USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 701 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 23 LYS NZ :NH3+ 139:sc= -0.62 (180deg=-1.89!) USER MOD Set 1.2: A 63 MET CE :methyl 179:sc= -0.711 (180deg=-0.751) USER MOD Set 2.1: A 31 HIS :FLIP no HD1:sc= -0.788 X(o=-21,f=-21) USER MOD Set 2.2: A 42 GLN : amide:sc= -3.46 K(o=-21,f=-23!) USER MOD Set 2.3: A 45 MET CE :methyl -148:sc= -2.48 (180deg=0) USER MOD Set 2.4: A 49 HIS :FLIP no HE2:sc= -13.8! C(o=-25!,f=-21!) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl -175:sc= -0.326 (180deg=-0.405) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -1.72 X(o=-1.7,f=-1.8) USER MOD Single : A 35 CYS SG : rot -62:sc= 1.95 USER MOD Single : A 36 GLN : amide:sc= -0.399 X(o=-0.4,f=-0.061) USER MOD Single : A 38 ASN : amide:sc=-0.000712 K(o=-0.00071,f=-0.57) USER MOD Single : A 39 LYS NZ :NH3+ 152:sc= 0.0924 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 SER OG : rot 140:sc= 0 USER MOD Single : A 56 GLN : amide:sc= -0.0313 X(o=-0.031,f=-0.029) USER MOD Single : A 58 HIS : no HD1:sc= -0.0075 X(o=-0.0075,f=-0.0075) USER MOD Single : A 61 LYS NZ :NH3+ 168:sc= -0.0164 (180deg=-0.134) USER MOD Single : A 62 LYS NZ :NH3+ -173:sc=-0.00686 (180deg=-0.0659) USER MOD Single : A 64 LYS NZ :NH3+ 148:sc= 0 (180deg=-0.973) USER MOD Single : A 65 LYS NZ :NH3+ 144:sc= -1.08 (180deg=-1.61!) USER MOD Single : A 77 ASN : amide:sc= 0.996 K(o=1,f=-0.052) USER MOD Single : A 79 SER OG : rot 108:sc= 1.2 USER MOD Single : A 83 THR OG1 : rot -46:sc= 0.421 USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 GLN : amide:sc= -0.357 K(o=-0.36,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 284 N TYR A 18 3.900 8.643 16.554 1.00 0.00 N ATOM 285 CA TYR A 18 4.805 9.678 16.038 1.00 0.00 C ATOM 286 C TYR A 18 6.280 9.564 16.431 1.00 0.00 C ATOM 287 O TYR A 18 7.121 10.192 15.805 1.00 0.00 O ATOM 288 CB TYR A 18 4.273 11.138 16.104 1.00 0.00 C ATOM 289 CG TYR A 18 3.388 11.376 17.297 1.00 0.00 C ATOM 290 CD1 TYR A 18 2.050 11.005 17.254 1.00 0.00 C ATOM 291 CD2 TYR A 18 3.889 11.952 18.455 1.00 0.00 C ATOM 292 CE1 TYR A 18 1.234 11.219 18.339 1.00 0.00 C ATOM 293 CE2 TYR A 18 3.051 12.218 19.518 1.00 0.00 C ATOM 294 CZ TYR A 18 1.726 11.864 19.449 1.00 0.00 C ATOM 295 OH TYR A 18 0.913 12.035 20.577 1.00 0.00 O ATOM 0 HA TYR A 18 4.796 9.419 14.979 1.00 0.00 H new ATOM 0 HB2 TYR A 18 5.117 11.827 16.138 1.00 0.00 H new ATOM 0 HB3 TYR A 18 3.717 11.360 15.193 1.00 0.00 H new ATOM 0 HD1 TYR A 18 1.649 10.546 16.363 1.00 0.00 H new ATOM 0 HD2 TYR A 18 4.939 12.193 18.525 1.00 0.00 H new ATOM 0 HE1 TYR A 18 0.208 10.881 18.320 1.00 0.00 H new ATOM 0 HE2 TYR A 18 3.436 12.704 20.402 1.00 0.00 H new ATOM 0 HH TYR A 18 1.414 12.509 21.273 1.00 0.00 H new ATOM 305 N ASP A 19 6.639 8.755 17.468 1.00 0.00 N ATOM 306 CA ASP A 19 8.021 8.427 17.840 1.00 0.00 C ATOM 307 C ASP A 19 8.635 7.336 16.936 1.00 0.00 C ATOM 308 O ASP A 19 9.685 7.566 16.352 1.00 0.00 O ATOM 309 CB ASP A 19 8.169 8.029 19.336 1.00 0.00 C ATOM 310 CG ASP A 19 7.877 9.240 20.231 1.00 0.00 C ATOM 311 OD1 ASP A 19 6.730 9.761 20.191 1.00 0.00 O ATOM 312 OD2 ASP A 19 8.806 9.659 20.972 1.00 0.00 O ATOM 0 H ASP A 19 5.950 8.309 18.074 1.00 0.00 H new ATOM 0 HA ASP A 19 8.581 9.350 17.686 1.00 0.00 H new ATOM 0 HB2 ASP A 19 7.483 7.216 19.574 1.00 0.00 H new ATOM 0 HB3 ASP A 19 9.177 7.661 19.525 1.00 0.00 H new ATOM 317 N MET A 20 8.000 6.131 16.779 1.00 0.00 N ATOM 318 CA MET A 20 8.420 4.997 15.929 1.00 0.00 C ATOM 319 C MET A 20 8.153 5.138 14.449 1.00 0.00 C ATOM 320 O MET A 20 8.804 4.542 13.590 1.00 0.00 O ATOM 321 CB MET A 20 7.957 3.596 16.464 1.00 0.00 C ATOM 322 CG MET A 20 6.595 3.040 15.979 1.00 0.00 C ATOM 323 SD MET A 20 6.661 1.374 15.212 1.00 0.00 S ATOM 324 CE MET A 20 7.940 1.502 13.915 1.00 0.00 C ATOM 0 H MET A 20 7.133 5.927 17.276 1.00 0.00 H new ATOM 0 HA MET A 20 9.505 5.043 16.021 1.00 0.00 H new ATOM 0 HB2 MET A 20 8.726 2.869 16.202 1.00 0.00 H new ATOM 0 HB3 MET A 20 7.926 3.649 17.552 1.00 0.00 H new ATOM 0 HG2 MET A 20 5.912 3.005 16.828 1.00 0.00 H new ATOM 0 HG3 MET A 20 6.172 3.738 15.257 1.00 0.00 H new ATOM 0 HE1 MET A 20 