USER MOD reduce.3.24.130724 H: found=0, std=0, add=300, rem=0, adj=10 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 Set 1.1: A 40 SER OG : rot -140:sc= 0.897 USER MOD Set 1.2: A 44 HIS :FLIP no HE2:sc= 1.04 F(o=-3.2,f=3.2) USER MOD Set 1.3: A 47 CYS SG : rot 156:sc= 1.3 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 124:sc= -0.742 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.146 K(o=-0.15,f=-0.76) 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= -0.0942 K(o=-0.094,f=-0.67) USER MOD Single : A 46 ASN : amide:sc= -11.3! C(o=-11!,f=-18!) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ -144:sc= 0.605 (180deg=0.255) USER MOD ----------------------------------------------------------------- ATOM 253 N PRO A 18 -12.829 25.199 -6.417 1.00 0.00 N ATOM 254 CA PRO A 18 -12.008 25.647 -7.530 1.00 0.00 C ATOM 255 C PRO A 18 -10.881 24.653 -7.815 1.00 0.00 C ATOM 256 O PRO A 18 -10.659 24.274 -8.964 1.00 0.00 O ATOM 257 CB PRO A 18 -11.501 27.020 -7.117 1.00 0.00 C ATOM 258 CG PRO A 18 -11.672 27.090 -5.609 1.00 0.00 C ATOM 259 CD PRO A 18 -12.578 25.945 -5.187 1.00 0.00 C ATOM 0 HA PRO A 18 -12.564 25.708 -8.466 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -10.456 27.152 -7.398 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -12.066 27.810 -7.611 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -10.705 27.014 -5.112 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -12.106 28.047 -5.318 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -12.100 25.318 -4.434 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -13.506 26.314 -4.751 1.00 0.00 H new ATOM 264 N PHE A 19 -10.198 24.261 -6.750 1.00 0.00 N ATOM 265 CA PHE A 19 -9.099 23.318 -6.871 1.00 0.00 C ATOM 266 C PHE A 19 -8.624 22.849 -5.494 1.00 0.00 C ATOM 267 O PHE A 19 -8.505 21.649 -5.250 1.00 0.00 O ATOM 268 CB PHE A 19 -7.953 24.055 -7.569 1.00 0.00 C ATOM 269 CG PHE A 19 -7.157 23.186 -8.544 1.00 0.00 C ATOM 270 CD1 PHE A 19 -6.104 22.451 -8.096 1.00 0.00 C ATOM 271 CD2 PHE A 19 -7.502 23.149 -9.859 1.00 0.00 C ATOM 272 CE1 PHE A 19 -5.365 21.644 -9.002 1.00 0.00 C ATOM 273 CE2 PHE A 19 -6.763 22.342 -10.765 1.00 0.00 C ATOM 274 CZ PHE A 19 -5.710 21.607 -10.316 1.00 0.00 C ATOM 0 H PHE A 19 -10.384 24.579 -5.799 1.00 0.00 H new ATOM 0 HA PHE A 19 -9.421 22.441 -7.432 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -8.360 24.910 -8.109 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -7.274 24.450 -6.813 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -5.830 22.481 -7.052 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -8.338 23.733 -10.215 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -4.529 21.060 -8.647 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -7.037 22.312 -11.809 1.00 0.00 H new ATOM 0 HZ PHE A 19 -5.148 20.994 -11.004 1.00 0.00 H new ATOM 283 N ARG A 20 -8.365 23.820 -4.630 1.00 0.00 N ATOM 284 CA ARG A 20 -7.907 23.521 -3.285 1.00 0.00 C ATOM 285 C ARG A 20 -8.999 22.790 -2.501 1.00 0.00 C ATOM 286 O ARG A 20 -8.702 21.974 -1.630 1.00 0.00 O ATOM 287 CB ARG A 20 -7.521 24.800 -2.537 1.00 0.00 C ATOM 288 CG ARG A 20 -8.766 25.579 -2.106 1.00 0.00 C ATOM 289 CD ARG A 20 -9.410 26.288 -3.298 1.00 0.00 C ATOM 290 NE ARG A 20 -10.222 27.433 -2.828 1.00 0.00 N ATOM 291 CZ ARG A 20 -11.362 27.311 -2.135 1.00 0.00 C ATOM 292 NH1 ARG A 20 -11.832 26.094 -1.829 1.00 0.00 N ATOM 293 NH2 ARG A 20 -12.033 28.404 -1.750 1.00 0.00 N ATOM 0 H ARG A 20 -8.464 24.814 -4.836 1.00 0.00 H new ATOM 0 HA ARG A 20 -7.027 22.883 -3.369 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -6.924 24.547 -1.661 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -6.899 25.426 -3.177 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -9.486 24.898 -1.651 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -8.496 26.312 -1.346 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -8.638 26.636 -3.985 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -10.038 25.589 -3.851 1.00 0.00 H new ATOM 0 HE ARG A 20 -9.893 28.374 -3.045 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -11.322 25.261 -2.124 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -12.700 26.000 -1.301 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -11.676 29.330 -1.984 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -12.901 28.310 -1.222 1.00 0.00 H new ATOM 304 N ALA A 21 -10.239 23.110 -2.839 1.00 0.00 N ATOM 305 CA ALA A 21 -11.377 22.494 -2.179 1.00 0.00 C ATOM 306 C ALA A 21 -11.302 20.975 -2.351 1.00 0.00 