USER MOD reduce.3.24.130724 H: found=0, std=0, add=385, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 386 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 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.105 K(o=-0.1,f=-2.3!) USER MOD Single : A 19 GLN : amide:sc= -0.183 K(o=-0.18,f=-1.7!) USER MOD Single : A 22 LYS NZ :NH3+ 151:sc=-0.00822 (180deg=-1.02) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 THR OG1 : rot 76:sc= 0.0123 USER MOD Single : A 28 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= -0.0119 USER MOD Single : A 34 GLN : amide:sc= -0.197 K(o=-0.2,f=-1) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 SER OG : rot 64:sc= 0.267 USER MOD Single : A 41 GLN : amide:sc= 0 X(o=0,f=0.046) USER MOD Single : A 46 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 51 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.049) USER MOD Single : A 55 GLN : amide:sc= -0.183 X(o=-0.18,f=-0.18) USER MOD Single : A 56 ASN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 182 N PHE A 13 8.640 -0.575 -6.792 1.00 0.00 N ATOM 183 CA PHE A 13 8.478 0.650 -6.051 1.00 0.00 C ATOM 184 C PHE A 13 9.814 1.330 -6.088 1.00 0.00 C ATOM 185 O PHE A 13 10.812 0.746 -6.509 1.00 0.00 O ATOM 186 CB PHE A 13 8.128 0.433 -4.554 1.00 0.00 C ATOM 187 CG PHE A 13 6.780 -0.212 -4.385 1.00 0.00 C ATOM 188 CD1 PHE A 13 6.633 -1.612 -4.370 1.00 0.00 C ATOM 189 CD2 PHE A 13 5.640 0.588 -4.213 1.00 0.00 C ATOM 190 CE1 PHE A 13 5.366 -2.194 -4.226 1.00 0.00 C ATOM 191 CE2 PHE A 13 4.383 0.002 -4.038 1.00 0.00 C ATOM 192 CZ PHE A 13 4.241 -1.384 -4.056 1.00 0.00 C ATOM 0 HA PHE A 13 7.660 1.214 -6.498 1.00 0.00 H new ATOM 0 HB2 PHE A 13 8.891 -0.191 -4.089 1.00 0.00 H new ATOM 0 HB3 PHE A 13 8.140 1.391 -4.035 1.00 0.00 H new ATOM 0 HD1 PHE A 13 7.504 -2.243 -4.470 1.00 0.00 H new ATOM 0 HD2 PHE A 13 5.734 1.664 -4.216 1.00 0.00 H new ATOM 0 HE1 PHE A 13 5.260 -3.269 -4.247 1.00 0.00 H new ATOM 0 HE2 PHE A 13 3.516 0.628 -3.888 1.00 0.00 H new ATOM 0 HZ PHE A 13 3.265 -1.830 -3.939 1.00 0.00 H new ATOM 202 N THR A 14 9.850 2.598 -5.615 1.00 0.00 N ATOM 203 CA THR A 14 11.068 3.330 -5.359 1.00 0.00 C ATOM 204 C THR A 14 11.143 3.451 -3.860 1.00 0.00 C ATOM 205 O THR A 14 10.283 2.941 -3.147 1.00 0.00 O ATOM 206 CB THR A 14 11.139 4.691 -6.047 1.00 0.00 C ATOM 207 OG1 THR A 14 10.047 5.536 -5.696 1.00 0.00 O ATOM 208 CG2 THR A 14 11.162 4.484 -7.577 1.00 0.00 C ATOM 0 H THR A 14 9.007 3.132 -5.404 1.00 0.00 H new ATOM 0 HA THR A 14 11.922 2.799 -5.779 1.00 0.00 H new ATOM 0 HB THR A 14 12.051 5.185 -5.711 1.00 0.00 H new ATOM 0 HG1 THR A 14 10.136 6.395 -6.159 1.00 0.00 H new ATOM 0 HG21 THR A 14 11.213 5.453 -8.074 1.00 0.00 H new ATOM 0 HG22 THR A 14 12.034 3.889 -7.851 1.00 0.00 H new ATOM 0 HG23 THR A 14 10.256 3.964 -7.887 1.00 0.00 H new ATOM 216 N ALA A 15 12.189 4.133 -3.341 1.00 0.00 N ATOM 217 CA ALA A 15 12.439 4.277 -1.925 1.00 0.00 C ATOM 218 C ALA A 15 11.423 5.186 -1.278 1.00 0.00 C ATOM 219 O ALA A 15 11.065 4.996 -0.118 1.00 0.00 O ATOM 220 CB ALA A 15 13.837 4.862 -1.650 1.00 0.00 C ATOM 0 H ALA A 15 12.885 4.600 -3.922 1.00 0.00 H new ATOM 0 HA ALA A 15 12.369 3.275 -1.502 1.00 0.00 H new ATOM 0 HB1 ALA A 15 13.987 4.955 -0.574 1.00 0.00 H new ATOM 0 HB2 ALA A 15 14.597 4.201 -2.067 1.00 0.00 H new ATOM 0 HB3 ALA A 15 13.918 5.845 -2.114 1.00 0.00 H new ATOM 226 N GLU A 16 10.931 6.186 -2.047 1.00 0.00 N ATOM 227 CA GLU A 16 10.004 7.196 -1.610 1.00 0.00 C ATOM 228 C GLU A 16 8.605 6.656 -1.499 1.00 0.00 C ATOM 229 O GLU A 16 7.789 7.179 -0.742 1.00 0.00 O ATOM 230 CB GLU A 16 9.965 8.366 -2.618 1.00 0.00 C ATOM 231 CG GLU A 16 11.326 9.068 -2.768 1.00 0.00 C ATOM 232 CD GLU A 16 11.197 10.236 -3.744 1.00 0.00 C ATOM 233 OE1 GLU A 16 10.886 9.977 -4.939 1.00 0.00 O ATOM 234 OE2 GLU A 16 11.408 11.399 -3.311 1.00 0.00 O ATOM 0 H GLU A 16 11.195 6.294 -3.026 1.00 0.00 H new ATOM 0 HA GLU A 16 10.349 7.532 -0.632 1.00 0.00 H new ATOM 0 HB2 GLU A 16 9.645 7.992 -3.590 1.00 0.00 H new ATOM 0 HB3 GLU A 16 9.220 9.093 -2.295 1.00 0.00 H new ATOM 0 HG2 GLU A 16 11.669 9.428 -1.798 1.00 0.00 H new ATOM 0 HG3 GLU A 16 12.073 8.361 -3.128 1.00 0.00 H new ATOM 241 N GLN A 17 8.299 5.587 -2.266 1.00 0.00 N ATOM 242 CA GLN A 17 6.983 5.007 -2.329 1.00 0.00 C ATOM 243 C GLN A 17 6.824 4.005 -1.222 1.00 0.00 C ATOM 244 O GLN A 17 5.792 3.991 -0.556 1.00 0.00 O ATOM 245 CB GLN A 17 6.705 4.360 -3.702 1.00 0.00 C ATOM 246 CG GLN A 17 6.679 5.416 -4.824 1.00 0.00 C ATOM 247 CD GLN A 17 6.365 4.762 -6.175 1.00 0.00 C ATOM 248 OE1 GLN A 17 7.013 3.786 -6.568 1.00 0.00 O ATOM 249 NE2 GLN A 17 5.354 5.331 -6.902 1.00 0.00 N ATOM 0 H GLN A 17 8.982 5.113 -2.857 1.00 0.00 H new ATOM 0 HA GLN A 17 6.251 5.804 -2.202 1.00 0.00 H new ATOM 0 HB2 GLN A 17 7.472 3.616 -3.918 1.00 0.00 H new ATOM 0 HB3 GLN A 17 5.751 3.835 -3.672 1.00 0.00 H new ATOM 0 HG2 GLN A 17 5.930 6.175 -4.599 1.00 0.00 H new ATOM 0 HG3 GLN A 17 7.642 5.924 -4.875 1.00 0.00 H new ATOM 0 HE21 GLN A 17 4.850 6.136 -6.531 1.00 0.00 H new ATOM 0 HE22 GLN A 17 5.105 4.949 -7.814 1.00 0.00 H new ATOM 258 N LEU A 18 7.865 3.170 -0.974 1.00 0.00 N ATOM 259 CA LEU A 18 7.893 2.151 0.053 1.00 0.00 C ATOM 260 C LEU A 18 7.673 2.716 1.431 1.00 0.00 C ATOM 261 O LEU A 18 6.833 2.207 2.168 1.00 0.00 O ATOM 262 CB LEU A 18 9.259 1.423 0.089 1.00 0.00 C ATOM 263 CG LEU A 18 9.522 0.480 -1.106 1.00 0.00 C ATOM 264 CD1 LEU A 18 11.000 0.049 -1.153 1.00 0.00 C ATOM 265 CD2 LEU A 18 8.596 -0.747 -1.109 1.00 0.00 C ATOM 0 H LEU A 18 8.729 3.206 -1.515 1.00 0.00 H new ATOM 0 HA LEU A 18 7.086 1.465 -0.205 