7.979 0.571 13.349 1.00 0.00 H new ATOM 0 HE2 MET A 20 7.696 2.325 13.244 1.00 0.00 H new ATOM 0 HE3 MET A 20 8.910 1.686 14.377 1.00 0.00 H new ATOM 334 N VAL A 21 7.123 5.943 14.114 1.00 0.00 N ATOM 335 CA VAL A 21 6.670 6.167 12.712 1.00 0.00 C ATOM 336 C VAL A 21 7.617 6.895 11.782 1.00 0.00 C ATOM 337 O VAL A 21 7.617 6.646 10.578 1.00 0.00 O ATOM 338 CB VAL A 21 5.188 6.531 12.578 1.00 0.00 C ATOM 339 CG1 VAL A 21 4.920 7.991 12.117 1.00 0.00 C ATOM 340 CG2 VAL A 21 4.493 5.456 11.720 1.00 0.00 C ATOM 0 H VAL A 21 6.577 6.460 14.804 1.00 0.00 H new ATOM 0 HA VAL A 21 6.737 5.164 12.290 1.00 0.00 H new ATOM 0 HB VAL A 21 4.741 6.526 13.572 1.00 0.00 H new ATOM 0 HG11 VAL A 21 3.845 8.160 12.050 1.00 0.00 H new ATOM 0 HG12 VAL A 21 5.352 8.685 12.838 1.00 0.00 H new ATOM 0 HG13 VAL A 21 5.375 8.153 11.140 1.00 0.00 H new ATOM 0 HG21 VAL A 21 3.436 5.701 11.615 1.00 0.00 H new ATOM 0 HG22 VAL A 21 4.957 5.421 10.734 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.594 4.484 12.203 1.00 0.00 H new ATOM 350 N VAL A 22 8.452 7.830 12.329 1.00 0.00 N ATOM 351 CA VAL A 22 9.461 8.665 11.642 1.00 0.00 C ATOM 352 C VAL A 22 10.454 7.903 10.765 1.00 0.00 C ATOM 353 O VAL A 22 10.857 8.355 9.697 1.00 0.00 O ATOM 354 CB VAL A 22 10.239 9.551 12.628 1.00 0.00 C ATOM 355 CG1 VAL A 22 9.205 10.208 13.540 1.00 0.00 C ATOM 356 CG2 VAL A 22 11.225 8.805 13.546 1.00 0.00 C ATOM 0 H VAL A 22 8.428 8.025 13.330 1.00 0.00 H new ATOM 0 HA VAL A 22 8.863 9.280 10.970 1.00 0.00 H new ATOM 0 HB VAL A 22 10.832 10.239 12.026 1.00 0.00 H new ATOM 0 HG11 VAL A 22 9.711 10.850 14.261 1.00 0.00 H new ATOM 0 HG12 VAL A 22 8.519 10.806 12.940 1.00 0.00 H new ATOM 0 HG13 VAL A 22 8.646 9.437 14.070 1.00 0.00 H new ATOM 0 HG21 VAL A 22 11.722 9.519 14.202 1.00 0.00 H new ATOM 0 HG22 VAL A 22 10.682 8.076 14.148 1.00 0.00 H new ATOM 0 HG23 VAL A 22 11.970 8.291 12.939 1.00 0.00 H new ATOM 366 N LYS A 23 10.803 6.670 11.207 1.00 0.00 N ATOM 367 CA LYS A 23 11.574 5.688 10.450 1.00 0.00 C ATOM 368 C LYS A 23 10.850 4.976 9.310 1.00 0.00 C ATOM 369 O LYS A 23 11.459 4.661 8.293 1.00 0.00 O ATOM 370 CB LYS A 23 12.193 4.679 11.426 1.00 0.00 C ATOM 371 CG LYS A 23 13.181 5.394 12.356 1.00 0.00 C ATOM 372 CD LYS A 23 13.155 4.846 13.780 1.00 0.00 C ATOM 373 CE LYS A 23 11.924 5.352 14.534 1.00 0.00 C ATOM 374 NZ LYS A 23 11.958 4.867 15.930 1.00 0.00 N ATOM 0 H LYS A 23 10.540 6.333 12.133 1.00 0.00 H new ATOM 0 HA LYS A 23 12.339 6.264 9.929 1.00 0.00 H new ATOM 0 HB2 LYS A 23 11.410 4.199 12.013 1.00 0.00 H new ATOM 0 HB3 LYS A 23 12.705 3.891 10.873 1.00 0.00 H new ATOM 0 HG2 LYS A 23 14.189 5.296 11.952 1.00 0.00 H new ATOM 0 HG3 LYS A 23 12.948 6.459 12.377 1.00 0.00 H new ATOM 0 HD2 LYS A 23 13.149 3.756 13.755 1.00 0.00 H new ATOM 0 HD3 LYS A 23 14.060 5.148 14.307 1.00 0.00 H new ATOM 0 HE2 LYS A 23 11.899 6.442 14.518 1.00 0.00 H new ATOM 0 HE3 LYS A 23 11.016 5.005 14.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 11.651 5.628 16.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 11.320 4.052 16.030 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 12.927 4.580 16.174 1.00 0.00 H new ATOM 388 N ILE A 24 9.515 4.693 9.428 1.00 0.00 N ATOM 389 CA ILE A 24 8.713 4.052 8.367 1.00 0.00 C ATOM 390 C ILE A 24 8.358 4.989 7.246 1.00 0.00 C ATOM 391 O ILE A 24 8.389 4.574 6.106 1.00 0.00 O ATOM 392 CB ILE A 24 7.544 3.146 8.801 1.00 0.00 C ATOM 393 CG1 ILE A 24 8.053 1.673 8.826 1.00 0.00 C ATOM 394 CG2 ILE A 24 6.258 3.289 7.919 1.00 0.00 C ATOM 395 CD1 ILE A 24 7.138 0.758 9.645 1.00 0.00 C ATOM 0 H ILE A 24 8.977 4.908 10.267 1.00 0.00 H new ATOM 0 HA ILE A 24 9.416 3.320 7.970 1.00 0.00 H new ATOM 0 HB ILE A 24 7.228 3.465 9.794 1.00 0.00 H new ATOM 0 HG12 ILE A 24 8.121 1.297 7.805 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.059 1.645 9.244 1.00 0.00 H new ATOM 0 HG21 ILE A 24 5.485 2.618 8.292 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.899 4.317 7.964 1.00 0.00 H new ATOM 0 HG23 ILE A 24 6.495 3.032 6.886 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.534 -0.258 9.633 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.091 1.117 10.673 