C ATOM 307 O ALA A 21 -11.698 20.225 -1.461 1.00 0.00 O ATOM 308 CB ALA A 21 -12.674 23.081 -2.741 1.00 0.00 C ATOM 0 H ALA A 21 -10.481 23.788 -3.562 1.00 0.00 H new ATOM 0 HA ALA A 21 -11.360 22.706 -1.110 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -13.527 22.618 -2.245 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -12.692 24.157 -2.566 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -12.727 22.886 -3.812 1.00 0.00 H new ATOM 314 N TYR A 22 -10.789 20.568 -3.503 1.00 0.00 N ATOM 315 CA TYR A 22 -10.656 19.152 -3.804 1.00 0.00 C ATOM 316 C TYR A 22 -9.484 18.537 -3.037 1.00 0.00 C ATOM 317 O TYR A 22 -9.553 17.386 -2.610 1.00 0.00 O ATOM 318 CB TYR A 22 -10.370 19.066 -5.305 1.00 0.00 C ATOM 319 CG TYR A 22 -11.310 18.127 -6.064 1.00 0.00 C ATOM 320 CD1 TYR A 22 -12.539 18.583 -6.496 1.00 0.00 C ATOM 321 CD2 TYR A 22 -10.929 16.825 -6.317 1.00 0.00 C ATOM 322 CE1 TYR A 22 -13.424 17.699 -7.210 1.00 0.00 C ATOM 323 CE2 TYR A 22 -11.814 15.942 -7.031 1.00 0.00 C ATOM 324 CZ TYR A 22 -13.018 16.423 -7.443 1.00 0.00 C ATOM 325 OH TYR A 22 -13.854 15.588 -8.117 1.00 0.00 O ATOM 0 H TYR A 22 -10.461 21.193 -4.239 1.00 0.00 H new ATOM 0 HA TYR A 22 -11.559 18.612 -3.519 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -10.444 20.064 -5.736 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -9.343 18.731 -5.450 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -12.837 19.602 -6.299 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -9.967 16.468 -5.979 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -14.389 18.042 -7.553 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -11.528 14.921 -7.235 1.00 0.00 H new ATOM 0 HH TYR A 22 -13.432 14.709 -8.211 1.00 0.00 H new ATOM 334 N LEU A 23 -8.435 19.332 -2.887 1.00 0.00 N ATOM 335 CA LEU A 23 -7.249 18.879 -2.179 1.00 0.00 C ATOM 336 C LEU A 23 -7.645 18.405 -0.779 1.00 0.00 C ATOM 337 O LEU A 23 -7.229 17.333 -0.342 1.00 0.00 O ATOM 338 CB LEU A 23 -6.177 19.970 -2.178 1.00 0.00 C ATOM 339 CG LEU A 23 -5.340 20.087 -0.901 1.00 0.00 C ATOM 340 CD1 LEU A 23 -6.178 20.634 0.256 1.00 0.00 C ATOM 341 CD2 LEU A 23 -4.683 18.750 -0.552 1.00 0.00 C ATOM 0 H LEU A 23 -8.381 20.286 -3.243 1.00 0.00 H new ATOM 0 HA LEU A 23 -6.803 18.026 -2.690 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -5.503 19.790 -3.015 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -6.662 20.929 -2.360 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.538 20.802 -1.083 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -5.559 20.707 1.151 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -6.557 21.622 -0.005 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -7.015 19.963 0.448 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -4.094 18.861 0.359 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -5.454 17.995 -0.396 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -4.032 18.440 -1.369 1.00 0.00 H new ATOM 352 N GLU A 24 -8.446 19.226 -0.116 1.00 0.00 N ATOM 353 CA GLU A 24 -8.903 18.904 1.226 1.00 0.00 C ATOM 354 C GLU A 24 -9.531 17.510 1.251 1.00 0.00 C ATOM 355 O GLU A 24 -9.530 16.844 2.285 1.00 0.00 O ATOM 356 CB GLU A 24 -9.887 19.959 1.737 1.00 0.00 C ATOM 357 CG GLU A 24 -9.606 20.307 3.200 1.00 0.00 C ATOM 358 CD GLU A 24 -10.844 20.065 4.067 1.00 0.00 C ATOM 359 OE1 GLU A 24 -11.788 20.876 3.948 1.00 0.00 O ATOM 360 OE2 GLU A 24 -10.818 19.076 4.831 1.00 0.00 O ATOM 0 H GLU A 24 -8.790 20.113 -0.483 1.00 0.00 H new ATOM 0 HA GLU A 24 -8.041 18.905 1.894 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -9.813 20.858 1.125 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -10.907 19.589 1.637 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -8.776 19.704 3.568 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -9.301 21.351 3.278 1.00 0.00 H new ATOM 365 N SER A 25 -10.053 17.109 0.101 1.00 0.00 N ATOM 366 CA SER A 25 -10.683 15.805 -0.021 1.00 0.00 C ATOM 367 C SER A 25 -9.712 14.711 0.425 1.00 0.00 C ATOM 368 O SER A 25 -10.129 13.598 0.743 1.00 0.00 O ATOM 369 CB SER A 25 -11.148 15.550 -1.456 1.00 0.00 C ATOM 370 OG SER A 25 -11.826 16.677 -2.006 1.00 0.00 O ATOM 0 H SER A 25 -10.053 17.664 -0.755 1.00 0.00 H new ATOM 0 HA SER A 25 -11.561 15.788 0.625 1.00 0.00 H new ATOM 0 HB2 SER A 25 -10.287 15.306 -2.078 1.00 0.00 H new ATOM 0 HB3 SER A 25 -11.810 14.684 -1.474 1.00 0.00 H new ATOM 0 HG SER A 25 -11.381 16.955 -2.834 1.00 0.00 H new ATOM 375 N GLU A 26 -8.436 15.065 0.435 1.00 0.00 N ATOM 376 CA GLU A 26 -7.402 