USER MOD reduce.3.24.130724 H: found=0, std=0, add=300, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 251 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 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 30 SER OG : rot 39:sc= -0.745 USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= -0.881 X(o=-0.88,f=-0.88) USER MOD Single : A 40 SER OG : rot -81:sc= 0.538 USER MOD Single : A 44 HIS :FLIP no HD1:sc= -0.857 F(o=-2.2!,f=-0.86) USER MOD Single : A 46 ASN :FLIP amide:sc= -5.1! C(o=-6.2!,f=-5.1!) USER MOD Single : A 47 CYS SG : rot -8:sc= 0.386 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 157:sc= -0.0346 (180deg=-0.168) USER MOD ----------------------------------------------------------------- ATOM 253 N PRO A 18 -13.082 24.844 -7.384 1.00 0.00 N ATOM 254 CA PRO A 18 -11.861 25.633 -7.411 1.00 0.00 C ATOM 255 C PRO A 18 -10.633 24.737 -7.577 1.00 0.00 C ATOM 256 O PRO A 18 -10.153 24.535 -8.691 1.00 0.00 O ATOM 257 CB PRO A 18 -11.862 26.404 -6.101 1.00 0.00 C ATOM 258 CG PRO A 18 -12.834 25.675 -5.188 1.00 0.00 C ATOM 259 CD PRO A 18 -13.651 24.720 -6.044 1.00 0.00 C ATOM 0 HA PRO A 18 -11.820 26.316 -8.259 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -10.864 26.433 -5.665 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -12.172 27.437 -6.256 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -12.294 25.128 -4.415 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -13.486 26.385 -4.680 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -13.578 23.697 -5.676 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -14.708 24.987 -6.036 1.00 0.00 H new ATOM 264 N PHE A 19 -10.158 24.222 -6.452 1.00 0.00 N ATOM 265 CA PHE A 19 -8.995 23.352 -6.459 1.00 0.00 C ATOM 266 C PHE A 19 -8.643 22.897 -5.041 1.00 0.00 C ATOM 267 O PHE A 19 -8.427 21.710 -4.802 1.00 0.00 O ATOM 268 CB PHE A 19 -7.830 24.167 -7.024 1.00 0.00 C ATOM 269 CG PHE A 19 -6.786 23.329 -7.764 1.00 0.00 C ATOM 270 CD1 PHE A 19 -5.962 22.501 -7.068 1.00 0.00 C ATOM 271 CD2 PHE A 19 -6.681 23.413 -9.117 1.00 0.00 C ATOM 272 CE1 PHE A 19 -4.993 21.723 -7.755 1.00 0.00 C ATOM 273 CE2 PHE A 19 -5.711 22.636 -9.803 1.00 0.00 C ATOM 274 CZ PHE A 19 -4.888 21.806 -9.108 1.00 0.00 C ATOM 0 H PHE A 19 -10.558 24.391 -5.529 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.198 22.464 -7.057 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.224 24.922 -7.705 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -7.342 24.698 -6.207 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -6.045 22.435 -5.993 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -7.335 24.071 -9.670 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.339 21.065 -7.202 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -5.627 22.704 -10.878 1.00 0.00 H new ATOM 0 HZ PHE A 19 -4.152 21.213 -9.630 1.00 0.00 H new ATOM 283 N ARG A 20 -8.596 23.865 -4.137 1.00 0.00 N ATOM 284 CA ARG A 20 -8.273 23.579 -2.750 1.00 0.00 C ATOM 285 C ARG A 20 -9.355 22.696 -2.124 1.00 0.00 C ATOM 286 O ARG A 20 -9.071 21.891 -1.240 1.00 0.00 O ATOM 287 CB ARG A 20 -8.144 24.869 -1.937 1.00 0.00 C ATOM 288 CG ARG A 20 -9.517 25.481 -1.658 1.00 0.00 C ATOM 289 CD ARG A 20 -10.092 26.136 -2.916 1.00 0.00 C ATOM 290 NE ARG A 20 -11.183 27.066 -2.549 1.00 0.00 N ATOM 291 CZ ARG A 20 -10.989 28.274 -2.001 1.00 0.00 C ATOM 292 NH1 ARG A 20 -9.745 28.704 -1.752 1.00 0.00 N ATOM 293 NH2 ARG A 20 -12.039 29.049 -1.700 1.00 0.00 N ATOM 0 H ARG A 20 -8.776 24.848 -4.339 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.317 23.055 -2.734 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -7.637 24.660 -0.995 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -7.526 25.585 -2.480 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -10.198 24.708 -1.303 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -9.434 26.222 -0.863 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -9.307 26.675 -3.447 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.468 25.371 -3.595 1.00 0.00 H new ATOM 0 HE ARG A 20 -12.143 26.769 -2.724 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -8.946 28.112 -1.979 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -9.597 29.623 -1.335 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -12.986 28.720 -1.888 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -11.892 29.968 -1.283 1.00 0.00 H new ATOM 304 N ALA A 21 -10.575 22.879 -2.608 1.00 0.00 N ATOM 305 CA ALA A 21 -11.702 22.109 -2.108 1.00 0.00 C ATOM 306 C ALA A 21 -11.422 20.617 -2.303 1.00 0.00 C ATOM 307 O ALA A 21 -11.826 19.794 -1.483 