1.00 0.00 H new ATOM 0 HB2 LEU A 18 10.052 2.170 0.126 1.00 0.00 H new ATOM 0 HB3 LEU A 18 9.323 0.845 1.011 1.00 0.00 H new ATOM 0 HG LEU A 18 9.295 1.049 -2.008 1.00 0.00 H new ATOM 0 HD11 LEU A 18 11.159 -0.614 -2.003 1.00 0.00 H new ATOM 0 HD12 LEU A 18 11.633 0.930 -1.257 1.00 0.00 H new ATOM 0 HD13 LEU A 18 11.256 -0.474 -0.232 1.00 0.00 H new ATOM 0 HD21 LEU A 18 8.826 -1.374 -1.971 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.747 -1.319 -0.193 1.00 0.00 H new ATOM 0 HD23 LEU A 18 7.558 -0.419 -1.165 1.00 0.00 H new ATOM 277 N GLN A 19 8.428 3.783 1.792 1.00 0.00 N ATOM 278 CA GLN A 19 8.489 4.342 3.127 1.00 0.00 C ATOM 279 C GLN A 19 7.185 4.928 3.587 1.00 0.00 C ATOM 280 O GLN A 19 6.850 4.870 4.770 1.00 0.00 O ATOM 281 CB GLN A 19 9.619 5.396 3.267 1.00 0.00 C ATOM 282 CG GLN A 19 9.553 6.645 2.357 1.00 0.00 C ATOM 283 CD GLN A 19 8.700 7.779 2.948 1.00 0.00 C ATOM 284 OE1 GLN A 19 8.484 7.861 4.163 1.00 0.00 O ATOM 285 NE2 GLN A 19 8.216 8.687 2.045 1.00 0.00 N ATOM 0 H GLN A 19 9.022 4.279 1.128 1.00 0.00 H new ATOM 0 HA GLN A 19 8.714 3.496 3.777 1.00 0.00 H new ATOM 0 HB2 GLN A 19 9.634 5.736 4.303 1.00 0.00 H new ATOM 0 HB3 GLN A 19 10.569 4.896 3.082 1.00 0.00 H new ATOM 0 HG2 GLN A 19 10.564 7.013 2.182 1.00 0.00 H new ATOM 0 HG3 GLN A 19 9.145 6.359 1.387 1.00 0.00 H new ATOM 0 HE21 GLN A 19 8.421 8.577 1.052 1.00 0.00 H new ATOM 0 HE22 GLN A 19 7.651 9.473 2.365 1.00 0.00 H new ATOM 294 N ARG A 20 6.418 5.497 2.637 1.00 0.00 N ATOM 295 CA ARG A 20 5.152 6.138 2.895 1.00 0.00 C ATOM 296 C ARG A 20 4.075 5.112 3.135 1.00 0.00 C ATOM 297 O ARG A 20 3.177 5.331 3.944 1.00 0.00 O ATOM 298 CB ARG A 20 4.729 7.058 1.731 1.00 0.00 C ATOM 299 CG ARG A 20 3.692 8.115 2.154 1.00 0.00 C ATOM 300 CD ARG A 20 3.302 9.111 1.054 1.00 0.00 C ATOM 301 NE ARG A 20 4.533 9.807 0.550 1.00 0.00 N ATOM 302 CZ ARG A 20 4.506 10.671 -0.510 1.00 0.00 C ATOM 303 NH1 ARG A 20 3.332 10.986 -1.131 1.00 0.00 N ATOM 304 NH2 ARG A 20 5.674 11.223 -0.955 1.00 0.00 N ATOM 0 H ARG A 20 6.684 5.514 1.652 1.00 0.00 H new ATOM 0 HA ARG A 20 5.280 6.749 3.789 1.00 0.00 H new ATOM 0 HB2 ARG A 20 5.610 7.560 1.331 1.00 0.00 H new ATOM 0 HB3 ARG A 20 4.315 6.451 0.926 1.00 0.00 H new ATOM 0 HG2 ARG A 20 2.792 7.604 2.497 1.00 0.00 H new ATOM 0 HG3 ARG A 20 4.087 8.671 3.004 1.00 0.00 H new ATOM 0 HD2 ARG A 20 2.805 8.590 0.236 1.00 0.00 H new ATOM 0 HD3 ARG A 20 2.593 9.841 1.444 1.00 0.00 H new ATOM 0 HE ARG A 20 5.423 9.629 1.016 1.00 0.00 H new ATOM 0 HH11 ARG A 20 2.457 10.575 -0.806 1.00 0.00 H new ATOM 0 HH12 ARG A 20 3.330 11.632 -1.920 1.00 0.00 H new ATOM 0 HH21 ARG A 20 6.555 10.990 -0.497 1.00 0.00 H new ATOM 0 HH22 ARG A 20 5.665 11.868 -1.745 1.00 0.00 H new ATOM 318 N LEU A 21 4.169 3.943 2.455 1.00 0.00 N ATOM 319 CA LEU A 21 3.246 2.842 2.618 1.00 0.00 C ATOM 320 C LEU A 21 3.458 2.122 3.917 1.00 0.00 C ATOM 321 O LEU A 21 2.544 1.442 4.372 1.00 0.00 O ATOM 322 CB LEU A 21 3.405 1.764 1.527 1.00 0.00 C ATOM 323 CG LEU A 21 3.046 2.255 0.114 1.00 0.00 C ATOM 324 CD1 LEU A 21 3.590 1.311 -0.970 1.00 0.00 C ATOM 325 CD2 LEU A 21 1.533 2.497 -0.063 1.00 0.00 C ATOM 0 H LEU A 21 4.905 3.757 1.774 1.00 0.00 H new ATOM 0 HA LEU A 21 2.262 3.308 2.567 1.00 0.00 H new ATOM 0 HB2 LEU A 21 4.435 1.409 1.527 1.00 0.00 H new ATOM 0 HB3 LEU A 21 2.774 0.911 1.777 1.00 0.00 H new ATOM 0 HG LEU A 21 3.536 3.221 -0.008 1.00 0.00 H new ATOM 0 HD11 LEU A 21 3.316 1.691 -1.954 1.00 0.00 H new ATOM 0 HD12 LEU A 21 4.676 1.255 -0.892 1.00 0.00 H new ATOM 0 HD13 LEU A 21 3.164 0.317 -0.834 1.00 0.00 H new ATOM 0 HD21 LEU A 21 1.336 2.842 -1.078 1.00 0.00 H new ATOM 0 HD22 LEU A 21 0.993 1.567 0.115 1.00 0.00 H new ATOM 0 HD23 LEU A 21 1.200 3.253 0.648 1.00 0.00 H new ATOM 337 N LYS A 22 4.652 2.253 4.551 1.00 0.00 N ATOM 338 CA LYS A 22 4.928 1.659 5.847 1.00 0.00 C ATOM 339 C LYS A 22 4.139 2.363 6.920 1.00 0.00 C ATOM 340 O LYS A 22 3.769 1.765 7.928 1.00 0.00 O ATOM 341 CB LYS A 22 6.414 1.751 6.285 1.00 0.00 C ATOM 342 CG LYS A 22 7.449 1.128 5.338 1.00 0.00 C ATOM 343 CD LYS A 22 7.255 -0.361 5.009 1.00 0.00 C ATOM 344 CE LYS A 22 7.734 -1.352 6.081 1.00 0.00 C ATOM 345 NZ LYS A 22 6.828 -1.400 7.252 1.00 0.00 N ATOM 0 H LYS A 22 5.437 2.776 4.163 1.00 0.00 H new ATOM 0 HA LYS A 22 4.655 0.610 5.733 1.00 0.00 H new ATOM 0 HB2 LYS A 22 6.665 2.803 6.420 1.00 0.00 H new ATOM 0 HB3 LYS A 22 6.512 1.273 7.259 1.00 0.00 H new ATOM 0 HG2 LYS A 22 7.441 1.690 4.404 1.00 0.00 H new ATOM 0 HG3 LYS A 22 8.438 1.256 5.778 1.00 0.00 H new ATOM 0 HD2 LYS A 22 6.195 -0.538 4.826 1.00 0.00 H new ATOM 0 HD3 LYS A 22 7.780 -0.579 4.079 1.00 0.00 H new ATOM 0 HE2 LYS A 22 7.810 -2.347 5.643 1.00 0.00 H new ATOM 0 HE3 LYS A 22 8.734 -1.071 6.410 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 6.871 -2.344 7.