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.137 0.763 9.213 1.00 0.00 H new ATOM 407 N ILE A 25 8.068 6.301 7.454 1.00 0.00 N ATOM 408 CA ILE A 25 7.742 7.284 6.381 1.00 0.00 C ATOM 409 C ILE A 25 8.767 7.375 5.236 1.00 0.00 C ATOM 410 O ILE A 25 8.421 7.592 4.078 1.00 0.00 O ATOM 411 CB ILE A 25 7.232 8.631 6.893 1.00 0.00 C ATOM 412 CG1 ILE A 25 8.270 9.352 7.782 1.00 0.00 C ATOM 413 CG2 ILE A 25 5.896 8.360 7.618 1.00 0.00 C ATOM 414 CD1 ILE A 25 7.659 10.345 8.781 1.00 0.00 C ATOM 0 H ILE A 25 8.053 6.714 8.387 1.00 0.00 H new ATOM 0 HA ILE A 25 6.874 6.841 5.892 1.00 0.00 H new ATOM 0 HB ILE A 25 7.068 9.320 6.064 1.00 0.00 H new ATOM 0 HG12 ILE A 25 8.842 8.605 8.333 1.00 0.00 H new ATOM 0 HG13 ILE A 25 8.974 9.884 7.142 1.00 0.00 H new ATOM 0 HG21 ILE A 25 5.494 9.298 8.002 1.00 0.00 H new ATOM 0 HG22 ILE A 25 5.185 7.919 6.919 1.00 0.00 H new ATOM 0 HG23 ILE A 25 6.065 7.672 8.446 1.00 0.00 H new ATOM 0 HD11 ILE A 25 8.454 10.808 9.366 1.00 0.00 H new ATOM 0 HD12 ILE A 25 7.111 11.116 8.239 1.00 0.00 H new ATOM 0 HD13 ILE A 25 6.978 9.817 9.448 1.00 0.00 H new ATOM 426 N ASP A 26 10.052 7.072 5.575 1.00 0.00 N ATOM 427 CA ASP A 26 11.160 6.781 4.666 1.00 0.00 C ATOM 428 C ASP A 26 11.000 5.516 3.779 1.00 0.00 C ATOM 429 O ASP A 26 11.705 5.424 2.778 1.00 0.00 O ATOM 430 CB ASP A 26 12.517 6.672 5.422 1.00 0.00 C ATOM 431 CG ASP A 26 12.767 7.938 6.247 1.00 0.00 C ATOM 432 OD1 ASP A 26 12.833 9.039 5.638 1.00 0.00 O ATOM 433 OD2 ASP A 26 12.898 7.815 7.494 1.00 0.00 O ATOM 0 H ASP A 26 10.342 7.026 6.552 1.00 0.00 H new ATOM 0 HA ASP A 26 11.147 7.640 3.995 1.00 0.00 H new ATOM 0 HB2 ASP A 26 12.508 5.799 6.075 1.00 0.00 H new ATOM 0 HB3 ASP A 26 13.328 6.528 4.709 1.00 0.00 H new ATOM 438 N VAL A 27 10.071 4.510 4.072 1.00 0.00 N ATOM 439 CA VAL A 27 9.836 3.300 3.233 1.00 0.00 C ATOM 440 C VAL A 27 9.256 3.649 1.904 1.00 0.00 C ATOM 441 O VAL A 27 9.801 3.281 0.873 1.00 0.00 O ATOM 442 CB VAL A 27 8.892 2.107 3.695 1.00 0.00 C ATOM 443 CG1 VAL A 27 9.798 0.991 4.150 1.00 0.00 C ATOM 444 CG2 VAL A 27 7.763 2.283 4.724 1.00 0.00 C ATOM 0 H VAL A 27 9.478 4.540 4.901 1.00 0.00 H new ATOM 0 HA VAL A 27 10.861 2.933 3.280 1.00 0.00 H new ATOM 0 HB VAL A 27 8.288 1.944 2.802 1.00 0.00 H new ATOM 0 HG11 VAL A 27 9.195 0.144 4.479 1.00 0.00 H new ATOM 0 HG12 VAL A 27 10.438 0.682 3.323 1.00 0.00 H new ATOM 0 HG13 VAL A 27 10.417 1.339 4.977 1.00 0.00 H new ATOM 0 HG21 VAL A 27 7.258 1.329 4.877 1.00 0.00 H new ATOM 0 HG22 VAL A 27 8.183 2.627 5.669 1.00 0.00 H new ATOM 0 HG23 VAL A 27 7.047 3.018 4.356 1.00 0.00 H new ATOM 454 N LEU A 28 8.104 4.361 1.893 1.00 0.00 N ATOM 455 CA LEU A 28 7.357 4.659 0.695 1.00 0.00 C ATOM 456 C LEU A 28 7.986 5.686 -0.272 1.00 0.00 C ATOM 457 O LEU A 28 8.093 5.411 -1.462 1.00 0.00 O ATOM 458 CB LEU A 28 5.869 5.085 0.957 1.00 0.00 C ATOM 459 CG LEU A 28 4.935 4.173 1.814 1.00 0.00 C ATOM 460 CD1 LEU A 28 5.402 2.721 1.984 1.00 0.00 C ATOM 461 CD2 LEU A 28 4.607 4.765 3.202 1.00 0.00 C ATOM 0 H LEU A 28 7.680 4.740 2.740 1.00 0.00 H new ATOM 0 HA LEU A 28 7.388 3.688 0.201 1.00 0.00 H new ATOM 0 HB2 LEU A 28 5.892 6.065 1.434 1.00 0.00 H new ATOM 0 HB3 LEU A 28 5.393 5.214 -0.015 1.00 0.00 H new ATOM 0 HG LEU A 28 4.029 4.145 1.209 1.00 0.00 H new ATOM 0 HD11 LEU A 28 4.682 2.176 2.595 1.00 0.00 H new ATOM 0 HD12 LEU A 28 5.480 2.247 1.006 1.00 0.00 H new ATOM 0 HD13 LEU A 28 6.376 2.707 2.472 1.00 0.00 H new ATOM 0 HD21 LEU A 28 3.955 4.081 3.744 1.00 0.00 H new ATOM 0 HD22 LEU A 28 5.530 4.908 3.764 1.00 0.00 H new ATOM 0 HD23 LEU A 28 4.105 5.724 3.079 1.00 0.00 H new ATOM 473 N ARG A 29 8.458 6.884 0.202 1.00 0.00 N ATOM 474 CA ARG A 29 9.006 8.039 -0.574 1.00 0.00 C ATOM 475 C ARG A 29 10.114 7.754 -1.599 1.00 0.00 C ATOM 476 O ARG A 29 10.290 8.455 -2.589 1.00 0.00 O ATOM 477 CB ARG A 29 9.421 9.162 0.425 1.00 0.00 C ATOM 478 CG ARG A 29 9.499 10.586 -0.170 1.00 0.00 C ATOM 479 CD ARG A 29 8.120 11.153 -0.564 1.00 0.00 C ATOM 480 NE ARG A 29 8.306 12.378 -1.423 1.00 0.00 N ATOM 481 CZ ARG A 29 8.375 12.343 -2.792 1.00 0.00 C ATOM 482 NH1 ARG A 29 8.254 11.167 -3.475 1.00 0.00 N ATOM 483 NH2 ARG A 29 8.565 13.506 -3.482 1.00 0.00 N ATOM 0 H ARG A 29 8.464 7.077 1.204 1.00 0.00 H new ATOM 0 HA ARG A 29 8.188 8.352 -1.223 1.00 0.00 H new ATOM 0 HB2 ARG A 29 8.710 9.171 1.251 1.00 0.00 H new ATOM 0 HB3 ARG A 29 10.394 8.909 0.845 1.00 0.00 H new ATOM 0 HG2 ARG A 29 9.965 11.252 0.556 1.00 0.00 H new ATOM 0 HG3 ARG A 29 10.144 10.571 -1.049 1.00 0.00 H new ATOM 0 HD2 ARG A 29 7.547 10.400 -1.105 1.00 0.00 H new ATOM 0 HD3 ARG A 29 7.550 11.406 0.330 1.00 0.00 H new ATOM 0 HE ARG A 29 8.385 13.283 -0.960 1.00 0.00 H new ATOM 0 HH11 ARG A 29 8.110 10.295 -2.967 1.00 0.00 H new ATOM 0 HH12 ARG A 29 8.308 11.161 -4.494 1.00 0.00 H new ATOM 0 HH21 ARG A 29 8.654 14.389 -2.979 1.00 0.00 H new ATOM 0 HH22 ARG A 29 8.618 13.492 -4.501 1.00 0.00 H new ATOM 497 N SER A 30 10.893 6.680 -1.340 1.00 0.00 N ATOM 498 CA SER A 30 12.053 6.191 -2.119 1.00 0.00 C ATOM 499 C SER A 30 11.617 5.475 -3.379 1.00 0.00 C ATOM 500 O SER A 30 11.984 5.841 -4.491 1.00 0.00 O ATOM 501 CB SER A 30 12.927 5.224 -1.256 1.00 0.00 C ATOM 502 OG SER A 30 14.259 4.973 -1.736 1.00 0.00 O ATOM 0 H SER A 30 10.716 6.092 -0.526 1.00 0.00 H new ATOM 0 HA SER A 30 12.641 7.064 -2.401 1.00 0.00 H new ATOM 0 HB2 SER A 30 12.997 5.633 -0.248 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.406 4.270 -1.177 1.00 0.00 H new ATOM 0 HG SER A 30 14.717 4.360 -1.124 1.00 0.00 H new ATOM 508 N HIS A 31 10.694 4.479 -3.227 1.00 0.00 N ATOM 509 CA HIS A 31 10.012 3.819 -4.321 1.00 0.00 C ATOM 510 C HIS A 31 8.997 4.748 -5.026 1.00 0.00 C ATOM 511 O HIS A 31 8.740 4.608 -6.212 1.00 0.00 O ATOM 512 CB HIS A 31 9.295 2.518 -3.903 1.00 0.00 C ATOM 513 CG HIS A 31 9.862 1.636 -2.813 1.00 0.00 C ATOM 514 ND1 HIS A 31 10.741 0.588 -2.819 1.00 0.00 N flip ATOM 515 CD2 HIS A 31 9.090 1.456 -1.692 1.00 0.00 C flip ATOM 516 CE1 HIS A 31 10.512 -0.244 -1.726 1.00 0.00 C flip ATOM 517 NE2 HIS A 31 9.511 0.330 -1.084 1.00 0.00 N flip ATOM 0 H HIS A 31 10.416 4.125 -2.312 1.00 0.00 H new ATOM 0 HA HIS A 31 10.808 3.558 -5.019 1.00 0.00 H new ATOM 0 HB2 HIS A 31 8.285 2.793 -3.599 1.00 0.00 H new ATOM 0 HB3 HIS A 31 9.203 1.902 -4.797 1.00 0.00 H new ATOM 0 HD2 HIS A 31 8.290 2.100 -1.358 1.00 0.00 H new ATOM 0 HE1 HIS A 31 11.034 -1.152 -1.463 1.00 0.00 H new ATOM 0 HE2 HIS A 31 9.103 -0.038 -0.225 1.00 0.00 H new ATOM 525 N ASN A 32 8.373 5.713 -4.280 1.00 0.00 N ATOM 526 CA ASN A 32 7.368 6.680 -4.760 1.00 0.00 C ATOM 527 C ASN A 32 7.946 7.784 -5.651 1.00 0.00 C ATOM 528 O ASN A 32 7.315 8.204 -6.614 1.00 0.00 O ATOM 529 CB ASN A 32 6.507 7.287 -3.616 1.00 0.00 C ATOM 530 CG ASN A 32 5.458 6.285 -3.125 1.00 0.00 C ATOM 531 OD1 ASN A 32 4.293 6.647 -2.970 1.00 0.00 O ATOM 532 ND2 ASN A 32 5.859 5.019 -2.858 1.00 0.00 N ATOM 0 H ASN A 32 8.575 5.831 -3.287 1.00 0.00 H new ATOM 0 HA ASN A 32 6.706 6.083 -5.388 1.00 0.00 H new ATOM 0 HB2 ASN A 32 7.152 7.579 -2.787 1.00 0.00 H new ATOM 0 HB3 ASN A 32 6.013 8.192 -3.969 1.00 0.00 H new ATOM 0 HD21 ASN A 32 5.186 4.332 -2.517 1.00 0.00 H new ATOM 0 HD22 ASN A 32 6.834 4.753 -2.998 1.00 0.00 H new ATOM 539 N GLU A 33 9.205 8.243 -5.422 1.00 0.00 N ATOM 540 CA GLU A 33 9.923 9.132 -6.347 1.00 0.00 C ATOM 541 C GLU A 33 10.384 8.429 -7.623 1.00 0.00 C ATOM 542 O GLU A 33 10.366 8.997 -8.702 1.00 0.00 O ATOM 543 CB GLU A 33 11.047 9.932 -5.628 1.00 0.00 C ATOM 544 CG GLU A 33 12.373 9.191 -5.403 1.00 0.00 C ATOM 545 CD GLU A 33 13.332 10.058 -4.589 1.00 0.00 C ATOM 546 OE1 GLU A 33 13.008 10.346 -3.404 1.00 0.00 O ATOM 547 OE2 GLU A 33 14.401 10.439 -5.136 1.00 0.00 O ATOM 0 H GLU A 33 9.742 8.002 -4.589 1.00 0.00 H new ATOM 0 HA GLU A 33 9.202 9.873 -6.692 1.00 0.00 H new ATOM 0 HB2 GLU A 33 11.252 10.831 -6.209 1.00 0.00 H new ATOM 0 HB3 GLU A 33 10.669 10.258 -4.659 1.00 0.00 H new ATOM 0 HG2 GLU A 33 12.189 8.252 -4.881 1.00 0.00 H new ATOM 0 HG3 GLU A 33 12.825 8.939 -6.363 1.00 0.00 H new ATOM 554 N ALA A 34 10.762 7.131 -7.488 1.00 0.00 N ATOM 555 CA ALA A 34 11.110 6.159 -8.506 1.00 0.00 C ATOM 556 C ALA A 34 9.970 5.622 -9.310 1.00 0.00 C ATOM 557 O ALA A 34 10.145 5.249 -10.466 1.00 0.00 O ATOM 558 CB ALA A 34 11.901 5.016 -7.830 1.00 0.00 C ATOM 0 H ALA A 34 10.831 6.717 -6.558 