1.00 0.00 O ATOM 308 CB ALA A 21 -12.982 22.559 -2.815 1.00 0.00 C ATOM 0 H ALA A 21 -10.808 23.549 -3.341 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.841 22.282 -1.041 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.827 21.982 -2.440 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -13.152 23.618 -2.621 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -12.881 22.398 -3.888 1.00 0.00 H new ATOM 314 N TYR A 22 -10.733 20.315 -3.393 1.00 0.00 N ATOM 315 CA TYR A 22 -10.394 18.937 -3.706 1.00 0.00 C ATOM 316 C TYR A 22 -9.261 18.433 -2.808 1.00 0.00 C ATOM 317 O TYR A 22 -9.249 17.268 -2.414 1.00 0.00 O ATOM 318 CB TYR A 22 -9.914 18.940 -5.159 1.00 0.00 C ATOM 319 CG TYR A 22 -10.986 18.528 -6.170 1.00 0.00 C ATOM 320 CD1 TYR A 22 -11.757 17.408 -5.938 1.00 0.00 C ATOM 321 CD2 TYR A 22 -11.180 19.277 -7.313 1.00 0.00 C ATOM 322 CE1 TYR A 22 -12.766 17.020 -6.890 1.00 0.00 C ATOM 323 CE2 TYR A 22 -12.190 18.890 -8.264 1.00 0.00 C ATOM 324 CZ TYR A 22 -12.932 17.780 -8.005 1.00 0.00 C ATOM 325 OH TYR A 22 -13.886 17.414 -8.904 1.00 0.00 O ATOM 0 H TYR A 22 -10.400 21.001 -4.071 1.00 0.00 H new ATOM 0 HA TYR A 22 -11.254 18.286 -3.551 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -9.557 19.939 -5.411 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -9.064 18.264 -5.251 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -11.604 16.823 -5.043 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -10.575 20.153 -7.494 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -13.377 16.145 -6.722 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -12.354 19.468 -9.162 1.00 0.00 H new ATOM 0 HH TYR A 22 -13.893 18.049 -9.650 1.00 0.00 H new ATOM 334 N LEU A 23 -8.338 19.336 -2.512 1.00 0.00 N ATOM 335 CA LEU A 23 -7.205 18.997 -1.668 1.00 0.00 C ATOM 336 C LEU A 23 -7.713 18.478 -0.323 1.00 0.00 C ATOM 337 O LEU A 23 -7.250 17.448 0.165 1.00 0.00 O ATOM 338 CB LEU A 23 -6.252 20.189 -1.547 1.00 0.00 C ATOM 339 CG LEU A 23 -5.579 20.374 -0.186 1.00 0.00 C ATOM 340 CD1 LEU A 23 -6.594 20.800 0.875 1.00 0.00 C ATOM 341 CD2 LEU A 23 -4.816 19.112 0.224 1.00 0.00 C ATOM 0 H LEU A 23 -8.351 20.301 -2.841 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.621 18.195 -2.119 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.474 20.085 -2.304 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.806 21.097 -1.782 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.849 21.178 -0.273 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -6.089 20.924 1.833 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -7.053 21.744 0.581 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.365 20.036 0.968 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.347 19.270 1.195 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.509 18.273 0.288 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.049 18.893 -0.519 1.00 0.00 H new ATOM 352 N GLU A 24 -8.660 19.214 0.241 1.00 0.00 N ATOM 353 CA GLU A 24 -9.237 18.840 1.521 1.00 0.00 C ATOM 354 C GLU A 24 -9.732 17.393 1.478 1.00 0.00 C ATOM 355 O GLU A 24 -9.788 16.721 2.507 1.00 0.00 O ATOM 356 CB GLU A 24 -10.368 19.794 1.912 1.00 0.00 C ATOM 357 CG GLU A 24 -10.292 20.154 3.397 1.00 0.00 C ATOM 358 CD GLU A 24 -10.157 21.665 3.589 1.00 0.00 C ATOM 359 OE1 GLU A 24 -9.001 22.142 3.550 1.00 0.00 O ATOM 360 OE2 GLU A 24 -11.211 22.311 3.770 1.00 0.00 O ATOM 0 H GLU A 24 -9.042 20.068 -0.166 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.461 18.916 2.283 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -10.308 20.701 1.311 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -11.331 19.331 1.695 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -11.187 19.798 3.907 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.441 19.648 3.854 1.00 0.00 H new ATOM 365 N SER A 25 -10.077 16.954 0.275 1.00 0.00 N ATOM 366 CA SER A 25 -10.566 15.600 0.085 1.00 0.00 C ATOM 367 C SER A 25 -9.556 14.596 0.647 1.00 0.00 C ATOM 368 O SER A 25 -9.901 13.445 0.913 1.00 0.00 O ATOM 369 CB SER A 25 -10.832 15.313 -1.394 1.00 0.00 C ATOM 370 OG SER A 25 -11.771 14.256 -1.572 1.00 0.00 O ATOM 0 H SER A 25 -10.027 17.513 -0.577 1.00 0.00 H new ATOM 0 HA SER A 25 -11.509 15.498 0.622 1.00 0.00 H new ATOM 0 HB2 SER A 25 -11.206 16.216 -1.877 1.00 0.00 H new ATOM 0 HB3 SER A 25 -9.895 15.053 -1.887 1.00 0.00 H new ATOM 0 HG SER A 25 -11.915 14.104 -2.529 1.00 0.00 H new ATOM 375 N GLU A 26 -8.329 15.068 0.811 1.00 0.00 N ATOM 376 CA GLU A 26 -7.267 14.226 1.337 1.00 0.00 C ATOM 377 C GLU A 26 -7.654 13.683 2.714 1.00 0.00 C ATOM 