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.122 -0.686 7.948 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 5.854 -1.204 6.945 1.00 0.00 H new ATOM 359 N ALA A 23 3.862 3.670 6.694 1.00 0.00 N ATOM 360 CA ALA A 23 3.135 4.517 7.610 1.00 0.00 C ATOM 361 C ALA A 23 1.654 4.292 7.453 1.00 0.00 C ATOM 362 O ALA A 23 0.895 4.416 8.412 1.00 0.00 O ATOM 363 CB ALA A 23 3.421 6.011 7.364 1.00 0.00 C ATOM 0 H ALA A 23 4.154 4.155 5.845 1.00 0.00 H new ATOM 0 HA ALA A 23 3.464 4.255 8.616 1.00 0.00 H new ATOM 0 HB1 ALA A 23 2.854 6.612 8.075 1.00 0.00 H new ATOM 0 HB2 ALA A 23 4.486 6.204 7.494 1.00 0.00 H new ATOM 0 HB3 ALA A 23 3.126 6.276 6.349 1.00 0.00 H new ATOM 369 N GLU A 24 1.220 3.944 6.218 1.00 0.00 N ATOM 370 CA GLU A 24 -0.164 3.713 5.882 1.00 0.00 C ATOM 371 C GLU A 24 -0.521 2.263 6.090 1.00 0.00 C ATOM 372 O GLU A 24 -1.691 1.902 5.984 1.00 0.00 O ATOM 373 CB GLU A 24 -0.464 4.109 4.420 1.00 0.00 C ATOM 374 CG GLU A 24 -0.262 5.619 4.193 1.00 0.00 C ATOM 375 CD GLU A 24 -0.547 5.977 2.738 1.00 0.00 C ATOM 376 OE1 GLU A 24 0.187 5.475 1.845 1.00 0.00 O ATOM 377 OE2 GLU A 24 -1.498 6.768 2.503 1.00 0.00 O ATOM 0 H GLU A 24 1.852 3.819 5.427 1.00 0.00 H new ATOM 0 HA GLU A 24 -0.768 4.337 6.541 1.00 0.00 H new ATOM 0 HB2 GLU A 24 0.187 3.549 3.749 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -1.489 3.836 4.171 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -0.923 6.184 4.850 1.00 0.00 H new ATOM 0 HG3 GLU A 24 0.759 5.899 4.450 1.00 0.00 H new ATOM 384 N PHE A 25 0.478 1.407 6.423 1.00 0.00 N ATOM 385 CA PHE A 25 0.293 0.022 6.794 1.00 0.00 C ATOM 386 C PHE A 25 0.020 0.017 8.273 1.00 0.00 C ATOM 387 O PHE A 25 -0.828 -0.733 8.751 1.00 0.00 O ATOM 388 CB PHE A 25 1.546 -0.854 6.494 1.00 0.00 C ATOM 389 CG PHE A 25 1.292 -2.310 6.806 1.00 0.00 C ATOM 390 CD1 PHE A 25 0.481 -3.084 5.960 1.00 0.00 C ATOM 391 CD2 PHE A 25 1.804 -2.895 7.977 1.00 0.00 C ATOM 392 CE1 PHE A 25 0.154 -4.404 6.292 1.00 0.00 C ATOM 393 CE2 PHE A 25 1.489 -4.218 8.308 1.00 0.00 C ATOM 394 CZ PHE A 25 0.654 -4.970 7.471 1.00 0.00 C ATOM 0 H PHE A 25 1.457 1.692 6.434 1.00 0.00 H new ATOM 0 HA PHE A 25 -0.524 -0.405 6.213 1.00 0.00 H new ATOM 0 HB2 PHE A 25 1.822 -0.749 5.445 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.390 -0.497 7.083 1.00 0.00 H new ATOM 0 HD1 PHE A 25 0.105 -2.656 5.043 1.00 0.00 H new ATOM 0 HD2 PHE A 25 2.446 -2.319 8.627 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -0.482 -4.984 5.640 1.00 0.00 H new ATOM 0 HE2 PHE A 25 1.890 -4.659 9.209 1.00 0.00 H new ATOM 0 HZ PHE A 25 0.396 -5.985 7.735 1.00 0.00 H new ATOM 404 N GLN A 26 0.744 0.883 9.021 1.00 0.00 N ATOM 405 CA GLN A 26 0.674 1.027 10.457 1.00 0.00 C ATOM 406 C GLN A 26 -0.705 1.453 10.888 1.00 0.00 C ATOM 407 O GLN A 26 -1.241 0.943 11.871 1.00 0.00 O ATOM 408 CB GLN A 26 1.689 2.089 10.938 1.00 0.00 C ATOM 409 CG GLN A 26 1.819 2.202 12.467 1.00 0.00 C ATOM 410 CD GLN A 26 2.898 3.232 12.821 1.00 0.00 C ATOM 411 OE1 GLN A 26 3.961 2.876 13.343 1.00 0.00 O ATOM 412 NE2 GLN A 26 2.606 4.536 12.527 1.00 0.00 N ATOM 0 H GLN A 26 1.419 1.521 8.600 1.00 0.00 H new ATOM 0 HA GLN A 26 0.908 0.058 10.898 1.00 0.00 H new ATOM 0 HB2 GLN A 26 2.668 1.854 10.519 1.00 0.00 H new ATOM 0 HB3 GLN A 26 1.396 3.060 10.538 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.864 2.498 12.902 1.00 0.00 H new ATOM 0 HG3 GLN A 26 2.076 1.232 12.892 1.00 0.00 H new ATOM 0 HE21 GLN A 26 1.713 4.774 12.096 1.00 0.00 H new ATOM 0 HE22 GLN A 26 3.282 5.270 12.739 1.00 0.00 H new ATOM 421 N THR A 27 -1.315 2.384 10.116 1.00 0.00 N ATOM 422 CA THR A 27 -2.648 2.883 10.344 1.00 0.00 C ATOM 423 C THR A 27 -3.625 1.825 9.914 1.00 0.00 C ATOM 424 O THR A 27 -4.306 1.215 10.737 1.00 0.00 O ATOM 425 CB THR A 27 -2.907 4.193 9.612 1.00 0.00 C ATOM 426 OG1 THR A 27 -1.927 5.156 9.984 1.00 0.00 O ATOM 427 CG2 THR A 27 -4.313 4.752 9.934 1.00 0.00 C ATOM 0 H THR A 27 -0.864 2.804 9.304 1.00 0.00 H new ATOM 0 HA THR A 27 -2.768 3.101 11.405 1.00 0.00 H new ATOM 0 HB THR A 27 -2.850 3.993 8.542 1.00 0.00 H new ATOM 0 HG1 THR A 27 -1.082 4.955 9.531 1.00 0.00 H new ATOM 0 HG21 THR A 27 -4.465 5.687 9.395 1.00 0.00 H new ATOM 0 HG22 THR A 27 -5.070 4.030 9.628 1.00 0.00 H new ATOM 0 HG23 THR A 27 -4.396 4.933 11.006 1.00 0.00 H new ATOM 435 N ASN A 28 -3.688 1.596 8.591 1.00 0.00 N ATOM 436 CA ASN A 28 -4.623 0.723 7.952 1.00 0.00 C ATOM 437 C ASN A 28 -3.885 -0.511 7.525 1.00 0.00 C ATOM 438 O ASN A 28 -3.141 -0.485 6.549 1.00 0.00 O ATOM 439 CB ASN A 28 -5.192 1.389 6.678 1.00 0.00 C ATOM 440 CG ASN A 28 -6.028 2.627 7.027 1.00 0.00 C ATOM 441 OD1 ASN A 28 -5.648 3.756 6.696 1.00 0.00 O ATOM 442 ND2 ASN A 28 -7.195 2.393 7.702 1.00 0.00 N ATOM 0 H ASN A 28 -3.052 2.044 7.931 1.00 0.00 H new ATOM 0 HA ASN A 28 -5.435 0.495 8.643 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -4.374 1.674 6.017 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -5.807 0.673 6.134 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.801 3.172 7.958 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.459 1.439 7.950 1.00 0.00 H new ATOM 449 N ARG A 29 -4.099 -1.638 8.242 1.00 0.00 N ATOM 450 CA ARG A 29 -3.603 -2.935 7.840 1.00 0.00 C ATOM 451 C ARG A 29 -4.690 -3.604 7.067 1.00 0.00 C ATOM 452 O ARG A 29 -4.439 -4.190 6.013 1.00 0.00 O ATOM 453 CB ARG A 29 -3.280 -3.896 9.005 1.00 0.00 C ATOM 454 CG ARG A 29 -2.011 -3.511 9.777 1.00 0.00 C ATOM 455 CD ARG A 29 -1.521 -4.592 10.751 1.00 0.00 C ATOM 456 NE ARG A 29 -2.581 -4.845 11.783 1.00 0.00 N ATOM 457 CZ ARG A 29 -2.523 -5.904 12.648 1.00 0.00 C ATOM 458 NH1 ARG A 29 -1.480 -6.785 12.611 1.00 0.00 N ATOM 459 NH2 ARG A 29 -3.525 -6.084 13.559 1.00 0.00 N ATOM 0 H ARG A 29 -4.625 -1.653 9.116 1.00 0.00 H new ATOM 0 HA ARG A 29 -2.681 -2.750 7.290 1.00 0.00 H new ATOM 0 HB2 ARG A 29 -4.124 -3.916 9.694 1.00 0.00 H new ATOM 0 HB3 ARG A 29 -3.165 -4.906 8.612 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -1.216 -3.292 9.064 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -2.201 -2.594 10.334 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -1.297 -5.511 10.210 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -0.597 -4.272 11.233 1.00 0.00 H new ATOM 0 HE ARG A 29 -3.373 -4.205 11.842 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -0.730 -6.659 11.932 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -1.451 -7.569 13.263 1.00 0.00 H new ATOM 0 HH21 ARG A 29 -4.309 -5.432 13.591 1.00 0.00 H new ATOM 0 HH22 ARG A 29 -3.490 -6.871 14.207 1.00 0.00 H new ATOM 473 N TYR A 30 -5.928 -3.528 7.611 1.00 0.00 N ATOM 474 CA TYR A 30 -7.120 -4.116 7.073 1.00 0.00 C ATOM 475 C TYR A 30 -7.647 -3.151 6.052 1.00 0.00 C ATOM 476 O TYR A 30 -8.566 -2.372 6.299 1.00 0.00 O ATOM 477 CB TYR A 30 -8.180 -4.339 8.173 1.00 0.00 C ATOM 478 CG TYR A 30 -7.651 -5.311 9.198 1.00 0.00 C ATOM 479 CD1 TYR A 30 -7.726 -6.695 8.970 1.00 0.00 C ATOM 480 CD2 TYR A 30 -7.053 -4.849 10.385 1.00 0.00 C ATOM 481 CE1 TYR A 30 -7.216 -7.600 9.907 1.00 0.00 C ATOM 482 CE2 TYR A 30 -6.535 -5.751 11.320 1.00 0.00 C ATOM 483 CZ TYR A 30 -6.617 -7.130 11.084 1.00 0.00 C ATOM 484 OH TYR A 30 -6.093 -8.043 12.027 1.00 0.00 O ATOM 0 H TYR A 30 -6.102 -3.024 8.480 1.00 0.00 H new ATOM 0 HA TYR A 30 -6.899 -5.090 6.637 1.00 0.00 H new ATOM 0 HB2 TYR A 30 -8.428 -3.391 8.650 1.00 0.00 H new ATOM 0 HB3 TYR A 30 -9.100 -4.724 7.733 1.00 0.00 H new ATOM 0 HD1 TYR A 30 -8.182 -7.064 8.063 1.00 0.00 H new ATOM 0 HD2 TYR A 30 -6.993 -3.788 10.576 1.00 0.00 H new ATOM 0 HE1 TYR A 30 -7.284 -8.662 9.723 1.00 0.00 H new ATOM 0 HE2 TYR A 30 -6.072 -5.385 12.224 1.00 0.00 H new ATOM 0 HH TYR A 30 -5.713 -7.550 12.784 1.00 0.00 H new ATOM 494 N LEU A 31 -7.002 -3.191 4.870 1.00 0.00 N ATOM 495 CA LEU A 31 -7.166 -2.256 3.798 1.00 0.00 C ATOM 496 C LEU A 31 -8.335 -2.691 2.965 1.00 0.00 C ATOM 497 O LEU A 31 -8.599 -3.883 2.818 1.00 0.00 O ATOM 498 CB LEU A 31 -5.892 -2.218 2.921 1.00 0.00 C ATOM 499 CG LEU A 31 -5.652 -0.893 2.169 1.00 0.00 C ATOM 500 CD1 LEU A 31 -5.220 0.241 3.114 1.00 0.00 C ATOM 501 CD2 LEU A 31 -4.619 -1.075 1.050 1.00 0.00 C ATOM 0 H LEU A 31 -6.325 -3.921 4.651 1.00 0.00 H new ATOM 0 HA LEU A 31 -7.338 -1.259 4.204 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -5.028 -2.419 3.554 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -5.948 -3.026 2.192 1.00 0.00 H new ATOM 0 HG LEU A 31 -6.605 -0.606 1.725 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -5.063 1.154 2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -5.998 0.411 3.858 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -4.293 -0.036 3.615 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -4.469 -0.126 0.536 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -3.674 -1.410 1.478 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -4.979 -1.819 0.340 1.00 0.00 H new ATOM 513 N THR A 32 -9.064 -1.701 2.412 1.00 0.00 N ATOM 514 CA THR A 32 -10.211 -1.924 1.562 1.00 0.00 C ATOM 515 C THR A 32 -9.732 -1.794 0.154 1.00 0.00 C ATOM 516 O THR A 32 -8.588 -1.418 -0.084 1.00 0.00 O ATOM 517 CB THR A 32 -11.430 -1.050 1.863 1.00 0.00 C ATOM 518 OG1 THR A 32 -11.278 0.310 1.477 1.00 0.00 O ATOM 519 CG2 THR A 32 -11.679 -1.092 3.382 1.00 0.00 C ATOM 0 H THR A 32 -8.854 -0.713 2.557 1.00 0.00 H new ATOM 0 HA THR A 32 -10.602 -2.923 1.756 1.00 0.00 H new ATOM 0 HB THR A 32 -12.261 -1.451 1.283 1.00 0.00 H new ATOM 0 HG1 THR A 32 -12.094 0.806 1.698 1.00 0.00 H new ATOM 0 HG21 THR A 32 -12.545 -0.476 3.626 1.00 0.00 H new ATOM 0 HG22 THR A 32 -11.866 -2.120 3.692 1.00 0.00 H new ATOM 0 HG23 THR A 32 -10.802 -0.710 3.905 1.00 0.00 H new ATOM 527 N GLU A 33 -10.612 -2.116 -0.819 1.00 0.00 N ATOM 528 CA GLU A 33 -10.330 -1.970 -2.223 1.00 0.00 C ATOM 529 C GLU A 33 -10.357 -0.517 -2.617 1.00 0.00 C ATOM 530 O GLU A 33 -9.767 -0.149 -3.627 1.00 0.00 O ATOM 531 CB GLU A 33 -11.314 -2.766 -3.117 1.00 0.00 C ATOM 532 CG GLU A 33 -12.798 -2.404 -2.925 1.00 0.00 C ATOM 533 CD GLU A 33 -13.665 -3.275 -3.835 1.00 0.00 C ATOM 534 OE1 GLU A 33 -13.527 -3.147 -5.081 1.00 0.00 O ATOM 535 OE2 GLU A 33 -14.477 -4.074 -3.297 1.00 0.00 O ATOM 0 H GLU A 33 -11.542 -2.487 -0.626 1.00 0.00 H new ATOM 0 HA GLU A 33 -9.333 -2.381 -2.384 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -11.047 -2.603 -4.161 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -11.185 -3.830 -2.917 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -13.086 -2.550 -1.884 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -12.958 -1.350 -3.155 1.00 0.00 H new ATOM 542 N GLN A 34 -11.052 0.333 -1.817 1.00 0.00 N ATOM 543 CA GLN A 34 -11.267 1.730 -2.093 1.00 0.00 C ATOM 544 C GLN A 34 -10.213 2.588 -1.451 1.00 0.00 C ATOM 545 O GLN A 34 -9.954 3.699 -1.909 1.00 0.00 O ATOM 546 CB GLN A 34 -12.646 2.182 -1.568 1.00 0.00 C ATOM 547 CG GLN A 34 -13.839 1.556 -2.319 1.00 0.00 C ATOM 548 CD GLN A 34 -13.742 1.821 -3.830 1.00 0.00 C ATOM 549 OE1 GLN A 34 -13.664 0.877 -4.624 1.00 0.00 O ATOM 550 NE2 GLN A 34 -13.737 3.133 -4.219 1.00 0.00 N ATOM 0 H GLN A 34 -11.481 0.031 -0.942 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.218 1.850 -3.175 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -12.722 1.928 -0.511 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -12.713 3.267 -1.641 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -13.865 0.482 -2.136 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -14.772 1.968 -1.934 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -13.804 3.873 -3.520 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -13.666 3.371 -5.208 1.00 0.00 H new ATOM 559 N ARG A 35 -9.575 2.090 -0.372 1.00 0.00 N ATOM 560 CA ARG A 35 -8.521 2.771 0.347 1.00 0.00 C ATOM 561 C ARG A 35 -7.249 2.494 -0.396 1.00 0.00 C ATOM 562 O ARG A 35 -6.404 3.366 -0.550 1.00 0.00 O ATOM 563 CB ARG A 35 -8.381 2.191 1.768 1.00 0.00 C ATOM 564 CG ARG A 35 -7.982 3.141 2.914 1.00 0.00 C ATOM 565 CD ARG A 35 -6.562 3.715 2.847 1.00 