM 0 HA SER A 43 -14.598 -1.629 -1.844 1.00 0.00 H new ATOM 0 HB2 SER A 43 -13.751 -2.746 0.226 1.00 0.00 H new ATOM 0 HB3 SER A 43 -12.275 -1.807 0.124 1.00 0.00 H new ATOM 0 HG SER A 43 -13.832 -0.842 1.546 1.00 0.00 H new ATOM 673 N LEU A 44 -11.572 -0.303 -2.073 1.00 0.00 N ATOM 674 CA LEU A 44 -10.843 0.882 -2.512 1.00 0.00 C ATOM 675 C LEU A 44 -10.980 1.079 -4.019 1.00 0.00 C ATOM 676 O LEU A 44 -10.797 2.183 -4.530 1.00 0.00 O ATOM 677 CB LEU A 44 -9.365 0.765 -2.134 1.00 0.00 C ATOM 678 CG LEU A 44 -9.071 0.235 -0.730 1.00 0.00 C ATOM 679 CD1 LEU A 44 -7.572 0.110 -0.509 1.00 0.00 C ATOM 680 CD2 LEU A 44 -9.694 1.141 0.323 1.00 0.00 C ATOM 0 H LEU A 44 -10.979 -1.065 -1.743 1.00 0.00 H new ATOM 0 HA LEU A 44 -11.273 1.749 -2.010 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -8.876 0.112 -2.857 1.00 0.00 H new ATOM 0 HB3 LEU A 44 -8.906 1.749 -2.233 1.00 0.00 H new ATOM 0 HG LEU A 44 -9.514 -0.756 -0.636 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -7.383 -0.269 0.495 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -7.152 -0.579 -1.242 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -7.105 1.088 -0.622 1.00 0.00 H new ATOM 0 HD21 LEU A 44 -9.475 0.749 1.316 1.00 0.00 H new ATOM 0 HD22 LEU A 44 -9.280 2.145 0.230 1.00 0.00 H new ATOM 0 HD23 LEU A 44 -10.774 1.179 0.178 1.00 0.00 H new ATOM 692 N GLY A 45 -11.305 0.000 -4.724 1.00 0.00 N ATOM 693 CA GLY A 45 -11.463 0.075 -6.165 1.00 0.00 C ATOM 694 C GLY A 45 -10.168 -0.194 -6.905 1.00 0.00 C ATOM 695 O GLY A 45 -10.042 0.127 -8.088 1.00 0.00 O ATOM 0 H GLY A 45 -11.462 -0.925 -4.323 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -12.216 -0.646 -6.483 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -11.834 1.064 -6.436 1.00 0.00 H new ATOM 699 N LEU A 46 -9.203 -0.784 -6.210 1.00 0.00 N ATOM 700 CA LEU A 46 -7.909 -1.096 -6.808 1.00 0.00 C ATOM 701 C LEU A 46 -7.805 -2.582 -7.135 1.00 0.00 C ATOM 702 O LEU A 46 -8.739 -3.349 -6.900 1.00 0.00 O ATOM 703 CB LEU A 46 -6.777 -0.689 -5.864 1.00 0.00 C ATOM 704 CG LEU A 46 -6.794 0.762 -5.382 1.00 0.00 C ATOM 705 CD1 LEU A 46 -6.181 0.871 -3.994 1.00 0.00 C ATOM 706 CD2 LEU A 46 -6.054 1.659 -6.365 1.00 0.00 C ATOM 0 H LEU A 46 -9.291 -1.056 -5.231 1.00 0.00 H new ATOM 0 HA LEU A 46 -7.820 -0.531 -7.736 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -6.807 -1.341 -4.991 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -5.828 -0.873 -6.367 1.00 0.00 H new ATOM 0 HG LEU A 46 -7.831 1.094 -5.326 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -6.202 1.911 -3.668 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -6.752 0.260 -3.295 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -5.149 0.521 -4.023 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -6.076 2.688 -6.006 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.019 1.327 -6.452 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -6.536 1.605 -7.341 1.00 0.00 H new ATOM 718 N THR A 47 -6.660 -2.984 -7.678 1.00 0.00 N ATOM 719 CA THR A 47 -6.432 -4.378 -8.037 1.00 0.00 C ATOM 720 C THR A 47 -5.326 -4.991 -7.185 1.00 0.00 C ATOM 721 O THR A 47 -4.375 -4.310 -6.803 1.00 0.00 O ATOM 722 CB THR A 47 -6.058 -4.522 -9.524 1.00 0.00 C ATOM 723 OG1 THR A 47 -5.738 -5.886 -9.819 1.00 0.00 O ATOM 724 CG2 THR A 47 -4.874 -3.632 -9.873 1.00 0.00 C ATOM 0 H THR A 47 -5.876 -2.363 -7.879 1.00 0.00 H new ATOM 0 HA THR A 47 -7.366 -4.908 -7.852 1.00 0.00 H new ATOM 0 HB THR A 47 -6.915 -4.212 -10.123 1.00 0.00 H new ATOM 0 HG1 THR A 47 -5.503 -5.969 -10.767 1.00 0.00 H new ATOM 0 HG21 THR A 47 -4.628 -3.751 -10.928 1.00 0.00 H new ATOM 0 HG22 THR A 47 -5.130 -2.591 -9.675 1.00 0.00 H new ATOM 0 HG23 THR A 47 -4.014 -3.916 -9.266 1.00 0.00 H new ATOM 732 N GLN A 48 -5.458 -6.281 -6.891 1.00 0.00 N ATOM 733 CA GLN A 48 -4.468 -6.985 -6.084 1.00 0.00 C ATOM 734 C GLN A 48 -3.052 -6.608 -6.508 1.00 0.00 C ATOM 735 O GLN A 48 -2.170 -6.421 -5.669 1.00 0.00 O ATOM 736 CB GLN A 48 -4.664 -8.497 -6.204 1.00 0.00 C ATOM 737 CG GLN A 48 -6.000 -8.982 -5.665 1.00 0.00 C ATOM 738 CD GLN A 48 -6.506 -10.218 -6.384 1.00 0.00 C ATOM 739 OE1 GLN A 48 -6.576 -10.250 -7.613 1.00 0.00 O ATOM 740 NE2 GLN A 48 -6.861 -11.244 -5.619 1.00 0.00 N ATOM 0 H GLN A 48 -6.240 -6.859 -7.199 1.00 0.00 H new ATOM 0 HA GLN A 48 -4.607 -6.689 -5.044 1.00 0.00 H new ATOM 0 HB2 GLN A 48 -4.579 -8.784 -7.252 1.00 0.00 H new ATOM 0 HB3 GLN A 48 -3.860 -9.003 -5.669 1.00 0.00 H new ATOM 0 HG2 GLN A 48 -5.901 -9.200 -4.602 1.00 0.00 H new ATOM 0 HG3 GLN A 48 -6.737 -8.184 -5.759 1.00 0.00 H new ATOM 0 HE21 GLN A 48 -6.786 -11.173 -4.604 1.00 0.00 H new ATOM 0 HE22 GLN A 48 -7.208 -12.103 -6.046 1.00 0.00 H new ATOM 749 N THR A 49 -2.841 -6.499 -7.816 1.00 0.00 N ATOM 750 CA THR A 49 -1.532 -6.146 -8.351 1.00 0.00 C ATOM 751 C THR A 49 -1.034 -4.831 -7.764 1.00 0.00 C ATOM 752 O THR A 49 0.160 -4.664 -7.516 1.00 0.00 O ATOM 753 CB THR A 49 -1.566 -6.030 -9.887 1.00 0.00 C ATOM 754 OG1 THR A 49 -1.981 -7.273 -10.463 1.00 0.00 O ATOM 755 CG2 THR A 49 -0.198 -5.645 -10.431 1.00 0.00 C ATOM 0 H THR A 49 -3.560 -6.650 -8.524 1.00 0.00 H new ATOM 0 HA THR A 49 -0.849 -6.947 -8.069 1.00 0.00 H new ATOM 0 HB THR A 49 -2.279 -5.250 -10.155 1.00 0.00 H new ATOM 0 HG1 THR A 49 -2.002 -7.190 -11.439 1.00 0.00 H new ATOM 0 HG21 THR A 49 -0.247 -5.569 -11.517 1.00 0.00 H new ATOM 0 HG22 THR A 49 0.102 -4.684 -10.013 1.00 0.00 H new ATOM 0 HG23 THR A 49 0.531 -6.406 -10.153 1.00 0.00 H new ATOM 763 N GLN A 50 -1.956 -3.900 -7.544 1.00 0.00 N ATOM 764 CA GLN A 50 -1.609 -2.598 -6.985 