378 O GLU A 26 -7.203 12.609 3.109 1.00 0.00 O ATOM 379 CB GLU A 26 -5.943 14.991 1.401 1.00 0.00 C ATOM 380 CG GLU A 26 -5.983 16.066 2.489 1.00 0.00 C ATOM 381 CD GLU A 26 -4.703 16.904 2.479 1.00 0.00 C ATOM 382 OE1 GLU A 26 -3.922 16.736 1.518 1.00 0.00 O ATOM 383 OE2 GLU A 26 -4.534 17.694 3.432 1.00 0.00 O ATOM 0 H GLU A 26 -8.046 16.023 0.589 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.129 13.382 0.661 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.127 14.297 1.601 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.739 15.453 0.435 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -6.847 16.713 2.335 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.107 15.596 3.465 1.00 0.00 H new ATOM 388 N VAL A 27 -8.484 14.449 3.405 1.00 0.00 N ATOM 389 CA VAL A 27 -8.937 14.056 4.729 1.00 0.00 C ATOM 390 C VAL A 27 -9.960 12.926 4.600 1.00 0.00 C ATOM 391 O VAL A 27 -10.024 12.042 5.454 1.00 0.00 O ATOM 392 CB VAL A 27 -9.483 15.274 5.478 1.00 0.00 C ATOM 393 CG1 VAL A 27 -9.790 14.929 6.937 1.00 0.00 C ATOM 394 CG2 VAL A 27 -8.513 16.454 5.387 1.00 0.00 C ATOM 0 H VAL A 27 -8.855 15.340 3.074 1.00 0.00 H new ATOM 0 HA VAL A 27 -8.104 13.674 5.319 1.00 0.00 H new ATOM 0 HB VAL A 27 -10.417 15.570 5.000 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -10.176 15.812 7.446 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -10.535 14.134 6.974 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.878 14.595 7.432 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.925 17.306 5.927 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -7.556 16.173 5.827 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -8.366 16.724 4.341 1.00 0.00 H new ATOM 404 N ALA A 28 -10.734 12.991 3.527 1.00 0.00 N ATOM 405 CA ALA A 28 -11.750 11.984 3.275 1.00 0.00 C ATOM 406 C ALA A 28 -11.073 10.665 2.895 1.00 0.00 C ATOM 407 O ALA A 28 -11.398 9.615 3.446 1.00 0.00 O ATOM 408 CB ALA A 28 -12.706 12.483 2.190 1.00 0.00 C ATOM 0 H ALA A 28 -10.678 13.726 2.822 1.00 0.00 H new ATOM 0 HA ALA A 28 -12.342 11.804 4.172 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -13.468 11.727 2.001 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -13.184 13.405 2.522 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.148 12.673 1.273 1.00 0.00 H new ATOM 414 N ILE A 29 -10.145 10.764 1.955 1.00 0.00 N ATOM 415 CA ILE A 29 -9.419 9.592 1.495 1.00 0.00 C ATOM 416 C ILE A 29 -8.703 8.943 2.680 1.00 0.00 C ATOM 417 O ILE A 29 -8.655 7.718 2.787 1.00 0.00 O ATOM 418 CB ILE A 29 -8.486 9.960 0.339 1.00 0.00 C ATOM 419 CG1 ILE A 29 -7.159 10.515 0.861 1.00 0.00 C ATOM 420 CG2 ILE A 29 -9.169 10.926 -0.631 1.00 0.00 C ATOM 421 CD1 ILE A 29 -6.099 10.531 -0.243 1.00 0.00 C ATOM 0 H ILE A 29 -9.879 11.637 1.499 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.109 8.850 1.094 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.258 9.051 -0.218 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.308 11.525 1.242 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -6.810 9.908 1.696 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -8.484 11.171 -1.443 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.064 10.458 -1.040 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -9.446 11.838 -0.102 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.166 10.930 0.154 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -5.935 9.516 -0.605 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -6.440 11.159 -1.066 1.00 0.00 H new ATOM 432 N SER A 30 -8.163 9.793 3.543 1.00 0.00 N ATOM 433 CA SER A 30 -7.451 9.316 4.717 1.00 0.00 C ATOM 434 C SER A 30 -8.346 8.373 5.524 1.00 0.00 C ATOM 435 O SER A 30 -7.880 7.353 6.030 1.00 0.00 O ATOM 436 CB SER A 30 -6.987 10.484 5.590 1.00 0.00 C ATOM 437 OG SER A 30 -6.075 11.336 4.902 1.00 0.00 O ATOM 0 H SER A 30 -8.204 10.808 3.452 1.00 0.00 H new ATOM 0 HA SER A 30 -6.567 8.772 4.385 1.00 0.00 H new ATOM 0 HB2 SER A 30 -7.853 11.063 5.910 1.00 0.00 H new ATOM 0 HB3 SER A 30 -6.512 10.097 6.491 1.00 0.00 H new ATOM 0 HG SER A 30 -6.358 11.432 3.969 1.00 0.00 H new ATOM 442 N GLU A 31 -9.613 8.747 5.619 1.00 0.00 N ATOM 443 CA GLU A 31 -10.576 7.946 6.356 1.00 0.00 C ATOM 444 C GLU A 31 -10.848 6.633 5.620 1.00 0.00 C ATOM 445 O GLU A 31 -10.937 5.576 6.242 1.00 0.00 O ATOM 446 CB GLU A 31 -11.873 8.725 6.586 1.00 0.00 C ATOM 447 CG GLU A 31 -13.062 7.775 6.744 1.00 0.00 C ATOM 448 CD GLU A 31 -12.877 6.862 7.959 1.00 0.00 C ATOM 449 OE1 GLU A 31 -11.703 6.599 8.298 1.00 0.00 O ATOM 450 OE2 GLU A 31 -13.914 6.449 8.522 1.00 0.00 O ATOM 0 H GLU A 