14.127 0.836 1.00 0.00 C ATOM 377 C GLU A 26 -7.665 13.623 2.257 1.00 0.00 C ATOM 378 O GLU A 26 -7.265 12.515 2.611 1.00 0.00 O ATOM 379 CB GLU A 26 -6.014 14.760 0.727 1.00 0.00 C ATOM 380 CG GLU A 26 -5.865 15.926 1.707 1.00 0.00 C ATOM 381 CD GLU A 26 -5.489 15.424 3.102 1.00 0.00 C ATOM 382 OE1 GLU A 26 -5.327 14.193 3.239 1.00 0.00 O ATOM 383 OE2 GLU A 26 -5.374 16.285 4.002 1.00 0.00 O ATOM 0 H GLU A 26 -8.094 15.989 0.172 1.00 0.00 H new ATOM 0 HA GLU A 26 -7.430 13.274 0.158 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -5.251 14.009 0.931 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -5.850 15.113 -0.291 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.101 16.614 1.346 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -6.799 16.485 1.757 1.00 0.00 H new ATOM 388 N VAL A 27 -8.336 14.461 3.033 1.00 0.00 N ATOM 389 CA VAL A 27 -8.657 14.116 4.407 1.00 0.00 C ATOM 390 C VAL A 27 -9.777 13.072 4.418 1.00 0.00 C ATOM 391 O VAL A 27 -9.820 12.212 5.296 1.00 0.00 O ATOM 392 CB VAL A 27 -9.010 15.378 5.195 1.00 0.00 C ATOM 393 CG1 VAL A 27 -9.168 15.068 6.685 1.00 0.00 C ATOM 394 CG2 VAL A 27 -7.966 16.474 4.972 1.00 0.00 C ATOM 0 H VAL A 27 -8.666 15.379 2.736 1.00 0.00 H new ATOM 0 HA VAL A 27 -7.793 13.672 4.901 1.00 0.00 H new ATOM 0 HB VAL A 27 -9.967 15.746 4.825 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -9.419 15.983 7.222 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -9.964 14.337 6.822 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -8.233 14.664 7.074 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -8.241 17.360 5.544 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -6.989 16.119 5.301 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -7.923 16.725 3.912 1.00 0.00 H new ATOM 404 N ALA A 28 -10.653 13.181 3.430 1.00 0.00 N ATOM 405 CA ALA A 28 -11.769 12.257 3.315 1.00 0.00 C ATOM 406 C ALA A 28 -11.244 10.878 2.914 1.00 0.00 C ATOM 407 O ALA A 28 -11.681 9.862 3.455 1.00 0.00 O ATOM 408 CB ALA A 28 -12.786 12.808 2.312 1.00 0.00 C ATOM 0 H ALA A 28 -10.613 13.894 2.702 1.00 0.00 H new ATOM 0 HA ALA A 28 -12.279 12.150 4.272 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -13.623 12.116 2.225 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -13.150 13.776 2.657 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -12.310 12.926 1.339 1.00 0.00 H new ATOM 414 N ILE A 29 -10.313 10.884 1.971 1.00 0.00 N ATOM 415 CA ILE A 29 -9.724 9.646 1.493 1.00 0.00 C ATOM 416 C ILE A 29 -8.873 9.028 2.604 1.00 0.00 C ATOM 417 O ILE A 29 -8.858 7.809 2.775 1.00 0.00 O ATOM 418 CB ILE A 29 -8.956 9.886 0.191 1.00 0.00 C ATOM 419 CG1 ILE A 29 -7.538 10.383 0.476 1.00 0.00 C ATOM 420 CG2 ILE A 29 -9.723 10.836 -0.731 1.00 0.00 C ATOM 421 CD1 ILE A 29 -6.645 10.230 -0.757 1.00 0.00 C ATOM 0 H ILE A 29 -9.952 11.728 1.525 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.503 8.923 1.249 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.864 8.935 -0.333 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -7.570 11.430 0.779 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -7.113 9.823 1.309 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.155 10.990 -1.649 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -10.694 10.403 -0.973 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -9.867 11.793 -0.229 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -5.642 10.591 -0.527 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -6.596 9.179 -1.043 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -7.060 10.811 -1.581 1.00 0.00 H new ATOM 432 N SER A 30 -8.186 9.896 3.331 1.00 0.00 N ATOM 433 CA SER A 30 -7.335 9.450 4.422 1.00 0.00 C ATOM 434 C SER A 30 -8.153 8.632 5.424 1.00 0.00 C ATOM 435 O SER A 30 -7.753 7.534 5.807 1.00 0.00 O ATOM 436 CB SER A 30 -6.672 10.637 5.123 1.00 0.00 C ATOM 437 OG SER A 30 -5.353 10.327 5.566 1.00 0.00 O ATOM 0 H SER A 30 -8.201 10.906 3.187 1.00 0.00 H new ATOM 0 HA SER A 30 -6.548 8.821 4.006 1.00 0.00 H new ATOM 0 HB2 SER A 30 -6.635 11.486 4.441 1.00 0.00 H new ATOM 0 HB3 SER A 30 -7.279 10.940 5.976 1.00 0.00 H new ATOM 0 HG SER A 30 -4.963 11.111 6.007 1.00 0.00 H new ATOM 442 N GLU A 31 -9.284 9.198 5.819 1.00 0.00 N ATOM 443 CA GLU A 31 -10.161 8.535 6.768 1.00 0.00 C ATOM 444 C GLU A 31 -10.758 7.272 6.146 1.00 0.00 C ATOM 445 O GLU A 31 -10.961 6.272 6.834 1.00 0.00 O ATOM 446 CB GLU A 31 -11.262 9.482 7.251 1.00 0.00 C ATOM 447 CG GLU A 31 -12.122 9.965 6.081 1.00 0.00 C ATOM 448 CD GLU A 31 -13.411 