1.00 0.00 C ATOM 765 C GLN A 50 -1.489 -2.672 -5.467 1.00 0.00 C ATOM 766 O GLN A 50 -0.502 -2.216 -4.889 1.00 0.00 O ATOM 767 CB GLN A 50 -2.659 -1.556 -7.375 1.00 0.00 C ATOM 768 CG GLN A 50 -2.580 -1.129 -8.832 1.00 0.00 C ATOM 769 CD GLN A 50 -3.331 0.160 -9.104 1.00 0.00 C ATOM 770 OE1 GLN A 50 -4.554 0.160 -9.248 1.00 0.00 O ATOM 771 NE2 GLN A 50 -2.601 1.267 -9.176 1.00 0.00 N ATOM 0 H GLN A 50 -2.949 -4.022 -7.744 1.00 0.00 H new ATOM 0 HA GLN A 50 -0.643 -2.301 -7.394 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -3.652 -1.961 -7.177 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -2.540 -0.678 -6.741 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -1.535 -1.002 -9.113 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -2.986 -1.921 -9.461 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -1.590 1.220 -9.050 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -3.051 2.164 -9.357 1.00 0.00 H new ATOM 780 N VAL A 51 -2.500 -3.248 -4.825 1.00 0.00 N ATOM 781 CA VAL A 51 -2.507 -3.382 -3.373 1.00 0.00 C ATOM 782 C VAL A 51 -1.376 -4.288 -2.899 1.00 0.00 C ATOM 783 O VAL A 51 -0.930 -4.197 -1.756 1.00 0.00 O ATOM 784 CB VAL A 51 -3.848 -3.947 -2.868 1.00 0.00 C ATOM 785 CG1 VAL A 51 -3.675 -4.594 -1.503 1.00 0.00 C ATOM 786 CG2 VAL A 51 -4.903 -2.852 -2.818 1.00 0.00 C ATOM 0 H VAL A 51 -3.325 -3.630 -5.288 1.00 0.00 H new ATOM 0 HA VAL A 51 -2.364 -2.382 -2.962 1.00 0.00 H new ATOM 0 HB VAL A 51 -4.185 -4.713 -3.566 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -4.633 -4.987 -1.163 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -2.954 -5.408 -1.575 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -3.314 -3.851 -0.791 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -5.844 -3.269 -2.459 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -4.575 -2.062 -2.143 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -5.047 -2.439 -3.817 1.00 0.00 H new ATOM 796 N LYS A 52 -0.915 -5.163 -3.787 1.00 0.00 N ATOM 797 CA LYS A 52 0.166 -6.086 -3.462 1.00 0.00 C ATOM 798 C LYS A 52 1.492 -5.344 -3.325 1.00 0.00 C ATOM 799 O LYS A 52 2.234 -5.553 -2.365 1.00 0.00 O ATOM 800 CB LYS A 52 0.283 -7.167 -4.539 1.00 0.00 C ATOM 801 CG LYS A 52 -0.585 -8.385 -4.275 1.00 0.00 C ATOM 802 CD LYS A 52 -0.293 -9.502 -5.263 1.00 0.00 C ATOM 803 CE LYS A 52 -0.501 -9.045 -6.698 1.00 0.00 C ATOM 804 NZ LYS A 52 0.730 -8.433 -7.270 1.00 0.00 N ATOM 0 H LYS A 52 -1.274 -5.252 -4.738 1.00 0.00 H new ATOM 0 HA LYS A 52 -0.067 -6.557 -2.507 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.010 -6.738 -5.503 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.324 -7.482 -4.614 1.00 0.00 H new ATOM 0 HG2 LYS A 52 -0.413 -8.742 -3.260 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.636 -8.105 -4.341 1.00 0.00 H new ATOM 0 HD2 LYS A 52 0.734 -9.844 -5.134 1.00 0.00 H new ATOM 0 HD3 LYS A 52 -0.941 -10.353 -5.054 1.00 0.00 H new ATOM 0 HE2 LYS A 52 -0.802 -9.896 -7.310 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -1.316 -8.322 -6.