31 -9.995 9.594 5.198 1.00 0.00 H new ATOM 0 HA GLU A 31 -10.153 7.711 7.333 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.776 9.344 7.478 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.050 9.399 5.748 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -13.980 8.351 6.854 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -13.171 7.170 5.844 1.00 0.00 H new ATOM 455 N GLU A 32 -10.973 6.742 4.306 1.00 0.00 N ATOM 456 CA GLU A 32 -11.233 5.577 3.478 1.00 0.00 C ATOM 457 C GLU A 32 -10.002 4.669 3.440 1.00 0.00 C ATOM 458 O GLU A 32 -10.122 3.450 3.557 1.00 0.00 O ATOM 459 CB GLU A 32 -11.654 5.989 2.067 1.00 0.00 C ATOM 460 CG GLU A 32 -13.024 5.406 1.711 1.00 0.00 C ATOM 461 CD GLU A 32 -13.566 6.029 0.423 1.00 0.00 C ATOM 462 OE1 GLU A 32 -13.666 7.274 0.391 1.00 0.00 O ATOM 463 OE2 GLU A 32 -13.870 5.244 -0.502 1.00 0.00 O ATOM 0 H GLU A 32 -10.899 7.621 3.793 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.059 5.019 3.919 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.688 7.076 1.997 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -10.911 5.646 1.347 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.944 4.326 1.591 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.723 5.585 2.528 1.00 0.00 H new ATOM 468 N LEU A 33 -8.847 5.296 3.275 1.00 0.00 N ATOM 469 CA LEU A 33 -7.596 4.559 3.219 1.00 0.00 C ATOM 470 C LEU A 33 -7.563 3.533 4.353 1.00 0.00 C ATOM 471 O LEU A 33 -7.269 2.361 4.126 1.00 0.00 O ATOM 472 CB LEU A 33 -6.407 5.521 3.227 1.00 0.00 C ATOM 473 CG LEU A 33 -5.320 5.251 2.186 1.00 0.00 C ATOM 474 CD1 LEU A 33 -5.869 5.403 0.766 1.00 0.00 C ATOM 475 CD2 LEU A 33 -4.097 6.140 2.425 1.00 0.00 C ATOM 0 H LEU A 33 -8.751 6.307 3.178 1.00 0.00 H new ATOM 0 HA LEU A 33 -7.522 4.004 2.284 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.783 6.533 3.077 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -5.950 5.494 4.216 1.00 0.00 H new ATOM 0 HG LEU A 33 -4.993 4.217 2.296 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -5.075 5.205 0.046 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -6.683 4.694 0.613 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -6.241 6.418 0.626 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -3.340 5.927 1.671 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.390 7.188 2.359 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.689 5.939 3.416 1.00 0.00 H new ATOM 486 N VAL A 34 -7.871 4.011 5.551 1.00 0.00 N ATOM 487 CA VAL A 34 -7.879 3.150 6.721 1.00 0.00 C ATOM 488 C VAL A 34 -8.937 2.059 6.538 1.00 0.00 C ATOM 489 O VAL A 34 -8.745 0.924 6.972 1.00 0.00 O ATOM 490 CB VAL A 34 -8.095 3.985 7.984 1.00 0.00 C ATOM 491 CG1 VAL A 34 -7.699 3.199 9.236 1.00 0.00 C ATOM 492 CG2 VAL A 34 -7.332 5.308 7.903 1.00 0.00 C ATOM 0 H VAL A 34 -8.117 4.984 5.736 1.00 0.00 H new ATOM 0 HA VAL A 34 -6.915 2.654 6.837 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.158 4.215 8.056 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -7.862 3.816 10.120 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -8.306 2.296 9.306 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -6.646 2.924 9.175 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -7.503 5.883 8.813 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -6.266 5.107 7.795 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -7.683 5.878 7.043 1.00 0.00 H new ATOM 502 N GLN A 35 -10.030 2.441 5.894 1.00 0.00 N ATOM 503 CA GLN A 35 -11.118 1.509 5.647 1.00 0.00 C ATOM 504 C GLN A 35 -10.705 0.477 4.598 1.00 0.00 C ATOM 505 O GLN A 35 -11.255 -0.624 4.554 1.00 0.00 O ATOM 506 CB GLN A 35 -12.387 2.250 5.219 1.00 0.00 C ATOM 507 CG GLN A 35 -13.124 2.821 6.431 1.00 0.00 C ATOM 508 CD GLN A 35 -14.629 2.909 6.167 1.00 0.00 C ATOM 509 OE1 GLN A 35 -15.142 3.902 5.676 1.00 0.00 O ATOM 510 NE2 GLN A 35 -15.305 1.819 6.518 1.00 0.00 N ATOM 0 H GLN A 35 -10.186 3.383 5.536 1.00 0.00 H new ATOM 0 HA GLN A 35 -11.339 0.984 6.576 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -12.127 3.057 4.534 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.044 1.570 4.677 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -12.940 2.192 7.302 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -12.734 3.812 6.665 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -14.813 1.023 6.924 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -16.315 1.779 6.381 1.00 0.00 H new ATOM 517 N LYS A 36 -9.740 0.866 3.778 1.00 0.00 N ATOM 518 CA LYS A 36 -9.247 -0.013 2.731 1.00 0.00 C ATOM 519 C LYS A 36 -8.714 -1.301 3.362 1.00 0.00 C ATOM 