1.00 0.00 H new ATOM 0 HA ALA A 34 11.713 6.685 -9.245 1.00 0.00 H new ATOM 0 HB1 ALA A 34 12.174 4.271 -8.577 1.00 0.00 H new ATOM 0 HB2 ALA A 34 12.804 5.420 -7.373 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.283 4.550 -7.063 1.00 0.00 H new ATOM 564 N CYS A 35 8.738 5.607 -8.716 1.00 0.00 N ATOM 565 CA CYS A 35 7.492 5.158 -9.302 1.00 0.00 C ATOM 566 C CYS A 35 7.106 5.850 -10.561 1.00 0.00 C ATOM 567 O CYS A 35 6.604 5.168 -11.430 1.00 0.00 O ATOM 568 CB CYS A 35 6.266 4.996 -8.330 1.00 0.00 C ATOM 569 SG CYS A 35 5.209 6.450 -7.955 1.00 0.00 S ATOM 0 H CYS A 35 8.610 5.933 -7.758 1.00 0.00 H new ATOM 0 HA CYS A 35 7.763 4.137 -9.570 1.00 0.00 H new ATOM 0 HB2 CYS A 35 5.621 4.222 -8.745 1.00 0.00 H new ATOM 0 HB3 CYS A 35 6.649 4.618 -7.382 1.00 0.00 H new ATOM 0 HG CYS A 35 5.919 7.360 -7.358 1.00 0.00 H new ATOM 575 N GLN A 36 7.447 7.165 -10.738 1.00 0.00 N ATOM 576 CA GLN A 36 7.208 8.054 -11.887 1.00 0.00 C ATOM 577 C GLN A 36 7.646 7.555 -13.266 1.00 0.00 C ATOM 578 O GLN A 36 7.349 8.138 -14.303 1.00 0.00 O ATOM 579 CB GLN A 36 7.776 9.471 -11.578 1.00 0.00 C ATOM 580 CG GLN A 36 9.306 9.624 -11.410 1.00 0.00 C ATOM 581 CD GLN A 36 10.141 9.693 -12.690 1.00 0.00 C ATOM 582 OE1 GLN A 36 10.203 10.685 -13.421 1.00 0.00 O ATOM 583 NE2 GLN A 36 10.874 8.572 -12.917 1.00 0.00 N ATOM 0 H GLN A 36 7.944 7.662 -9.999 1.00 0.00 H new ATOM 0 HA GLN A 36 6.123 8.081 -11.991 1.00 0.00 H new ATOM 0 HB2 GLN A 36 7.461 10.138 -12.380 1.00 0.00 H new ATOM 0 HB3 GLN A 36 7.303 9.827 -10.663 1.00 0.00 H new ATOM 0 HG2 GLN A 36 9.495 10.529 -10.833 1.00 0.00 H new ATOM 0 HG3 GLN A 36 9.667 8.785 -10.815 1.00 0.00 H new ATOM 0 HE21 GLN A 36 10.793 7.773 -12.288 1.00 0.00 H new ATOM 0 HE22 GLN A 36 11.506 8.529 -13.717 1.00 0.00 H new ATOM 592 N GLU A 37 8.434 6.462 -13.221 1.00 0.00 N ATOM 593 CA GLU A 37 9.111 5.774 -14.305 1.00 0.00 C ATOM 594 C GLU A 37 8.369 4.554 -14.797 1.00 0.00 C ATOM 595 O GLU A 37 8.381 4.208 -15.973 1.00 0.00 O ATOM 596 CB GLU A 37 10.470 5.235 -13.752 1.00 0.00 C ATOM 597 CG GLU A 37 11.347 4.346 -14.666 1.00 0.00 C ATOM 598 CD GLU A 37 12.015 5.166 -15.767 1.00 0.00 C ATOM 599 OE1 GLU A 37 11.297 5.616 -16.701 1.00 0.00 O ATOM 600 OE2 GLU A 37 13.260 5.348 -15.694 1.00 0.00 O ATOM 0 H GLU A 37 8.622 6.005 -12.329 1.00 0.00 H new ATOM 0 HA GLU A 37 9.204 6.490 -15.122 1.00 0.00 H new ATOM 0 HB2 GLU A 37 11.070 6.095 -13.455 1.00 0.00 H new ATOM 0 HB3 GLU A 37 10.256 4.667 -12.846 1.00 0.00 H new ATOM 0 HG2 GLU A 37 12.110 3.848 -14.068 1.00 0.00 H new ATOM 0 HG3 GLU A 37 10.733 3.565 -15.114 1.00 0.00 H new ATOM 607 N ASN A 38 7.822 3.798 -13.845 1.00 0.00 N ATOM 608 CA ASN A 38 7.338 2.461 -14.061 1.00 0.00 C ATOM 609 C ASN A 38 5.889 2.493 -13.723 1.00 0.00 C ATOM 610 O ASN A 38 5.480 3.252 -12.850 1.00 0.00 O ATOM 611 CB ASN A 38 8.123 1.550 -13.092 1.00 0.00 C ATOM 612 CG ASN A 38 9.568 1.452 -13.569 1.00 0.00 C ATOM 613 OD1 ASN A 38 9.804 1.179 -14.741 1.00 0.00 O ATOM 614 ND2 ASN A 38 10.567 1.684 -12.681 1.00 0.00 N ATOM 0 H ASN A 38 7.707 4.119 -12.884 1.00 0.00 H new ATOM 0 HA ASN A 38 7.469 2.095 -15.079 1.00 0.00 H new ATOM 0 HB2 ASN A 38 8.086 1.955 -12.081 1.00 0.00 H new ATOM 0 HB3 ASN A 38 7.670 0.559 -13.055 1.00 0.00 H new ATOM 0 HD21 ASN A 38 11.540 1.633 -12.983 1.00 0.00 H new ATOM 0 HD22 ASN A 38 10.345 1.909 -11.711 1.00 0.00 H new ATOM 621 N LYS A 39 5.034 1.667 -14.379 1.00 0.00 N ATOM 622 CA LYS A 39 3.571 1.694 -14.215 1.00 0.00 C ATOM 623 C LYS A 39 3.070 1.528 -12.770 1.00 0.00 C ATOM 624 O LYS A 39 2.328 2.336 -12.210 1.00 0.00 O ATOM 625 CB LYS A 39 2.944 0.704 -15.245 1.00 0.00 C ATOM 626 CG LYS A 39 3.417 -0.773 -15.181 1.00 0.00 C ATOM 627 CD LYS A 39 2.535 -1.644 -14.269 1.00 0.00 C ATOM 628 CE LYS A 39 1.509 -2.477 -15.050 1.00 0.00 C ATOM 629 NZ LYS A 39 0.620 -3.233 -14.138 1.00 0.00 N ATOM 0 H LYS A 39 5.352 0.959 -15.041 1.00 0.00 H new ATOM 0 HA LYS A 39 3.219 2.701 -14.437 1.00 0.00 H new ATOM 0 HB2 LYS A 39 1.862 0.719 -15.114 1.00 0.00 H new ATOM 0 HB3 LYS A 39 3.149 1.082 -16.246 1.00 0.00 H new ATOM 0 HG2 LYS A 39 3.418 -1.193 -16.187 1.00 0.00 H new ATOM 0 HG3 LYS A 39 4.446 -0.805 -14.822 1.00 0.00 H new ATOM 0 HD2 LYS A 39 3.171 -2.312 -13.687 1.00 0.00 H new ATOM 0 HD3 LYS A 39 2.011 -1.004 -13.559 1.00 0.00 H new ATOM 0 HE2 LYS A 39 0.911 -1.821 -15.682 1.00 0.00 H new ATOM 0 HE3 LYS A 39 2.029 -3.170 -15.711 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 -0.300 -3.387 -14.598 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 1.053 -4.152 -13.