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 0.771 -8.625 -8.291 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 0.713 -7.405 -7.111 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 1.568 -8.841 -6.808 1.00 0.00 H new ATOM 818 N ILE A 53 1.781 -4.477 -4.289 1.00 0.00 N ATOM 819 CA ILE A 53 3.016 -3.703 -4.273 1.00 0.00 C ATOM 820 C ILE A 53 2.991 -2.650 -3.171 1.00 0.00 C ATOM 821 O ILE A 53 3.991 -2.429 -2.486 1.00 0.00 O ATOM 822 CB ILE A 53 3.262 -3.008 -5.625 1.00 0.00 C ATOM 823 CG1 ILE A 53 3.280 -4.038 -6.757 1.00 0.00 C ATOM 824 CG2 ILE A 53 4.568 -2.229 -5.591 1.00 0.00 C ATOM 825 CD1 ILE A 53 3.270 -3.419 -8.137 1.00 0.00 C ATOM 0 H ILE A 53 1.177 -4.293 -5.090 1.00 0.00 H new ATOM 0 HA ILE A 53 3.826 -4.406 -4.082 1.00 0.00 H new ATOM 0 HB ILE A 53 2.448 -2.307 -5.809 1.00 0.00 H new ATOM 0 HG12 ILE A 53 4.167 -4.663 -6.654 1.00 0.00 H new ATOM 0 HG13 ILE A 53 2.415 -4.693 -6.655 1.00 0.00 H new ATOM 0 HG21 ILE A 53 4.727 -1.744 -6.554 1.00 0.00 H new ATOM 0 HG22 ILE A 53 4.520 -1.473 -4.807 1.00 0.00 H new ATOM 0 HG23 ILE A 53 5.393 -2.911 -5.388 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.284 -4.207 -8.890 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.370 -2.817 -8.259 1.00 0.00 H new ATOM 0 HD13 ILE A 53 4.149 -2.786 -8.258 1.00 0.00 H new ATOM 837 N TRP A 54 1.843 -2.005 -3.003 1.00 0.00 N ATOM 838 CA TRP A 54 1.687 -0.976 -1.981 1.00 0.00 C ATOM 839 C TRP A 54 2.056 -1.515 -0.604 1.00 0.00 C ATOM 840 O TRP A 54 2.594 -0.791 0.234 1.00 0.00 O ATOM 841 CB TRP A 54 0.249 -0.453 -1.969 1.00 0.00 C ATOM 842 CG TRP A 54 0.061 0.748 -1.093 1.00 0.00 C ATOM 843 CD1 TRP A 54 -0.121 2.039 -1.501 1.00 0.00 C ATOM 844 CD2 TRP A 54 0.038 0.770 0.338 1.00 0.00 C ATOM 845 NE1 TRP A 54 -0.256 2.862 -0.408 1.00 0.00 N ATOM 846 CE2 TRP A 54 -0.163 2.108 0.731 1.00 0.00 C ATOM 847 CE3 TRP A 54 0.166 -0.210 1.326 1.00 0.00 C ATOM 848 CZ2 TRP A 54 -0.237 2.487 2.069 1.00 0.00 C ATOM 849 CZ3 TRP A 54 0.092 0.168 2.653 1.00 0.00 C ATOM 850 CH2 TRP A 54 -0.108 1.507 3.015 1.00 0.00 C ATOM 0 H TRP A 54 1.006 -2.176 -3.561 1.00 0.00 H new ATOM 0 HA TRP A 54 2.363 -0.155 -2.222 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -0.047 -0.201 -2.987 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -0.416 -1.248 -1.631 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -0.154 2.365 -2.530 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -0.402 3.871 -0.440 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.320 -1.245 1.057 