520 O LYS A 36 -8.740 -2.360 2.737 1.00 0.00 O ATOM 521 CB LYS A 36 -8.221 0.714 1.859 1.00 0.00 C ATOM 522 CG LYS A 36 -8.852 1.923 1.165 1.00 0.00 C ATOM 523 CD LYS A 36 -10.201 1.556 0.543 1.00 0.00 C ATOM 524 CE LYS A 36 -10.590 2.553 -0.550 1.00 0.00 C ATOM 525 NZ LYS A 36 -11.697 2.014 -1.372 1.00 0.00 N ATOM 0 H LYS A 36 -9.286 1.779 3.817 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.057 -0.297 2.060 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -7.382 1.040 2.473 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -7.822 0.028 1.112 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -8.987 2.730 1.885 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -8.180 2.295 0.391 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -10.150 0.552 0.123 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -10.970 1.540 1.316 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -10.891 3.498 -0.098 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -9.728 2.763 -1.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -11.949 2.703 -2.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -11.397 1.124 -1.818 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -12.524 1.836 -0.767 1.00 0.00 H new ATOM 535 N TYR A 37 -8.242 -1.169 4.593 1.00 0.00 N ATOM 536 CA TYR A 37 -7.704 -2.308 5.315 1.00 0.00 C ATOM 537 C TYR A 37 -8.551 -3.560 5.074 1.00 0.00 C ATOM 538 O TYR A 37 -8.048 -4.679 5.156 1.00 0.00 O ATOM 539 CB TYR A 37 -7.772 -1.938 6.798 1.00 0.00 C ATOM 540 CG TYR A 37 -9.090 -2.320 7.475 1.00 0.00 C ATOM 541 CD1 TYR A 37 -10.222 -1.560 7.259 1.00 0.00 C ATOM 542 CD2 TYR A 37 -9.147 -3.423 8.301 1.00 0.00 C ATOM 543 CE1 TYR A 37 -11.462 -1.919 7.896 1.00 0.00 C ATOM 544 CE2 TYR A 37 -10.388 -3.783 8.938 1.00 0.00 C ATOM 545 CZ TYR A 37 -11.484 -3.013 8.704 1.00 0.00 C ATOM 546 OH TYR A 37 -12.655 -3.352 9.306 1.00 0.00 O ATOM 0 H TYR A 37 -8.221 -0.289 5.109 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.688 -2.527 4.985 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -6.951 -2.427 7.322 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -7.620 -0.864 6.901 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -10.177 -0.696 6.612 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -8.261 -4.017 8.470 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -12.355 -1.333 7.736 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -10.446 -4.645 9.586 1.00 0.00 H new ATOM 0 HH TYR A 37 -12.522 -4.155 9.852 1.00 0.00 H new ATOM 555 N SER A 38 -9.822 -3.327 4.783 1.00 0.00 N ATOM 556 CA SER A 38 -10.745 -4.421 4.529 1.00 0.00 C ATOM 557 C SER A 38 -10.194 -5.324 3.424 1.00 0.00 C ATOM 558 O SER A 38 -10.326 -6.545 3.490 1.00 0.00 O ATOM 559 CB SER A 38 -12.130 -3.897 4.147 1.00 0.00 C ATOM 560 OG SER A 38 -13.124 -4.271 5.097 1.00 0.00 O ATOM 0 H SER A 38 -10.235 -2.397 4.717 1.00 0.00 H new ATOM 0 HA SER A 38 -10.848 -5.001 5.446 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.097 -2.811 4.066 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.405 -4.282 3.165 1.00 0.00 H new ATOM 0 HG SER A 38 -13.994 -3.916 4.818 1.00 0.00 H new ATOM 565 N ASN A 39 -9.588 -4.688 2.432 1.00 0.00 N ATOM 566 CA ASN A 39 -9.017 -5.418 1.314 1.00 0.00 C ATOM 567 C ASN A 39 -7.867 -6.295 1.815 1.00 0.00 C ATOM 568 O ASN A 39 -7.607 -7.361 1.260 1.00 0.00 O ATOM 569 CB ASN A 39 -8.457 -4.462 0.260 1.00 0.00 C ATOM 570 CG ASN A 39 -9.319 -4.472 -1.005 1.00 0.00 C ATOM 571 OD1 ASN A 39 -10.481 -4.104 -0.998 1.00 0.00 O ATOM 572 ND2 ASN A 39 -8.685 -4.915 -2.088 1.00 0.00 N ATOM 0 H ASN A 39 -9.480 -3.675 2.380 1.00 0.00 H new ATOM 0 HA ASN A 39 -9.807 -6.023 0.869 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.414 -3.452 0.667 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -7.435 -4.749 0.010 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -9.174 -4.961 -2.982 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -7.710 -5.208 -2.024 1.00 0.00 H new ATOM 578 N SER A 40 -7.210 -5.812 2.860 1.00 0.00 N ATOM 579 CA SER A 40 -6.095 -6.538 3.443 1.00 0.00 C ATOM 580 C SER A 40 -6.557 -7.920 3.911 1.00 0.00 C ATOM 581 O SER A 40 -5.735 -8.784 4.213 1.00 0.00 O ATOM 582 CB SER A 40 -5.481 -5.761 4.608 1.00 0.00 C ATOM 583 OG SER A 40 -5.900 -6.272 5.870 1.00 0.00 O ATOM 0 H SER A 40 -7.429 -4.927 3.317 1.00 0.00 H new ATOM 0 HA SER A 40 -5.328 -6.659 2.678 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.394 -5.806 4.541 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.761 -4.711 4.531 1.00 0.00 H new ATOM 0 HG SER A 40 -6.786 -5.915 6.090 1.00 0.00 