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 0.481 -2.692 -13.261 1.00 0.00 H new ATOM 643 N ASP A 40 3.617 0.438 -12.213 1.00 0.00 N ATOM 644 CA ASP A 40 3.703 -0.036 -10.852 1.00 0.00 C ATOM 645 C ASP A 40 4.958 -0.911 -10.683 1.00 0.00 C ATOM 646 O ASP A 40 4.868 -2.126 -10.804 1.00 0.00 O ATOM 647 CB ASP A 40 2.400 -0.639 -10.226 1.00 0.00 C ATOM 648 CG ASP A 40 1.620 -1.660 -11.061 1.00 0.00 C ATOM 649 OD1 ASP A 40 2.110 -2.805 -11.235 1.00 0.00 O ATOM 650 OD2 ASP A 40 0.493 -1.307 -11.508 1.00 0.00 O ATOM 0 H ASP A 40 4.082 -0.231 -12.826 1.00 0.00 H new ATOM 0 HA ASP A 40 3.812 0.855 -10.234 1.00 0.00 H new ATOM 0 HB2 ASP A 40 2.669 -1.112 -9.281 1.00 0.00 H new ATOM 0 HB3 ASP A 40 1.728 0.186 -9.990 1.00 0.00 H new ATOM 655 N LEU A 41 6.171 -0.336 -10.363 1.00 0.00 N ATOM 656 CA LEU A 41 7.445 -1.005 -10.009 1.00 0.00 C ATOM 657 C LEU A 41 7.465 -1.949 -8.778 1.00 0.00 C ATOM 658 O LEU A 41 8.295 -2.840 -8.632 1.00 0.00 O ATOM 659 CB LEU A 41 8.590 0.010 -9.830 1.00 0.00 C ATOM 660 CG LEU A 41 8.541 0.898 -8.574 1.00 0.00 C ATOM 661 CD1 LEU A 41 9.751 1.822 -8.595 1.00 0.00 C ATOM 662 CD2 LEU A 41 7.270 1.722 -8.356 1.00 0.00 C ATOM 0 H LEU A 41 6.273 0.679 -10.350 1.00 0.00 H new ATOM 0 HA LEU A 41 7.579 -1.653 -10.875 1.00 0.00 H new ATOM 0 HB2 LEU A 41 9.532 -0.539 -9.821 1.00 0.00 H new ATOM 0 HB3 LEU A 41 8.608 0.660 -10.705 1.00 0.00 H new ATOM 0 HG LEU A 41 8.546 0.204 -7.734 1.00 0.00 H new ATOM 0 HD11 LEU A 41 9.736 2.461 -7.712 1.00 0.00 H new ATOM 0 HD12 LEU A 41 10.664 1.226 -8.596 1.00 0.00 H new ATOM 0 HD13 LEU A 41 9.721 2.441 -9.492 1.00 0.00 H new ATOM 0 HD21 LEU A 41 7.365 2.302 -7.438 1.00 0.00 H new ATOM 0 HD22 LEU A 41 7.126 2.398 -9.199 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.412 1.054 -8.276 1.00 0.00 H new ATOM 674 N GLN A 42 6.474 -1.707 -7.900 1.00 0.00 N ATOM 675 CA GLN A 42 5.928 -2.230 -6.677 1.00 0.00 C ATOM 676 C GLN A 42 4.699 -3.074 -6.965 1.00 0.00 C ATOM 677 O GLN A 42 3.781 -2.871 -6.167 1.00 0.00 O ATOM 678 CB GLN A 42 5.599 -1.102 -5.668 1.00 0.00 C ATOM 679 CG GLN A 42 6.840 -0.678 -4.877 1.00 0.00 C ATOM 680 CD GLN A 42 6.600 0.684 -4.218 1.00 0.00 C ATOM 681 OE1 GLN A 42 6.602 0.928 -3.009 1.00 0.00 O ATOM 682 NE2 GLN A 42 6.462 1.703 -5.113 1.00 0.00 N ATOM 0 H GLN A 42 5.894 -0.901 -8.134 1.00 0.00 H new ATOM 0 HA GLN A 42 6.687 -2.864 -6.218 1.00 0.00 H new ATOM 0 HB2 GLN A 42 5.195 -0.242 -6.201 1.00 0.00 H new ATOM 0 HB3 GLN A 42 4.826 -1.442 -4.979 1.00 0.00 H new ATOM 0 HG2 GLN A 42 7.069 -1.424 -4.116 1.00 0.00 H new ATOM 0 HG3 GLN A 42 7.703 -0.623 -5.540 1.00 0.00 H new ATOM 0 HE21 GLN A 42 6.460 1.506 -6.114 1.00 0.00 H new ATOM 0 HE22 GLN A 42 6.361 2.662 -4.782 1.00 0.00 H new ATOM 691 N PRO A 43 4.468 -3.931 -8.036 1.00 0.00 N ATOM 692 CA PRO A 43 3.176 -4.528 -8.434 1.00 0.00 C ATOM 693 C PRO A 43 2.416 -5.223 -7.281 1.00 0.00 C ATOM 694 O PRO A 43 1.195 -5.271 -7.369 1.00 0.00 O ATOM 695 CB PRO A 43 3.536 -5.527 -9.559 1.00 0.00 C ATOM 696 CG PRO A 43 4.990 -5.898 -9.291 1.00 0.00 C ATOM 697 CD PRO A 43 5.549 -4.566 -8.798 1.00 0.00 C ATOM 0 HA PRO A 43 2.484 -3.751 -8.758 1.00 0.00 H new ATOM 0 HB2 PRO A 43 2.891 -6.405 -9.531 1.00 0.00 H new ATOM 0 HB3 PRO A 43 3.417 -5.075 -10.544 1.00 0.00 H new ATOM 0 HG2 PRO A 43 5.083 -6.685 -8.543 1.00 0.00 H new ATOM 0 HG3 PRO A 43 5.497 -6.250 -10.189 1.00 0.00 H new ATOM 0 HD2 PRO A 43 6.429 -4.719 -8.173 1.00 0.00 H new ATOM 0 HD3 PRO A 43 5.857 -3.939 -9.634 1.00 0.00 H new ATOM 705 N TYR A 44 3.142 -5.694 -6.215 1.00 0.00 N ATOM 706 CA TYR A 44 2.666 -6.267 -4.962 1.00 0.00 C ATOM 707 C TYR A 44 3.832 -6.219 -3.970 1.00 0.00 C ATOM 708 O TYR A 44 4.988 -6.220 -4.395 1.00 0.00 O ATOM 709 CB TYR A 44 2.259 -7.778 -5.074 1.00 0.00 C ATOM 710 CG TYR A 