0.00 C ATOM 566 NE ARG A 35 -6.580 4.997 2.067 1.00 0.00 N ATOM 567 CZ ARG A 35 -6.384 6.229 2.629 1.00 0.00 C ATOM 568 NH1 ARG A 35 -6.208 6.373 3.975 1.00 0.00 N ATOM 569 NH2 ARG A 35 -6.367 7.335 1.827 1.00 0.00 N ATOM 0 H ARG A 35 -9.798 1.175 0.021 1.00 0.00 H new ATOM 0 HA ARG A 35 -8.739 3.837 0.420 1.00 0.00 H new ATOM 0 HB2 ARG A 35 -9.333 1.732 2.034 1.00 0.00 H new ATOM 0 HB3 ARG A 35 -7.642 1.391 1.728 1.00 0.00 H new ATOM 0 HG2 ARG A 35 -8.688 3.971 2.933 1.00 0.00 H new ATOM 0 HG3 ARG A 35 -8.092 2.607 3.858 1.00 0.00 H new ATOM 0 HD2 ARG A 35 -6.182 3.894 3.853 1.00 0.00 H new ATOM 0 HD3 ARG A 35 -5.890 2.998 2.375 1.00 0.00 H new ATOM 0 HE ARG A 35 -6.748 4.947 1.062 1.00 0.00 H new ATOM 0 HH11 ARG A 35 -6.221 5.553 4.582 1.00 0.00 H new ATOM 0 HH12 ARG A 35 -6.063 7.300 4.374 1.00 0.00 H new ATOM 0 HH21 ARG A 35 -6.500 7.237 0.820 1.00 0.00 H new ATOM 0 HH22 ARG A 35 -6.222 8.259 2.235 1.00 0.00 H new ATOM 583 N ARG A 36 -7.122 1.242 -0.896 1.00 0.00 N ATOM 584 CA ARG A 36 -6.076 0.778 -1.785 1.00 0.00 C ATOM 585 C ARG A 36 -6.059 1.552 -3.073 1.00 0.00 C ATOM 586 O ARG A 36 -4.996 1.846 -3.616 1.00 0.00 O ATOM 587 CB ARG A 36 -6.255 -0.708 -2.156 1.00 0.00 C ATOM 588 CG ARG A 36 -4.992 -1.330 -2.765 1.00 0.00 C ATOM 589 CD ARG A 36 -5.152 -2.798 -3.202 1.00 0.00 C ATOM 590 NE ARG A 36 -5.765 -3.630 -2.111 1.00 0.00 N ATOM 591 CZ ARG A 36 -5.067 -4.120 -1.039 1.00 0.00 C ATOM 592 NH1 ARG A 36 -3.744 -3.848 -0.870 1.00 0.00 N ATOM 593 NH2 ARG A 36 -5.718 -4.889 -0.116 1.00 0.00 N ATOM 0 H ARG A 36 -7.789 0.505 -0.668 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.144 0.923 -1.239 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -6.535 -1.268 -1.264 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.078 -0.803 -2.864 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -4.690 -0.738 -3.629 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -4.183 -1.267 -2.037 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -5.776 -2.848 -4.094 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -4.178 -3.208 -3.471 1.00 0.00 H new ATOM 0 HE ARG A 36 -6.761 -3.843 -2.172 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.252 -3.268 -1.550 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -3.245 -4.224 -0.064 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.711 -5.092 -0.230 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -5.211 -5.261 0.687 1.00 0.00 H new ATOM 607 N GLN A 37 -7.264 1.923 -3.566 1.00 0.00 N ATOM 608 CA GLN A 37 -7.477 2.743 -4.722 1.00 0.00 C ATOM 609 C GLN A 37 -6.976 4.138 -4.495 1.00 0.00 C ATOM 610 O GLN A 37 -6.586 4.825 -5.432 1.00 0.00 O ATOM 611 CB GLN A 37 -8.984 2.830 -5.038 1.00 0.00 C ATOM 612 CG GLN A 37 -9.251 3.218 -6.490 1.00 0.00 C ATOM 613 CD GLN A 37 -10.738 3.052 -6.820 1.00 0.00 C ATOM 614 OE1 GLN A 37 -11.457 4.045 -6.987 1.00 0.00 O ATOM 615 NE2 GLN A 37 -11.194 1.766 -6.916 1.00 0.00 N ATOM 0 H GLN A 37 -8.138 1.631 -3.129 1.00 0.00 H new ATOM 0 HA GLN A 37 -6.934 2.287 -5.550 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -9.453 1.868 -4.829 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -9.450 3.561 -4.377 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -8.947 4.251 -6.659 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -8.652 2.596 -7.156 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -10.554 0.986 -6.768 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.174 1.587 -7.136 1.00 0.00 H new ATOM 624 N SER A 38 -6.967 4.577 -3.215 1.00 0.00 N ATOM 625 CA SER A 38 -6.548 5.916 -2.863 1.00 0.00 C ATOM 626 C SER A 38 -5.051 5.978 -2.755 1.00 0.00 C ATOM 627 O SER A 38 -4.458 7.020 -3.022 1.00 0.00 O ATOM 628 CB SER A 38 -7.106 6.414 -1.518 1.00 0.00 C ATOM 629 OG SER A 38 -8.526 6.406 -1.522 1.00 0.00 O ATOM 0 H SER A 38 -7.250 4.005 -2.419 1.00 0.00 H new ATOM 0 HA SER A 38 -6.938 6.551 -3.659 1.00 0.00 H new ATOM 0 HB2 SER A 38 -6.737 5.781 -0.711 1.00 0.00 H new ATOM 0 HB3 SER A 38 -6.745 7.424 -1.322 1.00 0.00 H new ATOM 0 HG SER A 38 -8.848 5.486 -1.622 1.00 0.00 H new ATOM 635 N LEU A 39 -4.405 4.845 -2.374 1.00 0.00 N ATOM 636 CA LEU A 39 -2.966 4.743 -2.248 1.00 0.00 C ATOM 637 C LEU A 39 -2.366 4.671 -3.634 1.00 0.00 C ATOM 638 O LEU A 39 -1.220 5.061 -3.854 1.00 0.00 O ATOM 639 CB LEU A 39 -2.482 3.484 -1.475 1.00 0.00 C ATOM 640 CG LEU A 39 -3.146 3.180 -0.107 1.00 0.00 C ATOM 641 CD1 LEU A 39 -2.334 2.135 0.684 1.00 0.00 C ATOM 642 CD2 LEU A 39 -3.431 4.416 0.762 1.00 0.00 C ATOM 0 H LEU A 39 -4.894 3.979 -2.148 1.00 0.00 H new ATOM 0 HA LEU A 39 -2.648 5.620 -1.684 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.629 2.617 -2.119 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -1.409 3.582 -1.313 1.00 0.00 H new ATOM 0 HG LEU A 39 -4.125 2.770 -0.356 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -2.823 1.941 1.639 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -2.277 1.209 0.111 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.328 2.515 0.862 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -3.895 4.104 1.698 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -2.496 4.934 0.976 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.104 5.088 0.229 1.00 0.00 H new ATOM 654 N ALA A 40 -3.172 4.161 -4.597 1.00 0.00 N ATOM 655 CA ALA A 40 -2.839 4.045 -5.997 1.00 0.00 C ATOM 656 C ALA A 40 -2.897 5.385 -6.682 1.00 0.00 C ATOM 657 O ALA A 40 -2.198 5.615 -7.664 1.00 0.00 O ATOM 658 CB ALA A 40 -3.785 3.084 -6.737 1.00 0.00 C ATOM 0 H ALA A 40 -4.107 3.811 -4.388 1.00 0.00 H new ATOM 0 HA ALA A 40 -1.824 3.649 -6.036 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -3.498 3.027 -7.787 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -3.720 2.093 -6.289 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.809 3.450 -6.660 1.00 0.00 H new ATOM 664 N GLN A 41 -3.732 6.319 -6.172 1.00 0.00 N ATOM 665 CA GLN A 41 -3.837 7.654 -6.717 1.00 0.00 C ATOM 666 C GLN A 41 -2.757 8.529 -6.135 1.00 0.00 C ATOM 667 O GLN A 41 -2.414 9.559 -6.712 1.00 0.00 O ATOM 668 CB GLN A 41 -5.204 8.295 -6.384 1.00 0.00 C ATOM 669 CG GLN A 41 -6.359 7.678 -7.192 1.00 0.00 C ATOM 670 CD GLN A 41 -7.705 8.149 -6.631 1.00 0.00 C ATOM 671 OE1 GLN A 41 -8.457 7.355 -6.052 1.00 0.00 O ATOM 672 NE2 GLN A 41 -8.004 9.471 -6.811 1.00 0.00 N ATOM 0 H GLN A 41 -4.343 6.150 -5.373 1.00 0.00 H new ATOM 0 HA GLN A 41 -3.732 7.575 -7.799 1.00 0.00 H new ATOM 0 HB2 GLN A 41 -5.407 8.177 -5.319 1.00 0.00 H new ATOM 0 HB3 GLN A 41 -5.157 9.366 -6.583 1.00 0.00 H new ATOM 0 HG2 GLN A 41 -6.273 7.964 -8.240 1.00 0.00 H new ATOM 0 HG3 GLN A 41 -6.300 6.590 -7.152 1.00 0.00 H new ATOM 0 HE21 GLN A 41 -7.346 10.081 -7.296 1.00 0.00 H new ATOM 0 HE22 GLN A 41 -8.885 9.847 -6.460 1.00 0.00 H new ATOM 681 N GLU A 42 -2.209 8.133 -4.961 1.00 0.00 N ATOM 682 CA GLU A 42 -1.370 8.969 -4.141 1.00 0.00 C ATOM 683 C GLU A 42 0.026 9.077 -4.663 1.00 0.00 C ATOM 684 O GLU A 42 0.452 10.134 -5.127 1.00 0.00 O ATOM 685 CB GLU A 42 -1.343 8.447 -2.687 1.00 0.00 C ATOM 686 CG GLU A 42 -0.656 9.381 -1.677 1.00 0.00 C ATOM 687 CD GLU A 42 -0.848 8.808 -0.274 1.00 0.00 C ATOM 688 OE1 GLU A 42 -2.019 8.759 0.189 1.00 0.00 O ATOM 689 OE2 GLU A 42 0.170 8.407 0.350 1.00 0.00 O ATOM 0 H GLU A 42 -2.355 7.202 -4.571 1.00 0.00 H new ATOM 0 HA GLU A 42 -1.806 9.968 -4.168 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -2.368 8.273 -2.360 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -0.835 7.483 -2.672 1.00 0.00 H new ATOM 0 HG2 GLU A 42 0.406 9.471 -1.907 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -1.082 10.383 -1.738 1.00 0.00 H new ATOM 696 N LEU A 43 0.764 7.952 -4.597 1.00 0.00 N ATOM 697 CA LEU A 43 2.135 7.820 -5.023 1.00 0.00 C ATOM 698 C LEU A 43 2.150 7.736 -6.515 1.00 0.00 C ATOM 699 O LEU A 43 3.112 8.125 -7.175 1.00 0.00 O ATOM 700 CB LEU A 43 2.729 6.518 -4.451 1.00 0.00 C ATOM 701 CG LEU A 43 2.738 6.521 -2.909 1.00 0.00 C ATOM 702 CD1 LEU A 43 2.943 5.126 -2.300 1.00 0.00 C ATOM 703 CD2 LEU A 43 3.784 7.505 -2.358 1.00 0.00 C ATOM 0 H LEU A 43 0.386 7.081 -4.225 1.00 0.00 H new ATOM 0 HA LEU A 43 2.719 8.671 -4.674 1.00 0.00 H new ATOM 0 HB2 LEU A 43 2.150 5.667 -4.809 1.00 0.00 H new ATOM 0 HB3 LEU A 43 3.747 6.390 -4.820 1.00 0.00 H new ATOM 0 HG LEU A 43 1.745 6.854 -2.607 1.00 0.00 H new ATOM 0 HD11 LEU A 43 2.939 5.200 -1.212 1.00 0.00 H new ATOM 0 HD12 LEU A 43 2.137 4.466 -2.622 1.00 0.00 H new ATOM 0 HD13 LEU A 43 3.899 4.721 -2.633 1.00 0.00 H new ATOM 0 HD21 LEU A 43 3.765 7.484 -1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 43 4.775 7.217 -2.710 1.00 0.00 H new ATOM 0 HD23 LEU A 43 3.554 8.512 -2.705 1.00 0.00 H new ATOM 715 N GLY A 44 1.021 7.234 -7.053 1.00 0.00 N ATOM 716 CA GLY A 44 0.761 7.170 -8.468 1.00 0.00 C ATOM 717 C GLY A 44 1.070 5.784 -8.914 1.00 0.00 C ATOM 718 O GLY A 44 1.691 5.572 -9.955 1.00 0.00 O ATOM 0 H GLY A 44 0.260 6.859 -6.486 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.279 7.418 -8.679 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.376 7.892 -9.005 1.00 0.00 H new ATOM 722 N LEU A 45 0.626 4.803 -8.100 1.00 0.00 N ATOM 723 CA LEU A 45 0.846 3.396 -8.351 1.00 0.00 C ATOM 724 C LEU A 45 -0.389 2.827 -8.999 1.00 0.00 C ATOM 725 O LEU A 45 -1.274 3.559 -9.439 1.00 0.00 O ATOM 726 CB LEU A 45 1.126 2.628 -7.041 1.00 0.00 C ATOM 727 CG LEU A 45 2.466 3.005 -6.381 1.00 0.00 C ATOM 728 CD1 LEU A 45 2.350 2.843 -4.860 1.00 0.00 C ATOM 729 CD2 LEU A 45 3.635 2.180 -6.952 1.00 0.00 C ATOM 0 H LEU A 45 0.101 4.986 -7.245 1.00 0.00 H new ATOM 0 HA LEU A 45 1.714 3.289 -9.001 1.00 0.00 H new ATOM 0 HB2 LEU A 45 0.317 2.820 -6.337 1.00 0.00 H new ATOM 0 HB3 LEU A 45 1.121 1.558 -7.248 1.00 0.00 H new ATOM 0 HG LEU A 45 2.686 4.048 -6.608 1.00 0.00 H new ATOM 0 HD11 LEU A 45 3.298 3.110 -4.392 1.00 0.00 H new ATOM 0 HD12 LEU A 45 1.563 3.497 -4.483 1.00 0.00 H new ATOM 0 HD13 LEU A 45 2.107 1.808 -4.622 1.00 0.00 H new ATOM 0 HD21 LEU A 45 4.562 2.475 -6.461 1.00 0.00 H new ATOM 0 HD22 LEU A 45 3.453 1.120 -6.776 1.00 0.00 H new ATOM 0 HD23 LEU A 45 3.718 2.360 -8.024 1.00 0.00 H new ATOM 741 N ASN A 46 -0.459 1.478 -9.066 1.00 0.00 N ATOM 742 CA ASN A 46 -1.642 0.745 -9.432 1.00 0.00 C ATOM 743 C ASN A 46 -2.147 0.170 -8.141 1.00 0.00 C ATOM 744 O ASN A 46 -1.493 0.272 -7.105 1.00 0.00 O ATOM 745 CB ASN A 46 -1.365 -0.425 -10.411 1.00 0.00 C ATOM 746 CG ASN A 46 -0.758 0.132 -11.706 1.00 0.00 C ATOM 747 OD1 ASN A 46 -1.429 0.860 -12.447 1.00 0.00 O ATOM 748 ND2 ASN A 46 0.539 -0.218 -11.968 1.00 0.00 N ATOM 0 H ASN A 46 0.337 0.876 -8.858 1.00 0.00 H new ATOM 0 HA ASN A 46 -2.342 1.407 -9.941 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -0.683 -1.142 -9.955 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -2.290 -0.959 -10.629 1.00 0.00 H new ATOM 0 HD21 ASN A 46 1.000 0.125 -12.811 1.00 0.00 H new ATOM 0 HD22 ASN A 46 1.045 -0.822 -11.320 1.00 0.00 H new ATOM 755 N GLU A 47 -3.344 -0.456 -8.175 1.00 0.00 N ATOM 756 CA GLU A 47 -3.899 -1.173 -7.050 1.00 0.00 C ATOM 757 C GLU A 47 -3.183 -2.478 -6.885 1.00 0.00 C ATOM 758 O GLU A 47 -3.000 -2.969 -5.778 1.00 0.00 O ATOM 759 CB GLU A 47 -5.400 -1.476 -7.230 1.00 0.00 C ATOM 