H new ATOM 588 N ALA A 41 -7.871 -8.085 3.956 1.00 0.00 N ATOM 589 CA ALA A 41 -8.452 -9.347 4.383 1.00 0.00 C ATOM 590 C ALA A 41 -7.946 -10.470 3.475 1.00 0.00 C ATOM 591 O ALA A 41 -7.741 -11.594 3.929 1.00 0.00 O ATOM 592 CB ALA A 41 -9.978 -9.234 4.375 1.00 0.00 C ATOM 0 H ALA A 41 -8.550 -7.366 3.704 1.00 0.00 H new ATOM 0 HA ALA A 41 -8.147 -9.585 5.402 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.415 -10.180 4.695 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.288 -8.442 5.057 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.320 -8.999 3.367 1.00 0.00 H new ATOM 598 N LEU A 42 -7.758 -10.125 2.209 1.00 0.00 N ATOM 599 CA LEU A 42 -7.280 -11.090 1.234 1.00 0.00 C ATOM 600 C LEU A 42 -5.763 -11.230 1.364 1.00 0.00 C ATOM 601 O LEU A 42 -5.036 -11.093 0.381 1.00 0.00 O ATOM 602 CB LEU A 42 -7.743 -10.704 -0.173 1.00 0.00 C ATOM 603 CG LEU A 42 -9.206 -10.273 -0.303 1.00 0.00 C ATOM 604 CD1 LEU A 42 -10.060 -10.887 0.808 1.00 0.00 C ATOM 605 CD2 LEU A 42 -9.325 -8.747 -0.339 1.00 0.00 C ATOM 0 H LEU A 42 -7.928 -9.191 1.837 1.00 0.00 H new ATOM 0 HA LEU A 42 -7.710 -12.073 1.428 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -7.112 -9.891 -0.531 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -7.575 -11.553 -0.835 1.00 0.00 H new ATOM 0 HG LEU A 42 -9.591 -10.650 -1.250 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -11.095 -10.565 0.692 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -10.010 -11.974 0.747 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -9.685 -10.560 1.778 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -10.374 -8.466 -0.432 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.917 -8.328 0.581 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -8.769 -8.359 -1.192 1.00 0.00 H new ATOM 616 N GLY A 43 -5.328 -11.503 2.585 1.00 0.00 N ATOM 617 CA GLY A 43 -3.910 -11.664 2.857 1.00 0.00 C ATOM 618 C GLY A 43 -3.256 -10.317 3.171 1.00 0.00 C ATOM 619 O GLY A 43 -2.666 -10.142 4.237 1.00 0.00 O ATOM 0 H GLY A 43 -5.933 -11.617 3.398 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.772 -12.344 3.698 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.420 -12.118 1.996 1.00 0.00 H new ATOM 623 N HIS A 44 -3.381 -9.399 2.224 1.00 0.00 N ATOM 624 CA HIS A 44 -2.809 -8.073 2.386 1.00 0.00 C ATOM 625 C HIS A 44 -2.500 -7.477 1.011 1.00 0.00 C ATOM 626 O HIS A 44 -1.919 -8.145 0.157 1.00 0.00 O ATOM 627 CB HIS A 44 -1.585 -8.118 3.302 1.00 0.00 C ATOM 628 CG HIS A 44 -0.599 -6.999 3.066 1.00 0.00 C ATOM 629 ND1 HIS A 44 0.125 -6.669 1.958 1.00 0.00 N flip ATOM 630 CD2 HIS A 44 -0.270 -6.072 4.038 1.00 0.00 C flip ATOM 631 CE1 HIS A 44 0.856 -5.597 2.239 1.00 0.00 C flip ATOM 632 NE2 HIS A 44 0.613 -5.226 3.528 1.00 0.00 N flip ATOM 0 H HIS A 44 -3.870 -9.547 1.341 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.531 -7.418 2.874 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -1.919 -8.082 4.339 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -1.076 -9.072 3.164 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -0.666 -6.043 5.042 1.00 0.00 H new ATOM 0 HE1 HIS A 44 1.532 -5.101 1.558 1.00 0.00 H new ATOM 0 HE2 HIS A 44 1.037 -4.436 4.014 1.00 0.00 H new ATOM 640 N VAL A 45 -2.901 -6.226 0.840 1.00 0.00 N ATOM 641 CA VAL A 45 -2.673 -5.532 -0.416 1.00 0.00 C ATOM 642 C VAL A 45 -2.963 -4.041 -0.229 1.00 0.00 C ATOM 643 O VAL A 45 -2.079 -3.206 -0.413 1.00 0.00 O ATOM 644 CB VAL A 45 -3.512 -6.170 -1.525 1.00 0.00 C ATOM 645 CG1 VAL A 45 -2.618 -6.833 -2.576 1.00 0.00 C ATOM 646 CG2 VAL A 45 -4.515 -7.170 -0.948 1.00 0.00 C ATOM 0 H VAL A 45 -3.383 -5.675 1.550 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.631 -5.625 -0.721 1.00 0.00 H new ATOM 0 HB VAL A 45 -4.076 -5.377 -2.017 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.239 -7.279 -3.353 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -1.962 -6.084 -3.021 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -2.015 -7.609 -2.104 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.098 -7.609 -1.758 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -3.980 -7.958 -0.418 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.183 -6.657 -0.256 1.00 0.00 H new ATOM 656 N ASN A 46 -4.204 -3.753 0.134 1.00 0.00 N ATOM 657 CA ASN A 46 -4.621 -2.377 0.347 1.00 0.00 C ATOM 658 C ASN A 46 -3.979 -1.847 1.630 1.00 0.00 C ATOM 659 O ASN A 46 -3.681 -0.659 1.735 1.00 0.00 O ATOM 660 CB ASN A 46 -6.140 -2.280 0.504 1.00 0.00 C ATOM 661 CG ASN A 46 -6.836 -2.344 -0.858 1.00 0.00 C ATOM 662 OD1 ASN A 46 -8.051 -1.803 -0.869 1.00 0.00 