44 1.012 -7.953 -5.920 1.00 0.00 C ATOM 711 CD1 TYR A 44 -0.214 -7.539 -5.419 1.00 0.00 C ATOM 712 CD2 TYR A 44 1.052 -8.441 -7.226 1.00 0.00 C ATOM 713 CE1 TYR A 44 -1.360 -7.610 -6.183 1.00 0.00 C ATOM 714 CE2 TYR A 44 -0.096 -8.497 -7.994 1.00 0.00 C ATOM 715 CZ TYR A 44 -1.296 -8.074 -7.476 1.00 0.00 C ATOM 716 OH TYR A 44 -2.448 -8.103 -8.282 1.00 0.00 O ATOM 0 H TYR A 44 4.161 -5.668 -6.239 1.00 0.00 H new ATOM 0 HA TYR A 44 1.788 -5.696 -4.662 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.080 -8.346 -5.511 1.00 0.00 H new ATOM 0 HB3 TYR A 44 2.085 -8.185 -4.078 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -0.272 -7.154 -4.412 1.00 0.00 H new ATOM 0 HD2 TYR A 44 1.990 -8.779 -7.642 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -2.307 -7.301 -5.766 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.049 -8.875 -9.005 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.220 -8.459 -9.166 1.00 0.00 H new ATOM 726 N MET A 45 3.520 -6.173 -2.643 1.00 0.00 N ATOM 727 CA MET A 45 4.408 -6.117 -1.476 1.00 0.00 C ATOM 728 C MET A 45 3.608 -6.700 -0.231 1.00 0.00 C ATOM 729 O MET A 45 2.445 -6.322 -0.124 1.00 0.00 O ATOM 730 CB MET A 45 4.815 -4.615 -1.224 1.00 0.00 C ATOM 731 CG MET A 45 5.520 -3.768 -2.325 1.00 0.00 C ATOM 732 SD MET A 45 5.445 -1.991 -1.957 1.00 0.00 S ATOM 733 CE MET A 45 7.099 -1.774 -1.230 1.00 0.00 C ATOM 0 H MET A 45 2.543 -6.175 -2.351 1.00 0.00 H new ATOM 0 HA MET A 45 5.314 -6.702 -1.633 1.00 0.00 H new ATOM 0 HB2 MET A 45 3.905 -4.082 -0.948 1.00 0.00 H new ATOM 0 HB3 MET A 45 5.467 -4.606 -0.351 1.00 0.00 H new ATOM 0 HG2 MET A 45 6.561 -4.078 -2.411 1.00 0.00 H new ATOM 0 HG3 MET A 45 5.049 -3.960 -3.289 1.00 0.00 H new ATOM 0 HE1 MET A 45 7.063 -0.995 -0.469 1.00 0.00 H new ATOM 0 HE2 MET A 45 7.422 -2.710 -0.775 1.00 0.00 H new ATOM 0 HE3 MET A 45 7.804 -1.487 -2.010 1.00 0.00 H new ATOM 743 N PRO A 46 3.990 -7.592 0.742 1.00 0.00 N ATOM 744 CA PRO A 46 3.125 -8.065 1.881 1.00 0.00 C ATOM 745 C PRO A 46 2.842 -7.016 3.015 1.00 0.00 C ATOM 746 O PRO A 46 3.449 -5.955 3.029 1.00 0.00 O ATOM 747 CB PRO A 46 3.992 -9.226 2.452 1.00 0.00 C ATOM 748 CG PRO A 46 5.447 -8.827 2.150 1.00 0.00 C ATOM 749 CD PRO A 46 5.296 -8.261 0.731 1.00 0.00 C ATOM 0 HA PRO A 46 2.123 -8.314 1.531 1.00 0.00 H new ATOM 0 HB2 PRO A 46 3.831 -9.348 3.523 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.738 -10.176 1.981 1.00 0.00 H new ATOM 0 HG2 PRO A 46 5.828 -8.086 2.853 1.00 0.00 H new ATOM 0 HG3 PRO A 46 6.126 -9.679 2.186 1.00 0.00 H new ATOM 0 HD2 PRO A 46 6.098 -7.562 0.494 1.00 0.00 H new ATOM 0 HD3 PRO A 46 5.331 -9.052 -0.018 1.00 0.00 H new ATOM 757 N ILE A 47 1.979 -7.276 4.062 1.00 0.00 N ATOM 758 CA ILE A 47 1.767 -6.373 5.245 1.00 0.00 C ATOM 759 C ILE A 47 3.073 -6.120 6.048 1.00 0.00 C ATOM 760 O ILE A 47 3.425 -4.963 6.281 1.00 0.00 O ATOM 761 CB ILE A 47 0.556 -6.622 6.168 1.00 0.00 C ATOM 762 CG1 ILE A 47 -0.650 -7.252 5.431 1.00 0.00 C ATOM 763 CG2 ILE A 47 0.169 -5.253 6.790 1.00 0.00 C ATOM 764 CD1 ILE A 47 -1.907 -7.353 6.310 1.00 0.00 C ATOM 0 H ILE A 47 1.412 -8.123 4.103 1.00 0.00 H new ATOM 0 HA ILE A 47 1.466 -5.454 4.742 1.00 0.00 H new ATOM 0 HB ILE A 47 0.833 -7.345 6.935 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.879 -6.657 4.547 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.376 -8.248 5.083 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -0.687 -5.383 7.452 1.00 0.00 H new ATOM 0 HG22 ILE A 47 1.012 -4.861 7.359 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -0.090 -4.553 5.996 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.717 -7.803 5.736 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -1.693 -7.972 7.182 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.204 -6.356 6.637 1.00 0.00 H new ATOM 776 N PRO A 48 3.864 -7.140 6.458 1.00 0.00 N ATOM 777 CA PRO A 48 5.280 -7.073 6.762 1.00 0.00 C ATOM 778 C PRO A 48 6.243 -6.419 5.744 1.00 0.00 C ATOM 779 O PRO A 48 7.387 -6.292 6.134 1.00 0.00 O ATOM 780 CB PRO A 48 5.680 -8.261 7.661 1.00 0.00 C ATOM 781 CG PRO A 48 4.329 -8.981 7.833 1.00 0.00 C ATOM 782 CD PRO A 48 3.492 -8.539 6.607 1.00 0.00 C ATOM 