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -0.391 3.518 2.350 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 0.190 -0.581 3.425 1.00 0.00 H new ATOM 0 HH2 TRP A 54 -0.161 1.770 4.061 1.00 0.00 H new ATOM 861 N PHE A 55 1.764 -2.792 -0.375 1.00 0.00 N ATOM 862 CA PHE A 55 2.065 -3.428 0.902 1.00 0.00 C ATOM 863 C PHE A 55 3.496 -3.959 0.921 1.00 0.00 C ATOM 864 O PHE A 55 4.121 -4.047 1.977 1.00 0.00 O ATOM 865 CB PHE A 55 1.082 -4.569 1.171 1.00 0.00 C ATOM 866 CG PHE A 55 -0.149 -4.137 1.915 1.00 0.00 C ATOM 867 CD1 PHE A 55 -1.164 -3.455 1.265 1.00 0.00 C ATOM 868 CD2 PHE A 55 -0.291 -4.413 3.266 1.00 0.00 C ATOM 869 CE1 PHE A 55 -2.297 -3.055 1.947 1.00 0.00 C ATOM 870 CE2 PHE A 55 -1.422 -4.016 3.954 1.00 0.00 C ATOM 871 CZ PHE A 55 -2.427 -3.337 3.293 1.00 0.00 C ATOM 0 H PHE A 55 1.319 -3.406 -1.057 1.00 0.00 H new ATOM 0 HA PHE A 55 1.964 -2.678 1.686 1.00 0.00 H new ATOM 0 HB2 PHE A 55 0.785 -5.014 0.221 1.00 0.00 H new ATOM 0 HB3 PHE A 55 1.588 -5.347 1.743 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -1.069 -3.233 0.212 1.00 0.00 H new ATOM 0 HD2 PHE A 55 0.491 -4.945 3.787 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -3.080 -2.522 1.428 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -1.520 -4.236 5.007 1.00 0.00 H new ATOM 0 HZ PHE A 55 -3.313 -3.027 3.828 1.00 0.00 H new ATOM 881 N GLN A 56 4.005 -4.312 -0.255 1.00 0.00 N ATOM 882 CA GLN A 56 5.361 -4.835 -0.373 1.00 0.00 C ATOM 883 C GLN A 56 6.391 -3.729 -0.172 1.00 0.00 C ATOM 884 O GLN A 56 7.156 -3.747 0.791 1.00 0.00 O ATOM 885 CB GLN A 56 5.560 -5.492 -1.740 1.00 0.00 C ATOM 886 CG GLN A 56 6.975 -5.994 -1.974 1.00 0.00 C ATOM 887 CD GLN A 56 7.031 -7.148 -2.956 1.00 0.00 C ATOM 888 OE1 GLN A 56 6.530 -8.238 -2.678 1.00 0.00 O ATOM 889 NE2 GLN A 56 7.641 -6.913 -4.112 1.00 0.00 N ATOM 0 H GLN A 56 3.500 -4.245 -1.138 1.00 0.00 H new ATOM 0 HA GLN A 56 5.503 -5.584 0.406 1.00 0.00 H new ATOM 0 HB2 GLN A 56 4.867 -6.327 -1.837 1.00 0.00 H new ATOM 0 HB3 GLN A 56 5.305 -4.774 -2.519 1.00 0.00 H new ATOM 0 HG2 GLN A 56 7.590 -5.175 -2.347 1.00 0.00 H new ATOM 0 HG3 GLN A 56 7.406 -6.309 -1.024 1.00 0.00 H new ATOM 0 HE21 GLN A 56 8.042 -5.994 -4.300 1.00 0.00 H new ATOM 0 HE22 GLN A 56 7.709 -7.651 -4.812 1.00 0.00 H new ATOM 898 N ASN A 57 6.405 -2.767 -1.089 1.00 0.00 N ATOM 899 CA ASN A 57 7.342 -1.652 -1.014 1.00 0.00 C ATOM 900 C ASN A 57 7.239 -0.945 0.334 1.00 0.00 C ATOM 901 O ASN A 57 8.214 -0.376 0.826 1.00 0.00 O ATOM 902 CB ASN A 57 7.076 -0.657 -2.145 1.00 0.00 C ATOM 903 CG ASN A 57 7.792 -1.036 -3.428 1.00 0.00 C ATOM 904 OD1 ASN A 57 8.491 -0.218 -4.027 1.00 0.00 O ATOM 905 ND2 ASN A 57 7.620 -2.281 -3.855 1.00 0.00 N ATOM 0 H ASN A 57 5.778 -2.737 -1.893 1.00 0.00 H new ATOM 0 HA ASN A 57 8.351 -2.051 -1.120 