10.619 6.582 1.00 0.00 C ATOM 449 OE1 GLU A 31 -14.044 10.015 7.476 1.00 0.00 O ATOM 450 OE2 GLU A 31 -13.735 11.708 6.060 1.00 0.00 O ATOM 0 H GLU A 31 -9.613 10.109 5.499 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.571 8.244 7.637 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.890 8.973 7.982 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -10.815 10.338 7.756 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.558 10.678 5.480 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -12.365 9.124 5.432 1.00 0.00 H new ATOM 455 N GLU A 32 -11.023 7.357 4.850 1.00 0.00 N ATOM 456 CA GLU A 32 -11.593 6.233 4.127 1.00 0.00 C ATOM 457 C GLU A 32 -10.549 5.127 3.957 1.00 0.00 C ATOM 458 O GLU A 32 -10.825 3.961 4.232 1.00 0.00 O ATOM 459 CB GLU A 32 -12.148 6.677 2.772 1.00 0.00 C ATOM 460 CG GLU A 32 -13.677 6.645 2.769 1.00 0.00 C ATOM 461 CD GLU A 32 -14.222 6.647 1.338 1.00 0.00 C ATOM 462 OE1 GLU A 32 -13.739 7.488 0.549 1.00 0.00 O ATOM 463 OE2 GLU A 32 -15.109 5.810 1.067 1.00 0.00 O ATOM 0 H GLU A 32 -10.853 8.187 4.282 1.00 0.00 H new ATOM 0 HA GLU A 32 -12.424 5.835 4.710 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.801 7.685 2.546 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.765 6.025 1.987 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -14.027 5.756 3.294 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -14.064 7.508 3.311 1.00 0.00 H new ATOM 468 N LEU A 33 -9.372 5.534 3.504 1.00 0.00 N ATOM 469 CA LEU A 33 -8.285 4.591 3.294 1.00 0.00 C ATOM 470 C LEU A 33 -8.197 3.646 4.493 1.00 0.00 C ATOM 471 O LEU A 33 -7.876 2.469 4.337 1.00 0.00 O ATOM 472 CB LEU A 33 -6.982 5.335 2.999 1.00 0.00 C ATOM 473 CG LEU A 33 -5.860 5.153 4.024 1.00 0.00 C ATOM 474 CD1 LEU A 33 -4.790 4.191 3.501 1.00 0.00 C ATOM 475 CD2 LEU A 33 -5.266 6.502 4.433 1.00 0.00 C ATOM 0 H LEU A 33 -9.147 6.503 3.277 1.00 0.00 H new ATOM 0 HA LEU A 33 -8.479 3.974 2.416 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -6.614 5.011 2.025 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -7.204 6.399 2.918 1.00 0.00 H new ATOM 0 HG LEU A 33 -6.287 4.704 4.921 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -4.005 4.079 4.248 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -5.241 3.219 3.301 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -4.362 4.589 2.581 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -4.471 6.344 5.162 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -4.858 7.001 3.554 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -6.045 7.124 4.875 1.00 0.00 H new ATOM 486 N VAL A 34 -8.488 4.196 5.663 1.00 0.00 N ATOM 487 CA VAL A 34 -8.446 3.416 6.888 1.00 0.00 C ATOM 488 C VAL A 34 -9.377 2.210 6.753 1.00 0.00 C ATOM 489 O VAL A 34 -9.006 1.092 7.106 1.00 0.00 O ATOM 490 CB VAL A 34 -8.788 4.304 8.086 1.00 0.00 C ATOM 491 CG1 VAL A 34 -8.345 3.651 9.397 1.00 0.00 C ATOM 492 CG2 VAL A 34 -8.171 5.695 7.931 1.00 0.00 C ATOM 0 H VAL A 34 -8.754 5.173 5.788 1.00 0.00 H new ATOM 0 HA VAL A 34 -7.441 3.032 7.061 1.00 0.00 H new ATOM 0 HB VAL A 34 -9.871 4.420 8.119 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -8.600 4.303 10.233 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -8.852 2.693 9.516 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -7.267 3.491 9.378 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -8.429 6.306 8.796 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -7.087 5.606 7.860 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -8.556 6.165 7.026 1.00 0.00 H new ATOM 502 N GLN A 35 -10.569 2.477 6.239 1.00 0.00 N ATOM 503 CA GLN A 35 -11.556 1.428 6.052 1.00 0.00 C ATOM 504 C GLN A 35 -11.109 0.469 4.947 1.00 0.00 C ATOM 505 O GLN A 35 -11.493 -0.700 4.941 1.00 0.00 O ATOM 506 CB GLN A 35 -12.932 2.019 5.743 1.00 0.00 C ATOM 507 CG GLN A 35 -13.181 2.069 4.234 1.00 0.00 C ATOM 508 CD GLN A 35 -14.537 2.706 3.922 1.00 0.00 C ATOM 509 OE1 GLN A 35 -14.885 3.764 4.420 1.00 0.00 O ATOM 510 NE2 GLN A 35 -15.281 2.002 3.072 1.00 0.00 N ATOM 0 H GLN A 35 -10.873 3.406 5.946 1.00 0.00 H new ATOM 0 HA GLN A 35 -11.640 0.865 6.982 1.00 0.00 H new ATOM 0 HB2 GLN A 35 -13.705 1.419 6.223 1.00 0.00 H new ATOM 0 HB3 GLN A 35 -13.002 3.023 6.160 1.00 0.00 H new ATOM 0 HG2 GLN A 35 -12.388 2.639 3.750 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -13.146 1.060 3.823 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -14.928 1.123 2.692 1.00 0.00 H new ATOM 0 HE22 GLN A 35 -16.204 2.341 2.800 1.00 0.00 H new ATOM 517 N LYS A 36 -10.305 1.000 4.038 1.00 0.00 N ATOM 518 CA LYS A 36 -9.802 0.206 2.929 1.00 0.00 C ATOM 519 C LYS A 36 -8.993 -0.971 3.477 1.00 0.00 C ATOM 520 O LYS A 36 -8.937 -2.033 2.857 1.00 0.00 O ATOM 521 CB LYS A 36 -9.022 1.085 1.950 1.00 0.00 C ATOM 522 CG LYS A 36 -9.869 2.271 1.482 1.00 0.00 C ATOM 523 CD LYS A 36 -11.095 1.793 0.700 1.00 0.00 C ATOM 524 CE LYS A 36 -10.678 1.057 -0.575 1.00 0.00 C ATOM 525 NZ LYS A 36 -11.203 1.754 -1.770 1.00 0.00 N ATOM 0 H LYS A 36 -9.989 1.970 4.046 1.00 0.00 H new ATOM 0 HA LYS A 36 -10.628 -0.213 2.355 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -8.113 1.449 2.428 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -8.714 0.492 1.089 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -10.188 2.857 2.344 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -9.266 2.928 0.855 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -11.695 1.133 1.326 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -11.723 2.646 0.443 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -9.591 0.998 -0.629 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -11.052 0.033 -0.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -10.911 1.242 -2.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -12.241 1.788 -1.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -10.826 2.723 -1.800 1.00 0.00 H new ATOM 535 N TYR A 37 -8.386 -0.745 4.633 1.00 0.00 N ATOM 536 CA TYR A 37 -7.584 -1.774 5.271 1.00 0.00 C ATOM 537 C TYR A 37 -8.273 -3.137 5.190 1.00 0.00 C ATOM 538 O TYR A 37 -7.613 -4.174 5.224 1.00 0.00 O ATOM 539 CB TYR A 37 -7.462 -1.365 6.740 1.00 0.00 C ATOM 540 CG TYR A 37 -6.863 -2.446 7.640 1.00 0.00 C ATOM 541 CD1 TYR A 37 -5.936 -3.333 7.131 1.00 0.00 C ATOM 542 CD2 TYR A 37 -7.249 -2.535 8.963 1.00 0.00 C ATOM 543 CE1 TYR A 37 -5.373 -4.351 7.978 1.00 0.00 C ATOM 544 CE2 TYR A 37 -6.685 -3.553 9.810 1.00 0.00 C ATOM 545 CZ TYR A 37 -5.774 -4.411 9.276 1.00 0.00 C ATOM 546 OH TYR A 37 -5.242 -5.373 10.077 1.00 0.00 O ATOM 0 H TYR A 37 -8.434 0.136 5.144 1.00 0.00 H new ATOM 0 HA TYR A 37 -6.615 -1.863 4.780 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -6.845 -0.469 6.807 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -8.450 -1.101 7.116 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -5.633 -3.263 6.097 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -7.974 -1.841 9.362 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -4.648 -5.052 7.591 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -6.978 -3.634 10.846 1.00 0.00 H new ATOM 0 HH TYR A 37 -5.620 -5.295 10.978 1.00 0.00 H new ATOM 555 N SER A 38 -9.592 -3.091 5.082 1.00 0.00 N ATOM 556 CA SER A 38 -10.380 -4.310 4.996 1.00 0.00 C ATOM 557 C SER A 38 -9.965 -5.114 3.761 1.00 0.00 C ATOM 558 O SER A 38 -9.922 -6.342 3.803 1.00 0.00 O ATOM 559 CB SER A 38 -11.876 -3.997 4.947 1.00 0.00 C ATOM 560 OG SER A 38 -12.501 -4.175 6.216 1.00 0.00 O ATOM 0 H SER A 38 -10.136 -2.229 5.052 1.00 0.00 H new ATOM 0 HA SER A 38 -10.190 -4.904 5.890 1.00 0.00 H new ATOM 0 HB2 SER A 38 -12.021 -2.970 4.613 1.00 0.00 H new ATOM 0 HB3 SER A 38 -12.357 -4.642 4.212 1.00 0.00 H new ATOM 0 HG SER A 38 -13.455 -3.964 6.143 1.00 0.00 H new ATOM 565 N ASN A 39 -9.671 -4.388 2.693 1.00 0.00 N ATOM 566 CA ASN A 39 -9.261 -5.017 1.449 1.00 0.00 C ATOM 567 C ASN A 39 -8.061 -5.928 1.715 1.00 0.00 C ATOM 568 O ASN A 39 -7.886 -6.942 1.042 1.00 0.00 O ATOM 569 CB ASN A 39 -8.842 -3.972 0.414 1.00 0.00 C ATOM 570 CG ASN A 39 -9.886 -3.852 -0.698 1.00 0.00 C ATOM 571 OD1 ASN A 39 -10.425 -4.833 -1.186 1.00 0.00 O ATOM 572 ND2 ASN A 39 -10.139 -2.601 -1.071 1.00 0.00 N ATOM 0 H ASN A 39 -9.709 -3.369 2.663 1.00 0.00 H new ATOM 0 HA ASN A 39 -10.108 -5.585 1.064 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -8.711 -3.005 0.900 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -7.878 -4.246 -0.015 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -10.820 -2.416 -1.807 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -9.652 -1.826 -0.621 1.00 0.00 H new ATOM 578 N SER A 40 -7.265 -5.532 2.698 1.00 0.00 N ATOM 579 CA SER A 40 -6.085 -6.299 3.060 1.00 0.00 C ATOM 580 C SER A 40 -6.486 -7.726 3.440 1.00 0.00 C ATOM 581 O SER A 40 -5.631 -8.601 3.568 1.00 0.00 O ATOM 582 CB SER A 40 -5.330 -5.636 4.213 1.00 0.00 C ATOM 583 OG SER A 40 -5.501 -6.341 5.440 1.00 0.00 O ATOM 0 H SER A 40 -7.414 -4.690 3.255 1.00 0.00 H new ATOM 0 HA SER A 40 -5.420 -6.332 2.197 1.00 0.00 H new ATOM 0 HB2 SER A 40 -4.269 -5.585 3.969 