760 CG GLU A 47 -6.167 -0.201 -7.599 1.00 0.00 C ATOM 761 CD GLU A 47 -7.647 -0.336 -7.255 1.00 0.00 C ATOM 762 OE1 GLU A 47 -7.961 -0.529 -6.050 1.00 0.00 O ATOM 763 OE2 GLU A 47 -8.487 -0.242 -8.190 1.00 0.00 O ATOM 0 H GLU A 47 -3.943 -0.467 -9.001 1.00 0.00 H new ATOM 0 HA GLU A 47 -3.775 -0.536 -6.175 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -5.534 -2.226 -8.009 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -5.805 -1.897 -6.309 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -5.742 0.650 -7.067 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -6.054 0.000 -8.664 1.00 0.00 H new ATOM 770 N SER A 48 -2.771 -3.041 -8.039 1.00 0.00 N ATOM 771 CA SER A 48 -2.163 -4.342 -8.192 1.00 0.00 C ATOM 772 C SER A 48 -0.738 -4.376 -7.671 1.00 0.00 C ATOM 773 O SER A 48 -0.249 -5.440 -7.293 1.00 0.00 O ATOM 774 CB SER A 48 -2.198 -4.774 -9.680 1.00 0.00 C ATOM 775 OG SER A 48 -1.837 -6.138 -9.862 1.00 0.00 O ATOM 0 H SER A 48 -2.868 -2.556 -8.931 1.00 0.00 H new ATOM 0 HA SER A 48 -2.743 -5.044 -7.594 1.00 0.00 H new ATOM 0 HB2 SER A 48 -3.199 -4.611 -10.079 1.00 0.00 H new ATOM 0 HB3 SER A 48 -1.520 -4.143 -10.254 1.00 0.00 H new ATOM 0 HG SER A 48 -1.876 -6.362 -10.815 1.00 0.00 H new ATOM 781 N GLN A 49 -0.051 -3.207 -7.605 1.00 0.00 N ATOM 782 CA GLN A 49 1.263 -3.060 -7.018 1.00 0.00 C ATOM 783 C GLN A 49 1.175 -3.279 -5.530 1.00 0.00 C ATOM 784 O GLN A 49 1.968 -4.013 -4.941 1.00 0.00 O ATOM 785 CB GLN A 49 1.799 -1.614 -7.187 1.00 0.00 C ATOM 786 CG GLN A 49 2.183 -1.197 -8.619 1.00 0.00 C ATOM 787 CD GLN A 49 3.554 -1.760 -9.020 1.00 0.00 C ATOM 788 OE1 GLN A 49 4.138 -2.614 -8.343 1.00 0.00 O ATOM 789 NE2 GLN A 49 4.078 -1.240 -10.173 1.00 0.00 N ATOM 0 H GLN A 49 -0.423 -2.332 -7.974 1.00 0.00 H new ATOM 0 HA GLN A 49 1.915 -3.779 -7.514 1.00 0.00 H new ATOM 0 HB2 GLN A 49 1.041 -0.922 -6.820 1.00 0.00 H new ATOM 0 HB3 GLN A 49 2.675 -1.496 -6.549 1.00 0.00 H new ATOM 0 HG2 GLN A 49 1.425 -1.550 -9.318 1.00 0.00 H new ATOM 0 HG3 GLN A 49 2.200 -0.109 -8.690 1.00 0.00 H new ATOM 0 HE21 GLN A 49 3.558 -0.537 -10.698 1.00 0.00 H new ATOM 0 HE22 GLN A 49 4.988 -1.556 -10.507 1.00 0.00 H new ATOM 798 N ILE A 50 0.179 -2.605 -4.912 1.00 0.00 N ATOM 799 CA ILE A 50 0.011 -2.450 -3.491 1.00 0.00 C ATOM 800 C ILE A 50 -0.705 -3.660 -2.939 1.00 0.00 C ATOM 801 O ILE A 50 -0.660 -3.924 -1.741 1.00 0.00 O ATOM 802 CB ILE A 50 -0.743 -1.158 -3.176 1.00 0.00 C ATOM 803 CG1 ILE A 50 -0.134 0.016 -3.987 1.00 0.00 C ATOM 804 CG2 ILE A 50 -0.705 -0.863 -1.662 1.00 0.00 C ATOM 805 CD1 ILE A 50 -0.862 1.344 -3.783 1.00 0.00 C ATOM 0 H ILE A 50 -0.558 -2.138 -5.441 1.00 0.00 H new ATOM 0 HA ILE A 50 0.988 -2.377 -3.013 1.00 0.00 H new ATOM 0 HB ILE A 50 -1.787 -1.276 -3.466 1.00 0.00 H new ATOM 0 HG12 ILE A 50 0.912 0.138 -3.705 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -0.150 -0.239 -5.047 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -1.247 0.060 -1.458 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -1.171 -1.685 -1.119 1.00 0.00 H new ATOM 0 HG23 ILE A 50 0.330 -0.755 -1.338 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -0.381 2.118 -4.381 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -1.902 1.240 -4.093 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -0.823 1.622 -2.730 1.00 0.00 H new ATOM 817 N LYS A 51 -1.353 -4.466 -3.816 1.00 0.00 N ATOM 818 CA LYS A 51 -2.066 -5.673 -3.463 1.00 0.00 C ATOM 819 C LYS A 51 -1.102 -6.699 -2.957 1.00 0.00 C ATOM 820 O LYS A 51 -1.264 -7.258 -1.875 1.00 0.00 O ATOM 821 CB LYS A 51 -2.792 -6.280 -4.687 1.00 0.00 C ATOM 822 CG LYS A 51 -3.726 -7.464 -4.373 1.00 0.00 C ATOM 823 CD LYS A 51 -4.888 -7.117 -3.424 1.00 0.00 C ATOM 824 CE LYS A 51 -5.805 -8.308 -3.108 1.00 0.00 C ATOM 825 NZ LYS A 51 -5.077 -9.366 -2.368 1.00 0.00 N ATOM 0 H LYS A 51 -1.382 -4.268 -4.816 1.00 0.00 H new ATOM 0 HA LYS A 51 -2.798 -5.407 -2.700 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -3.375 -5.496 -5.170 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -2.043 -6.609 -5.407 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -4.137 -7.846 -5.308 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -3.138 -8.268 -3.931 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -4.480 -6.727 -2.492 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -5.483 -6.320 -3.869 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -6.656 -7.968 -2.518 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -6.204 -8.719 -4.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -5.749 -10.093 -2.051 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -4.367 -9.800 -2.992 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -4.604 -8.948 -1.541 1.00 0.00 H new ATOM 839 N ILE A 52 -0.048 -6.916 -3.767 1.00 0.00 N ATOM 840 CA ILE A 52 1.057 -7.801 -3.552 1.00 0.00 C ATOM 841 C ILE A 52 1.832 -7.368 -2.336 1.00 0.00 C ATOM 842 O ILE A 52 2.158 -8.192 -1.485 1.00 0.00 O ATOM 843 CB ILE A 52 1.897 -7.806 -4.825 1.00 0.00 C ATOM 844 CG1 ILE A 52 1.126 -8.565 -5.937 1.00 0.00 C ATOM 845 CG2 ILE A 52 3.300 -8.379 -4.564 1.00 0.00 C ATOM 846 CD1 ILE A 52 1.793 -8.520 -7.315 1.00 0.00 C ATOM 0 H ILE A 52 0.036 -6.424 -4.656 1.00 0.00 H new ATOM 0 HA ILE A 52 0.725 -8.820 -3.352 1.00 0.00 H new ATOM 0 HB ILE A 52 2.058 -6.784 -5.167 1.00 0.00 H new ATOM 0 HG12 ILE A 52 1.012 -9.606 -5.636 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.124 -8.145 -6.018 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.875 -8.370 -5.490 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.808 -7.771 -3.815 1.00 