1.00 0.00 H new ATOM 0 HB2 ASN A 57 6.004 -0.603 -2.333 1.00 0.00 H new ATOM 0 HB3 ASN A 57 7.396 0.337 -1.833 1.00 0.00 H new ATOM 0 HD21 ASN A 57 8.076 -2.594 -4.712 1.00 0.00 H new ATOM 0 HD22 ASN A 57 7.032 -2.925 -3.326 1.00 0.00 H new ATOM 912 N LYS A 58 6.051 -0.985 0.928 1.00 0.00 N ATOM 913 CA LYS A 58 5.818 -0.351 2.220 1.00 0.00 C ATOM 914 C LYS A 58 6.546 -1.099 3.332 1.00 0.00 C ATOM 915 O LYS A 58 7.205 -0.490 4.175 1.00 0.00 O ATOM 916 CB LYS A 58 4.319 -0.297 2.523 1.00 0.00 C ATOM 917 CG LYS A 58 3.653 0.990 2.070 1.00 0.00 C ATOM 918 CD LYS A 58 3.951 2.137 3.022 1.00 0.00 C ATOM 919 CE LYS A 58 3.018 2.122 4.223 1.00 0.00 C ATOM 920 NZ LYS A 58 3.539 2.957 5.340 1.00 0.00 N ATOM 0 H LYS A 58 5.233 -1.451 0.534 1.00 0.00 H new ATOM 0 HA LYS A 58 6.209 0.665 2.173 1.00 0.00 H new ATOM 0 HB2 LYS A 58 3.828 -1.141 2.038 1.00 0.00 H new ATOM 0 HB3 LYS A 58 4.169 -0.415 3.596 1.00 0.00 H new ATOM 0 HG2 LYS A 58 3.999 1.247 1.069 1.00 0.00 H new ATOM 0 HG3 LYS A 58 2.575 0.840 2.006 1.00 0.00 H new ATOM 0 HD2 LYS A 58 4.984 2.070 3.362 1.00 0.00 H new ATOM 0 HD3 LYS A 58 3.850 3.085 2.494 1.00 0.00 H new ATOM 0 HE2 LYS A 58 2.035 2.487 3.924 1.00 0.00 H new ATOM 0 HE3 LYS A 58 2.886 1.096 4.567 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 3.728 2.354 6.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 4.420 3.423 5.043 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.834 3.678 5.592 1.00 0.00 H new ATOM 934 N ARG A 59 6.424 -2.423 3.327 1.00 0.00 N ATOM 935 CA ARG A 59 7.070 -3.254 4.336 1.00 0.00 C ATOM 936 C ARG A 59 8.584 -3.065 4.306 1.00 0.00 C ATOM 937 O ARG A 59 9.219 -2.895 5.347 1.00 0.00 O ATOM 938 CB ARG A 59 6.724 -4.727 4.111 1.00 0.00 C ATOM 939 CG ARG A 59 5.380 -5.132 4.692 1.00 0.00 C ATOM 940 CD ARG A 59 5.032 -6.571 4.341 1.00 0.00 C ATOM 941 NE ARG A 59 5.348 -6.886 2.951 1.00 0.00 N ATOM 942 CZ ARG A 59 6.546 -7.288 2.542 1.00 0.00 C ATOM 943 NH1 ARG A 59 7.537 -7.422 3.414 1.00 0.00 N ATOM 944 NH2 ARG A 59 6.756 -7.556 1.260 1.00 0.00 N ATOM 0 H ARG A 59 5.884 -2.943 2.635 1.00 0.00 H new ATOM 0 HA ARG A 59 6.702 -2.947 5.315 1.00 0.00 H new ATOM 0 HB2 ARG A 59 6.724 -4.932 3.040 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.504 -5.346 4.554 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.401 -5.015 5.776 1.00 0.00 H new ATOM 0 HG3 ARG A 59 4.604 -4.466 4.315 1.00 0.00 H new ATOM 0 HD2 ARG A 59 5.578 -7.247 4.999 1.00 0.00 H new ATOM 0 HD3 ARG A 59 3.970 -6.741 4.519 1.00 0.00 H new ATOM 0 HE ARG A 59 4.608 -6.792 2.255 1.00 0.00 H new ATOM 0 HH11 ARG A 59 7.380 -7.216 4.401 1.00 0.00 H new ATOM 0 HH12 ARG A 59 8.456 -7.731 3.098 1.00 0.00 H new ATOM 0 HH21 ARG A 59 5.997 -7.453 0.587 1.00 0.00 H new ATOM 0 HH22 ARG A 59 7.677 -7.865 0.948 1.00 0.00 H new