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.679 -4.610 4.333 1.00 0.00 H new ATOM 0 HG SER A 40 -5.606 -5.700 6.174 1.00 0.00 H new ATOM 588 N ALA A 41 -7.787 -7.917 3.609 1.00 0.00 N ATOM 589 CA ALA A 41 -8.310 -9.223 3.971 1.00 0.00 C ATOM 590 C ALA A 41 -7.862 -10.253 2.933 1.00 0.00 C ATOM 591 O ALA A 41 -7.619 -11.411 3.268 1.00 0.00 O ATOM 592 CB ALA A 41 -9.833 -9.144 4.096 1.00 0.00 C ATOM 0 H ALA A 41 -8.493 -7.189 3.502 1.00 0.00 H new ATOM 0 HA ALA A 41 -7.919 -9.540 4.938 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -10.227 -10.123 4.368 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -10.098 -8.420 4.866 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -10.261 -8.832 3.143 1.00 0.00 H new ATOM 598 N LEU A 42 -7.767 -9.795 1.693 1.00 0.00 N ATOM 599 CA LEU A 42 -7.353 -10.663 0.604 1.00 0.00 C ATOM 600 C LEU A 42 -6.147 -11.492 1.050 1.00 0.00 C ATOM 601 O LEU A 42 -6.290 -12.662 1.403 1.00 0.00 O ATOM 602 CB LEU A 42 -7.103 -9.846 -0.665 1.00 0.00 C ATOM 603 CG LEU A 42 -8.214 -8.876 -1.069 1.00 0.00 C ATOM 604 CD1 LEU A 42 -7.644 -7.496 -1.404 1.00 0.00 C ATOM 605 CD2 LEU A 42 -9.048 -9.445 -2.219 1.00 0.00 C ATOM 0 H LEU A 42 -7.970 -8.834 1.419 1.00 0.00 H new ATOM 0 HA LEU A 42 -8.147 -11.366 0.352 1.00 0.00 H new ATOM 0 HB2 LEU A 42 -6.183 -9.277 -0.532 1.00 0.00 H new ATOM 0 HB3 LEU A 42 -6.934 -10.537 -1.491 1.00 0.00 H new ATOM 0 HG LEU A 42 -8.882 -8.750 -0.217 1.00 0.00 H new ATOM 0 HD11 LEU A 42 -8.456 -6.826 -1.688 1.00 0.00 H new ATOM 0 HD12 LEU A 42 -7.130 -7.093 -0.532 1.00 0.00 H new ATOM 0 HD13 LEU A 42 -6.940 -7.584 -2.232 1.00 0.00 H new ATOM 0 HD21 LEU A 42 -9.831 -8.735 -2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 42 -8.406 -9.620 -3.082 1.00 0.00 H new ATOM 0 HD23 LEU A 42 -9.502 -10.386 -1.908 1.00 0.00 H new ATOM 616 N GLY A 43 -4.986 -10.855 1.019 1.00 0.00 N ATOM 617 CA GLY A 43 -3.756 -11.519 1.415 1.00 0.00 C ATOM 618 C GLY A 43 -2.800 -10.541 2.100 1.00 0.00 C ATOM 619 O GLY A 43 -1.612 -10.826 2.243 1.00 0.00 O ATOM 0 H GLY A 43 -4.871 -9.885 0.725 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -3.985 -12.343 2.091 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -3.273 -11.951 0.538 1.00 0.00 H new ATOM 623 N HIS A 44 -3.354 -9.407 2.505 1.00 0.00 N ATOM 624 CA HIS A 44 -2.566 -8.385 3.171 1.00 0.00 C ATOM 625 C HIS A 44 -1.967 -7.438 2.129 1.00 0.00 C ATOM 626 O HIS A 44 -0.772 -7.149 2.162 1.00 0.00 O ATOM 627 CB HIS A 44 -1.506 -9.019 4.074 1.00 0.00 C ATOM 628 CG HIS A 44 -1.264 -8.265 5.360 1.00 0.00 C ATOM 629 ND1 HIS A 44 -2.140 -7.708 6.246 1.00 0.00 N flip ATOM 630 CD2 HIS A 44 0.004 -8.015 5.856 1.00 0.00 C flip ATOM 631 CE1 HIS A 44 -1.445 -7.151 7.229 1.00 0.00 C flip ATOM 632 NE2 HIS A 44 -0.116 -7.338 6.989 1.00 0.00 N flip ATOM 0 H HIS A 44 -4.340 -9.174 2.384 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.208 -7.793 3.823 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -1.810 -10.038 4.314 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -0.568 -9.088 3.523 1.00 0.00 H new ATOM 0 HD1 HIS A 44 -3.157 -7.718 6.166 1.00 0.00 H new ATOM 0 HD2 HIS A 44 0.933 -8.320 5.398 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -1.863 -6.634 8.080 1.00 0.00 H new ATOM 640 N VAL A 45 -2.826 -6.981 1.229 1.00 0.00 N ATOM 641 CA VAL A 45 -2.396 -6.073 0.180 1.00 0.00 C ATOM 642 C VAL A 45 -2.517 -4.630 0.678 1.00 0.00 C ATOM 643 O VAL A 45 -1.557 -3.866 0.615 1.00 0.00 O ATOM 644 CB VAL A 45 -3.198 -6.333 -1.098 1.00 0.00 C ATOM 645 CG1 VAL A 45 -3.092 -7.800 -1.520 1.00 0.00 C ATOM 646 CG2 VAL A 45 -4.658 -5.916 -0.924 1.00 0.00 C ATOM 0 H VAL A 45 -3.817 -7.223 1.205 1.00 0.00 H new ATOM 0 HA VAL A 45 -1.349 -6.245 -0.068 1.00 0.00 H new ATOM 0 HB VAL A 45 -2.770 -5.723 -1.893 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -3.670 -7.959 -2.430 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -2.047 -8.051 -1.705 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -3.483 -8.436 -0.726 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.205 -6.111 -1.847 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -5.105 -6.486 -0.110 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -4.707 -4.852 -0.692 1.00 0.00 H new ATOM 656 N ASN A 46 -3.708 -4.304 1.161 1.00 0.00 N ATOM 657 CA ASN A 46 -3.967 -2.968 1.669 1.00 0.00 C ATOM 658 C ASN A 46 -2.794 -2.523 2.544 1.00 0.00 C ATOM 659 O ASN A 46 -2.530 -1.328 2.675 1.00 0.00 O ATOM 660 CB ASN A 46 -5.233 -2.941 2.527 1.00 0.00 C ATOM 661 CG ASN A 46 -6.192 -1.846 