O flip ATOM 663 ND2 ASN A 46 -6.306 -2.850 -1.832 1.00 0.00 N flip ATOM 0 H ASN A 46 -4.934 -4.449 0.286 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.310 -1.792 -0.519 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -6.497 -3.092 1.137 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -6.399 -1.347 1.006 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -5.370 -3.248 -1.754 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.799 -2.876 -2.725 1.00 0.00 H new ATOM 669 N CYS A 47 -3.785 -2.756 2.576 1.00 0.00 N ATOM 670 CA CYS A 47 -3.183 -2.395 3.849 1.00 0.00 C ATOM 671 C CYS A 47 -1.837 -1.725 3.570 1.00 0.00 C ATOM 672 O CYS A 47 -1.400 -0.861 4.331 1.00 0.00 O ATOM 673 CB CYS A 47 -3.038 -3.608 4.770 1.00 0.00 C ATOM 674 SG CYS A 47 -1.988 -3.180 6.206 1.00 0.00 S ATOM 0 H CYS A 47 -4.034 -3.741 2.486 1.00 0.00 H new ATOM 0 HA CYS A 47 -3.832 -1.697 4.377 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -4.020 -3.935 5.112 1.00 0.00 H new ATOM 0 HB3 CYS A 47 -2.597 -4.441 4.222 1.00 0.00 H new ATOM 0 HG CYS A 47 -1.472 -2.000 6.030 1.00 0.00 H new ATOM 679 N THR A 48 -1.216 -2.148 2.479 1.00 0.00 N ATOM 680 CA THR A 48 0.073 -1.600 2.092 1.00 0.00 C ATOM 681 C THR A 48 -0.037 -0.091 1.860 1.00 0.00 C ATOM 682 O THR A 48 0.899 0.654 2.147 1.00 0.00 O ATOM 683 CB THR A 48 0.564 -2.368 0.863 1.00 0.00 C ATOM 684 OG1 THR A 48 1.983 -2.344 0.983 1.00 0.00 O ATOM 685 CG2 THR A 48 0.287 -1.622 -0.444 1.00 0.00 C ATOM 0 H THR A 48 -1.581 -2.864 1.851 1.00 0.00 H new ATOM 0 HA THR A 48 0.809 -1.723 2.886 1.00 0.00 H new ATOM 0 HB THR A 48 0.084 -3.346 0.831 1.00 0.00 H new ATOM 0 HG1 THR A 48 2.383 -2.822 0.227 1.00 0.00 H new ATOM 0 HG21 THR A 48 0.655 -2.211 -1.284 1.00 0.00 H new ATOM 0 HG22 THR A 48 -0.786 -1.466 -0.553 1.00 0.00 H new ATOM 0 HG23 THR A 48 0.794 -0.657 -0.427 1.00 0.00 H new ATOM 693 N ILE A 49 -1.188 0.314 1.345 1.00 0.00 N ATOM 694 CA ILE A 49 -1.433 1.720 1.073 1.00 0.00 C ATOM 695 C ILE A 49 -1.657 2.459 2.393 1.00 0.00 C ATOM 696 O ILE A 49 -1.291 3.626 2.524 1.00 0.00 O ATOM 697 CB ILE A 49 -2.581 1.880 0.074 1.00 0.00 C ATOM 698 CG1 ILE A 49 -2.055 1.943 -1.361 1.00 0.00 C ATOM 699 CG2 ILE A 49 -3.445 3.095 0.423 1.00 0.00 C ATOM 700 CD1 ILE A 49 -1.110 0.776 -1.651 1.00 0.00 C ATOM 0 H ILE A 49 -1.962 -0.307 1.109 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.563 2.174 0.598 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.220 1.000 0.143 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.891 1.920 -2.060 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -1.533 2.886 -1.519 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -4.254 3.187 -0.302 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -3.865 2.968 1.421 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.832 3.996 0.399 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -0.751 0.845 -2.678 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.263 0.815 -0.967 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -1.642 -0.166 -1.516 1.00 0.00 H new ATOM 711 N LYS A 50 -2.258 1.750 3.337 1.00 0.00 N ATOM 712 CA LYS A 50 -2.536 2.324 4.642 1.00 0.00 C ATOM 713 C LYS A 50 -1.251 2.925 5.215 1.00 0.00 C ATOM 714 O LYS A 50 -1.294 3.913 5.946 1.00 0.00 O ATOM 715 CB LYS A 50 -3.191 1.287 5.556 1.00 0.00 C ATOM 716 CG LYS A 50 -4.517 0.799 4.971 1.00 0.00 C ATOM 717 CD LYS A 50 -5.266 -0.085 5.969 1.00 0.00 C ATOM 718 CE LYS A 50 -5.392 0.608 7.328 1.00 0.00 C ATOM 719 NZ LYS A 50 -4.413 0.050 8.287 1.00 0.00 N ATOM 0 H LYS A 50 -2.560 0.782 3.224 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.257 3.137 4.554 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -2.517 0.441 5.694 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -3.362 1.722 6.541 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -5.136 1.655 4.702 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -4.330 0.240 4.054 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -6.258 -0.317 5.582 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -4.740 -1.032 6.087 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -5.227 1.679 7.213 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -6.403 0.481 7.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -4.229 0.745 9.