0.00 H new ATOM 0 HG23 ILE A 52 3.213 -9.403 -4.201 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.187 -9.075 -8.031 1.00 0.00 H new ATOM 0 HD12 ILE A 52 1.883 -7.484 -7.642 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.785 -8.969 -7.254 1.00 0.00 H new ATOM 858 N TRP A 53 2.101 -6.050 -2.235 1.00 0.00 N ATOM 859 CA TRP A 53 2.847 -5.426 -1.163 1.00 0.00 C ATOM 860 C TRP A 53 2.200 -5.622 0.190 1.00 0.00 C ATOM 861 O TRP A 53 2.897 -5.868 1.169 1.00 0.00 O ATOM 862 CB TRP A 53 3.038 -3.906 -1.423 1.00 0.00 C ATOM 863 CG TRP A 53 4.071 -3.192 -0.558 1.00 0.00 C ATOM 864 CD1 TRP A 53 5.389 -2.954 -0.823 1.00 0.00 C ATOM 865 CD2 TRP A 53 3.805 -2.596 0.724 1.00 0.00 C ATOM 866 NE1 TRP A 53 5.956 -2.222 0.194 1.00 0.00 N ATOM 867 CE2 TRP A 53 5.002 -1.989 1.156 1.00 0.00 C ATOM 868 CE3 TRP A 53 2.656 -2.541 1.504 1.00 0.00 C ATOM 869 CZ2 TRP A 53 5.063 -1.313 2.369 1.00 0.00 C ATOM 870 CZ3 TRP A 53 2.726 -1.903 2.746 1.00 0.00 C ATOM 871 CH2 TRP A 53 3.917 -1.301 3.176 1.00 0.00 C ATOM 0 H TRP A 53 1.784 -5.379 -2.935 1.00 0.00 H new ATOM 0 HA TRP A 53 3.818 -5.920 -1.147 1.00 0.00 H new ATOM 0 HB2 TRP A 53 3.316 -3.771 -2.468 1.00 0.00 H new ATOM 0 HB3 TRP A 53 2.076 -3.413 -1.283 1.00 0.00 H new ATOM 0 HD1 TRP A 53 5.912 -3.292 -1.705 1.00 0.00 H new ATOM 0 HE1 TRP A 53 6.925 -1.904 0.229 1.00 0.00 H new ATOM 0 HE3 TRP A 53 1.732 -2.980 1.159 1.00 0.00 H new ATOM 0 HZ2 TRP A 53 5.967 -0.811 2.681 1.00 0.00 H new ATOM 0 HZ3 TRP A 53 1.853 -1.874 3.381 1.00 0.00 H new ATOM 0 HH2 TRP A 53 3.952 -0.821 4.143 1.00 0.00 H new ATOM 882 N PHE A 54 0.850 -5.525 0.283 1.00 0.00 N ATOM 883 CA PHE A 54 0.127 -5.643 1.533 1.00 0.00 C ATOM 884 C PHE A 54 0.099 -7.070 1.991 1.00 0.00 C ATOM 885 O PHE A 54 0.187 -7.309 3.189 1.00 0.00 O ATOM 886 CB PHE A 54 -1.344 -5.143 1.454 1.00 0.00 C ATOM 887 CG PHE A 54 -1.464 -3.750 2.020 1.00 0.00 C ATOM 888 CD1 PHE A 54 -0.870 -2.656 1.375 1.00 0.00 C ATOM 889 CD2 PHE A 54 -2.158 -3.522 3.222 1.00 0.00 C ATOM 890 CE1 PHE A 54 -0.950 -1.366 1.911 1.00 0.00 C ATOM 891 CE2 PHE A 54 -2.237 -2.235 3.768 1.00 0.00 C ATOM 892 CZ PHE A 54 -1.623 -1.155 3.120 1.00 0.00 C ATOM 0 H PHE A 54 0.247 -5.362 -0.523 1.00 0.00 H new ATOM 0 HA PHE A 54 0.665 -5.008 2.236 1.00 0.00 H new ATOM 0 HB2 PHE A 54 -1.681 -5.150 0.417 1.00 0.00 H new ATOM 0 HB3 PHE A 54 -1.994 -5.822 2.005 1.00 0.00 H new ATOM 0 HD1 PHE A 54 -0.341 -2.812 0.447 1.00 0.00 H new ATOM 0 HD2 PHE A 54 -2.635 -4.348 3.729 1.00 0.00 H new ATOM 0 HE1 PHE A 54 -0.494 -0.535 1.393 1.00 0.00 H new ATOM 0 HE2 PHE A 54 -2.773 -2.074 4.692 1.00 0.00 H new ATOM 0 HZ PHE A 54 -1.669 -0.166 3.551 1.00 0.00 H new ATOM 902 N GLN A 55 -0.008 -8.052 1.063 1.00 0.00 N ATOM 903 CA GLN A 55 -0.068 -9.454 1.396 1.00 0.00 C ATOM 904 C GLN A 55 1.271 -9.979 1.850 1.00 0.00 C ATOM 905 O GLN A 55 1.329 -10.980 2.560 1.00 0.00 O ATOM 906 CB GLN A 55 -0.568 -10.297 0.202 1.00 0.00 C ATOM 907 CG GLN A 55 -2.060 -10.082 -0.129 1.00 0.00 C ATOM 908 CD GLN A 55 -2.953 -10.487 1.055 1.00 0.00 C ATOM 909 OE1 GLN A 55 -3.603 -9.631 1.668 1.00 0.00 O ATOM 910 NE2 GLN A 55 -2.980 -11.819 1.368 1.00 0.00 N ATOM 0 H GLN A 55 -0.054 -7.868 0.061 1.00 0.00 H new ATOM 0 HA GLN A 55 -0.777 -9.546 2.219 1.00 0.00 H new ATOM 0 HB2 GLN A 55 0.029 -10.054 -0.677 1.00 0.00 H new ATOM 0 HB3 GLN A 55 -0.402 -11.352 0.419 1.00 0.00 H new ATOM 0 HG2 GLN A 55 -2.233 -9.035 -0.378 1.00 0.00 H new ATOM 0 HG3 GLN A 55 -2.329 -10.667 -1.008 1.00 0.00 H new ATOM 0 HE21 GLN A 55 -2.423 -12.481 0.828 1.00 0.00 H new ATOM 0 HE22 GLN A 55 -3.557 -12.150 2.141 1.00 0.00 H new ATOM 919 N ASN A 56 2.375 -9.286 1.482 1.00 0.00 N ATOM 920 CA ASN A 56 3.712 -9.563 1.949 1.00 0.00 C ATOM 921 C ASN A 56 3.848 -9.143 3.392 1.00 0.00 C ATOM 922 O ASN A 56 4.402 -9.877 4.207 1.00 0.00 O ATOM 923 CB ASN A 56 4.772 -8.768 1.148 1.00 0.00 C ATOM 924 CG ASN A 56 4.867 -9.255 -0.308 1.00 0.00 C ATOM 925 OD1 ASN A 56 4.446 -10.365 -0.647 1.00 0.00 O ATOM 926 ND2 ASN A 56 5.453 -8.378 -1.182 1.00 0.00 N ATOM 0 H ASN A 56 2.335 -8.500 0.833 1.00 0.00 H new ATOM 0 HA ASN A 56 3.877 -10.633 1.824 1.00 0.00 H new ATOM 0 HB2 ASN A 56 4.519 -7.708 1.161 1.00 0.00 H new ATOM 0 HB3 ASN A 56 5.744 -8.870 1.630 1.00 0.00 H new ATOM 0 HD21 ASN A 56 5.558 -8.631 -2.165 1.00 0.00 H new ATOM 0 HD22 ASN A 56 5.784 -7.472 -0.850 1.00 0.00 H new ATOM 933 N LYS A 57 3.333 -7.938 3.728 1.00 0.00 N ATOM 934 CA LYS A 57 3.412 -7.350 5.052 1.00 0.00 C ATOM 935 C LYS A 57 2.432 -7.955 6.023 1.00 0.00 C ATOM 936 O LYS A 57 2.595 -7.830 7.236 1.00 0.00 O ATOM 937 CB LYS A 57 3.171 -5.820 5.014 1.00 0.00 C ATOM 938 CG LYS A 57 4.231 -5.033 4.224 1.00 0.00 C ATOM 939 CD LYS A 57 5.687 -5.352 4.599 1.00 0.00 C ATOM 940 CE LYS A 57 6.040 -5.029 6.059 1.00 0.00 C ATOM 941 NZ LYS A 57 7.467 -5.307 6.332 1.00 0.00 N ATOM 0 H LYS A 57 2.842 -7.346 3.057 1.00 0.00 H new ATOM 0 HA LYS A 57 4.424 -7.562 5.396 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.192 -5.629 4.576 1.00 0.00 H new ATOM 0 HB3 LYS A 57 3.142 -5.443 6.036 1.00 0.00 H new ATOM 0 HG2 LYS A 57 4.093 -5.232 3.161 1.00 0.00 H new ATOM 0 HG3 LYS A 57 4.058 -3.967 4.374 1.00 0.00 H new ATOM 0 HD2 LYS A 57 5.875 -6.410 4.416 1.00 0.00 H new ATOM 0 HD3 LYS A 57 6.352 -4.791 3.942 1.00 0.00 H new ATOM 0 HE2 LYS A 57 5.824 -3.981 6.266 1.00 0.00 H new ATOM 0 HE3 LYS A 57 5.416 -5.622 6.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 7.681 -5.081 7.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 7.665 -6.313 6.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 8.060 -4.723 5.708 1.00 0.00 H new