2.056 1.00 0.00 C ATOM 662 OD1 ASN A 46 -6.501 -0.906 2.769 1.00 0.00 O ATOM 663 ND2 ASN A 46 -6.646 -2.020 0.818 1.00 0.00 N ATOM 0 H ASN A 46 -4.503 -4.942 1.211 1.00 0.00 H new ATOM 0 HA ASN A 46 -4.095 -2.302 0.816 1.00 0.00 H new ATOM 0 HB2 ASN A 46 -5.730 -3.910 2.479 1.00 0.00 H new ATOM 0 HB3 ASN A 46 -4.966 -2.771 3.570 1.00 0.00 H new ATOM 0 HD21 ASN A 46 -7.293 -1.344 0.412 1.00 0.00 H new ATOM 0 HD22 ASN A 46 -6.347 -2.830 0.274 1.00 0.00 H new ATOM 669 N CYS A 47 -2.121 -3.506 3.121 1.00 0.00 N ATOM 670 CA CYS A 47 -0.982 -3.232 3.981 1.00 0.00 C ATOM 671 C CYS A 47 -0.048 -2.267 3.246 1.00 0.00 C ATOM 672 O CYS A 47 0.639 -1.464 3.875 1.00 0.00 O ATOM 673 CB CYS A 47 -0.263 -4.517 4.396 1.00 0.00 C ATOM 674 SG CYS A 47 0.309 -4.382 6.129 1.00 0.00 S ATOM 0 H CYS A 47 -2.342 -4.495 3.010 1.00 0.00 H new ATOM 0 HA CYS A 47 -1.325 -2.771 4.907 1.00 0.00 H new ATOM 0 HB2 CYS A 47 -0.934 -5.369 4.291 1.00 0.00 H new ATOM 0 HB3 CYS A 47 0.586 -4.697 3.737 1.00 0.00 H new ATOM 0 HG CYS A 47 0.445 -5.572 6.635 1.00 0.00 H new ATOM 679 N THR A 48 -0.054 -2.378 1.927 1.00 0.00 N ATOM 680 CA THR A 48 0.783 -1.525 1.099 1.00 0.00 C ATOM 681 C THR A 48 0.309 -0.073 1.179 1.00 0.00 C ATOM 682 O THR A 48 1.103 0.828 1.448 1.00 0.00 O ATOM 683 CB THR A 48 0.775 -2.090 -0.323 1.00 0.00 C ATOM 684 OG1 THR A 48 1.836 -1.399 -0.977 1.00 0.00 O ATOM 685 CG2 THR A 48 -0.474 -1.683 -1.107 1.00 0.00 C ATOM 0 H THR A 48 -0.625 -3.046 1.410 1.00 0.00 H new ATOM 0 HA THR A 48 1.813 -1.517 1.455 1.00 0.00 H new ATOM 0 HB THR A 48 0.840 -3.177 -0.282 1.00 0.00 H new ATOM 0 HG1 THR A 48 1.903 -1.706 -1.905 1.00 0.00 H new ATOM 0 HG21 THR A 48 -0.430 -2.110 -2.109 1.00 0.00 H new ATOM 0 HG22 THR A 48 -1.362 -2.052 -0.594 1.00 0.00 H new ATOM 0 HG23 THR A 48 -0.521 -0.596 -1.177 1.00 0.00 H new ATOM 693 N ILE A 49 -0.981 0.109 0.942 1.00 0.00 N ATOM 694 CA ILE A 49 -1.570 1.436 0.985 1.00 0.00 C ATOM 695 C ILE A 49 -1.730 1.872 2.441 1.00 0.00 C ATOM 696 O ILE A 49 -1.734 3.066 2.740 1.00 0.00 O ATOM 697 CB ILE A 49 -2.875 1.469 0.186 1.00 0.00 C ATOM 698 CG1 ILE A 49 -3.910 0.517 0.787 1.00 0.00 C ATOM 699 CG2 ILE A 49 -2.619 1.176 -1.294 1.00 0.00 C ATOM 700 CD1 ILE A 49 -4.395 1.023 2.148 1.00 0.00 C ATOM 0 H ILE A 49 -1.635 -0.641 0.719 1.00 0.00 H new ATOM 0 HA ILE A 49 -0.911 2.160 0.506 1.00 0.00 H new ATOM 0 HB ILE A 49 -3.288 2.476 0.249 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -4.757 0.420 0.108 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.475 -0.476 0.898 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -3.562 1.205 -1.839 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.941 1.926 -1.701 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.171 0.188 -1.397 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -5.130 0.328 2.554 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -3.549 1.096 2.831 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -4.852 2.006 2.029 1.00 0.00 H new ATOM 711 N LYS A 50 -1.859 0.881 3.312 1.00 0.00 N ATOM 712 CA LYS A 50 -2.019 1.148 4.731 1.00 0.00 C ATOM 713 C LYS A 50 -0.992 2.195 5.168 1.00 0.00 C ATOM 714 O LYS A 50 -1.246 2.972 6.087 1.00 0.00 O ATOM 715 CB LYS A 50 -1.950 -0.154 5.532 1.00 0.00 C ATOM 716 CG LYS A 50 -3.283 -0.903 5.477 1.00 0.00 C ATOM 717 CD LYS A 50 -3.973 -0.895 6.843 1.00 0.00 C ATOM 718 CE LYS A 50 -3.251 -1.817 7.827 1.00 0.00 C ATOM 719 NZ LYS A 50 -3.789 -1.638 9.194 1.00 0.00 N ATOM 0 H LYS A 50 -1.856 -0.108 3.062 1.00 0.00 H new ATOM 0 HA LYS A 50 -3.005 1.566 4.931 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.156 -0.787 5.136 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -1.695 0.066 6.569 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.933 -0.441 4.734 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.114 -1.931 5.157 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -3.993 0.121 7.238 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -5.009 -1.215 6.733 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.370 -2.855 7.516 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -2.182 -1.602 7.