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.796 -0.821 8.707 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -3.525 -0.166 7.790 1.00 0.00 H new ATOM 729 N GLU A 51 -0.136 2.302 4.859 1.00 0.00 N ATOM 730 CA GLU A 51 1.160 2.762 5.329 1.00 0.00 C ATOM 731 C GLU A 51 1.334 4.253 5.031 1.00 0.00 C ATOM 732 O GLU A 51 2.024 4.959 5.764 1.00 0.00 O ATOM 733 CB GLU A 51 2.292 1.942 4.706 1.00 0.00 C ATOM 734 CG GLU A 51 2.131 0.455 5.025 1.00 0.00 C ATOM 735 CD GLU A 51 3.495 -0.224 5.178 1.00 0.00 C ATOM 736 OE1 GLU A 51 4.337 -0.011 4.280 1.00 0.00 O ATOM 737 OE2 GLU A 51 3.663 -0.939 6.188 1.00 0.00 O ATOM 0 H GLU A 51 -0.104 1.483 4.251 1.00 0.00 H new ATOM 0 HA GLU A 51 1.205 2.620 6.409 1.00 0.00 H new ATOM 0 HB2 GLU A 51 2.299 2.087 3.626 1.00 0.00 H new ATOM 0 HB3 GLU A 51 3.252 2.296 5.082 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.557 0.337 5.944 1.00 0.00 H new ATOM 0 HG3 GLU A 51 1.565 -0.032 4.231 1.00 0.00 H new ATOM 742 N LEU A 52 0.696 4.687 3.954 1.00 0.00 N ATOM 743 CA LEU A 52 0.772 6.080 3.549 1.00 0.00 C ATOM 744 C LEU A 52 0.287 6.967 4.698 1.00 0.00 C ATOM 745 O LEU A 52 0.995 7.877 5.127 1.00 0.00 O ATOM 746 CB LEU A 52 0.012 6.299 2.240 1.00 0.00 C ATOM 747 CG LEU A 52 0.693 5.778 0.973 1.00 0.00 C ATOM 748 CD1 LEU A 52 -0.317 5.612 -0.164 1.00 0.00 C ATOM 749 CD2 LEU A 52 1.866 6.675 0.572 1.00 0.00 C ATOM 0 H LEU A 52 0.124 4.098 3.349 1.00 0.00 H new ATOM 0 HA LEU A 52 1.804 6.361 3.342 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.964 5.822 2.326 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -0.165 7.368 2.120 1.00 0.00 H new ATOM 0 HG LEU A 52 1.102 4.790 1.187 1.00 0.00 H new ATOM 0 HD11 LEU A 52 0.193 5.241 -1.053 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.088 4.902 0.135 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -0.777 6.575 -0.386 1.00 0.00 H new ATOM 0 HD21 LEU A 52 2.332 6.282 -0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.503 7.685 0.383 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.599 6.697 1.378 1.00 0.00 H new ATOM 760 N ARG A 53 -0.917 6.670 5.164 1.00 0.00 N ATOM 761 CA ARG A 53 -1.505 7.430 6.256 1.00 0.00 C ATOM 762 C ARG A 53 -0.580 7.409 7.475 1.00 0.00 C ATOM 763 O ARG A 53 -0.444 8.414 8.172 1.00 0.00 O ATOM 764 CB ARG A 53 -2.869 6.861 6.650 1.00 0.00 C ATOM 765 CG ARG A 53 -3.882 7.028 5.515 1.00 0.00 C ATOM 766 CD ARG A 53 -3.758 8.410 4.870 1.00 0.00 C ATOM 767 NE ARG A 53 -3.701 9.455 5.916 1.00 0.00 N ATOM 768 CZ ARG A 53 -3.527 10.760 5.667 1.00 0.00 C ATOM 769 NH1 ARG A 53 -3.391 11.188 4.404 1.00 0.00 N ATOM 770 NH2 ARG A 53 -3.488 11.637 6.680 1.00 0.00 N ATOM 0 H ARG A 53 -1.502 5.914 4.806 1.00 0.00 H new ATOM 0 HA ARG A 53 -1.637 8.456 5.913 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.768 5.805 6.899 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.233 7.366 7.544 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -3.722 6.256 4.763 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.892 6.892 5.901 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -2.861 8.453 4.253 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -4.607 8.590 4.211 1.00 0.00 H new ATOM 0 HE ARG A 53 -3.800 9.163 6.888 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.420 10.520 3.633 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -3.259 12.181 4.214 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -3.591 11.311 7.641 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -3.355 12.630 6.490 1.00 0.00 H new ATOM 781 N ARG A 54 0.031 6.255 7.694 1.00 0.00 N ATOM 782 CA ARG A 54 0.939 6.091 8.817 1.00 0.00 C ATOM 783 C ARG A 54 0.246 6.486 10.123 1.00 0.00 C ATOM 784 O ARG A 54 0.420 5.825 11.146 1.00 0.00 O ATOM 785 CB ARG A 54 2.197 6.944 8.638 1.00 0.00 C ATOM 786 CG ARG A 54 3.391 6.320 9.363 1.00 0.00 C ATOM 787 CD ARG A 54 3.644 7.017 10.703 1.00 0.00 C ATOM 788 NE ARG A 54 4.525 6.182 11.549 1.00 0.00 N ATOM 789 CZ ARG A 54 5.274 6.658 12.552 1.00 0.00 C ATOM 790 NH1 ARG A 54 5.254 7.967 12.841 1.00 0.00 N ATOM 791 NH2 ARG A 54 6.045 5.827 13.267 1.00 0.00 N ATOM 0 H ARG A 54 -0.084 5.424 7.113 1.00 0.00 H new ATOM 0 HA ARG A 54 1.228 5.041 8.858 1.00 0.00 H new ATOM 0 HB2 ARG A 54 2.424 7.045 7.577 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.018 7.948 9.023 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.206 5.259 9.530 1.00 0.00 H new ATOM 0 HG3 ARG A 54 4.280 6.394 8.737 1.00 0.00 H new ATOM 0 HD2 ARG A 54 4.104 7.991 10.535 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.698 7.195 11.214 1.00 0.00 H new ATOM 0 HE ARG A 54 4.564 5.181 11.356 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.668 8.600 12.297 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.824 8.329 13.605 1.00 0.00 H new ATOM 0 HH21 ARG A 54 6.062 4.831 13.047 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.615 6.191 14.031 1.00 0.00 H new