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.018 -1.730 9.885 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -4.218 -0.694 9.277 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -4.510 -2.364 9.381 1.00 0.00 H new ATOM 729 N GLU A 51 0.146 2.180 4.490 1.00 0.00 N ATOM 730 CA GLU A 51 1.211 3.118 4.796 1.00 0.00 C ATOM 731 C GLU A 51 0.675 4.551 4.794 1.00 0.00 C ATOM 732 O GLU A 51 1.181 5.408 5.517 1.00 0.00 O ATOM 733 CB GLU A 51 2.375 2.967 3.815 1.00 0.00 C ATOM 734 CG GLU A 51 2.387 4.111 2.799 1.00 0.00 C ATOM 735 CD GLU A 51 3.504 3.919 1.770 1.00 0.00 C ATOM 736 OE1 GLU A 51 3.323 3.047 0.893 1.00 0.00 O ATOM 737 OE2 GLU A 51 4.513 4.648 1.885 1.00 0.00 O ATOM 0 H GLU A 51 0.353 1.533 3.730 1.00 0.00 H new ATOM 0 HA GLU A 51 1.589 2.894 5.794 1.00 0.00 H new ATOM 0 HB2 GLU A 51 3.317 2.952 4.363 1.00 0.00 H new ATOM 0 HB3 GLU A 51 2.294 2.013 3.293 1.00 0.00 H new ATOM 0 HG2 GLU A 51 1.424 4.161 2.291 1.00 0.00 H new ATOM 0 HG3 GLU A 51 2.524 5.060 3.317 1.00 0.00 H new ATOM 742 N LEU A 52 -0.342 4.767 3.973 1.00 0.00 N ATOM 743 CA LEU A 52 -0.952 6.081 3.866 1.00 0.00 C ATOM 744 C LEU A 52 -1.456 6.518 5.244 1.00 0.00 C ATOM 745 O LEU A 52 -1.165 7.626 5.692 1.00 0.00 O ATOM 746 CB LEU A 52 -2.037 6.083 2.786 1.00 0.00 C ATOM 747 CG LEU A 52 -2.313 7.430 2.117 1.00 0.00 C ATOM 748 CD1 LEU A 52 -1.277 7.726 1.031 1.00 0.00 C ATOM 749 CD2 LEU A 52 -3.743 7.489 1.574 1.00 0.00 C ATOM 0 H LEU A 52 -0.759 4.053 3.375 1.00 0.00 H new ATOM 0 HA LEU A 52 -0.215 6.818 3.546 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -1.755 5.367 2.014 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -2.965 5.723 3.230 1.00 0.00 H new ATOM 0 HG LEU A 52 -2.221 8.211 2.872 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -1.497 8.690 0.571 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -0.282 7.754 1.475 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.313 6.945 0.271 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.914 8.457 1.103 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.886 6.697 0.838 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -4.449 7.354 2.393 1.00 0.00 H new ATOM 760 N ARG A 53 -2.201 5.624 5.876 1.00 0.00 N ATOM 761 CA ARG A 53 -2.748 5.904 7.194 1.00 0.00 C ATOM 762 C ARG A 53 -1.633 6.327 8.151 1.00 0.00 C ATOM 763 O ARG A 53 -1.780 7.299 8.890 1.00 0.00 O ATOM 764 CB ARG A 53 -3.464 4.677 7.764 1.00 0.00 C ATOM 765 CG ARG A 53 -4.583 4.212 6.831 1.00 0.00 C ATOM 766 CD ARG A 53 -4.421 2.733 6.475 1.00 0.00 C ATOM 767 NE ARG A 53 -5.469 1.934 7.148 1.00 0.00 N ATOM 768 CZ ARG A 53 -5.439 1.594 8.445 1.00 0.00 C ATOM 769 NH1 ARG A 53 -4.413 1.983 9.215 1.00 0.00 N ATOM 770 NH2 ARG A 53 -6.433 0.866 8.971 1.00 0.00 N ATOM 0 H ARG A 53 -2.439 4.706 5.501 1.00 0.00 H new ATOM 0 HA ARG A 53 -3.469 6.715 7.090 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -2.748 3.869 7.909 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -3.878 4.916 8.744 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -5.550 4.371 7.309 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -4.575 4.812 5.921 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -4.488 2.601 5.395 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -3.434 2.383 6.778 1.00 0.00 H new ATOM 0 HE ARG A 53 -6.264 1.622 6.590 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -3.656 2.537 8.814 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -4.389 1.725 10.202 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -7.214 0.570 8.385 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -6.409 0.608 9.958 1.00 0.00 H new ATOM 781 N ARG A 54 -0.543 5.575 8.109 1.00 0.00 N ATOM 782 CA ARG A 54 0.596 5.860 8.964 1.00 0.00 C ATOM 783 C ARG A 54 0.123 6.298 10.351 1.00 0.00 C ATOM 784 O ARG A 54 0.834 6.121 11.339 1.00 0.00 O ATOM 785 CB ARG A 54 1.476 6.958 8.363 1.00 0.00 C ATOM 786 CG ARG A 54 2.954 6.564 8.408 1.00 0.00 C ATOM 787 CD ARG A 54 3.655 6.914 7.093 1.00 0.00 C ATOM 788 NE ARG A 54 4.298 5.707 6.526 1.00 0.00 N ATOM 789 CZ ARG A 54 5.303 5.739 5.641 1.00 0.00 C ATOM 790 NH1 ARG A 54 5.787 6.914 5.217 1.00 0.00 N ATOM 791 NH2 ARG A 54 5.825 4.593 5.179 1.00 0.00 N ATOM 0 H ARG A 54 -0.425 4.768 7.496 1.00 0.00 H new ATOM 0 HA ARG A 54 1.183 4.945 9.048 1.00 0.00 H new ATOM 0 HB2 ARG A 54 1.177 7.144 7.331 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.327 7.888 8.911 1.00 0.00 H new ATOM 0 HG2 ARG A 54 3.446 7.077 9.234 1.00 0.00 H new ATOM 0 HG3 ARG A 54 3.043 5.495 8.599 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.934 7.319 6.383 1.00 0.00 H new ATOM 0 HD3 ARG A 54 4.403 7.688 7.265 1.00 0.00 H new ATOM 0 HE ARG A 54 3.955 4.795 6.828 1.00 0.00 H new ATOM 0 HH11 ARG A 54 5.390 7.786 5.568 1.00 0.00 H new ATOM 0 HH12 ARG A 54 6.552 6.937 4.543 1.00 0.00 H new ATOM 0 HH21 ARG A 54 5.457 3.698 5.502 1.00 0.00 H new ATOM 0 HH22 ARG A 54 6.590 4.616 4.505 1.00 0.00 H new