0 HA PRO A 48 5.488 -6.207 7.390 1.00 0.00 H new ATOM 0 HB2 PRO A 48 6.428 -8.899 7.190 1.00 0.00 H new ATOM 0 HB3 PRO A 48 6.095 -7.933 8.614 1.00 0.00 H new ATOM 0 HG2 PRO A 48 4.457 -10.063 7.856 1.00 0.00 H new ATOM 0 HG3 PRO A 48 3.844 -8.697 8.767 1.00 0.00 H new ATOM 0 HD2 PRO A 48 3.736 -9.121 5.718 1.00 0.00 H new ATOM 0 HD3 PRO A 48 2.423 -8.658 6.782 1.00 0.00 H new ATOM 790 N HIS A 49 5.962 -6.104 4.422 1.00 0.00 N ATOM 791 CA HIS A 49 6.925 -5.550 3.419 1.00 0.00 C ATOM 792 C HIS A 49 7.639 -4.293 3.874 1.00 0.00 C ATOM 793 O HIS A 49 8.860 -4.196 3.843 1.00 0.00 O ATOM 794 CB HIS A 49 6.214 -5.188 2.063 1.00 0.00 C ATOM 795 CG HIS A 49 5.537 -3.849 1.791 1.00 0.00 C ATOM 796 ND1 HIS A 49 4.226 -3.572 1.547 1.00 0.00 N flip ATOM 797 CD2 HIS A 49 6.205 -2.671 1.527 1.00 0.00 C flip ATOM 798 CE1 HIS A 49 4.052 -2.241 1.198 1.00 0.00 C flip ATOM 799 NE2 HIS A 49 5.270 -1.740 1.203 1.00 0.00 N flip ATOM 0 H HIS A 49 5.030 -6.237 4.028 1.00 0.00 H new ATOM 0 HA HIS A 49 7.652 -6.353 3.293 1.00 0.00 H new ATOM 0 HB2 HIS A 49 6.963 -5.316 1.282 1.00 0.00 H new ATOM 0 HB3 HIS A 49 5.454 -5.953 1.903 1.00 0.00 H new ATOM 0 HD1 HIS A 49 3.471 -4.254 1.612 1.00 0.00 H new ATOM 0 HD2 HIS A 49 7.273 -2.517 1.570 1.00 0.00 H new ATOM 0 HE1 HIS A 49 3.127 -1.731 0.973 1.00 0.00 H new ATOM 807 N VAL A 50 6.836 -3.348 4.436 1.00 0.00 N ATOM 808 CA VAL A 50 7.265 -2.141 5.146 1.00 0.00 C ATOM 809 C VAL A 50 7.911 -2.473 6.489 1.00 0.00 C ATOM 810 O VAL A 50 8.893 -1.853 6.870 1.00 0.00 O ATOM 811 CB VAL A 50 6.228 -1.017 5.155 1.00 0.00 C ATOM 812 CG1 VAL A 50 5.449 -0.910 3.865 1.00 0.00 C ATOM 813 CG2 VAL A 50 5.327 -0.854 6.355 1.00 0.00 C ATOM 0 H VAL A 50 5.820 -3.425 4.396 1.00 0.00 H new ATOM 0 HA VAL A 50 8.067 -1.692 4.560 1.00 0.00 H new ATOM 0 HB VAL A 50 6.896 -0.162 5.255 1.00 0.00 H new ATOM 0 HG11 VAL A 50 4.731 -0.093 3.940 1.00 0.00 H new ATOM 0 HG12 VAL A 50 6.135 -0.716 3.041 1.00 0.00 H new ATOM 0 HG13 VAL A 50 4.918 -1.844 3.682 1.00 0.00 H new ATOM 0 HG21 VAL A 50 4.655 -0.011 6.194 1.00 0.00 H new ATOM 0 HG22 VAL A 50 4.742 -1.763 6.497 1.00 0.00 H new ATOM 0 HG23 VAL A 50 5.933 -0.670 7.242 1.00 0.00 H new ATOM 823 N ARG A 51 7.447 -3.556 7.180 1.00 0.00 N ATOM 824 CA ARG A 51 8.055 -4.224 8.330 1.00 0.00 C ATOM 825 C ARG A 51 9.391 -4.966 8.095 1.00 0.00 C ATOM 826 O ARG A 51 10.093 -5.319 9.031 1.00 0.00 O ATOM 827 CB ARG A 51 7.101 -5.067 9.185 1.00 0.00 C ATOM 828 CG ARG A 51 5.681 -4.502 9.331 1.00 0.00 C ATOM 829 CD ARG A 51 4.800 -5.438 10.179 1.00 0.00 C ATOM 830 NE ARG A 51 3.368 -5.433 9.707 1.00 0.00 N ATOM 831 CZ ARG A 51 2.324 -5.855 10.489 1.00 0.00 C ATOM 832 NH1 ARG A 51 2.530 -6.257 11.777 1.00 0.00 N ATOM 833 NH2 ARG A 51 1.059 -5.860 9.979 1.00 0.00 N ATOM 0 H ARG A 51 6.571 -4.005 6.913 1.00 0.00 H new ATOM 0 HA ARG A 51 8.322 -3.344 8.915 1.00 0.00 H new ATOM 0 HB2 ARG A 51 7.035 -6.065 8.751 1.00 0.00 H new ATOM 0 HB3 ARG A 51 7.534 -5.180 10.179 1.00 0.00 H new ATOM 0 HG2 ARG A 51 5.724 -3.517 9.796 1.00 0.00 H new ATOM 0 HG3 ARG A 51 5.235 -4.371 8.345 1.00 0.00 H new ATOM 0 HD2 ARG A 51 5.196 -6.453 10.131 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.840 -5.129 11.223 1.00 0.00 H new ATOM 0 HE ARG A 51 3.167 -5.101 8.764 1.00 0.00 H new ATOM 0 HH11 ARG A 51 3.471 -6.246 12.170 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.743 -6.568 12.346 1.00 0.00 H new ATOM 0 HH21 ARG A 51 0.894 -5.551 9.021 1.00 0.00 H new ATOM 0 HH22 ARG A 51 0.278 -6.173 10.556 1.00 0.00 H new ATOM 847 N ASP A 52 9.841 -5.250 6.849 1.00 0.00 N ATOM 848 CA ASP A 52 11.228 -5.679 6.588 1.00 0.00 C ATOM 849 C ASP A 52 12.261 -4.503 6.717 1.00 0.00 C ATOM 850 O ASP A 52 13.469 -4.715 6.765 1.00 0.00 O ATOM 851 CB ASP A 52 11.314 -6.351 5.179 1.00 0.00 C ATOM 852 CG ASP A 52 12.582 -7.193 4.976 1.00 0.00 C ATOM 853 OD1 ASP A 52 12.777 -8.165 5.753 1.00 0.00 O ATOM 854 OD2 ASP A 52 13.365 -6.871 4.042 1.00 0.00 O ATOM 0 H ASP A 52 9.261 -5.188 6.012 1.00 0.00 H new ATOM 0 HA ASP A 52 11.499 -6.406 7.354 1.00 0.00 H new ATOM 0 HB2 ASP A 52 10.440 -6.985 5.034 1.00 0.00 H new ATOM 0 HB3 ASP A 52 11.276 -5.576 4.413 1.00 0.00 H new ATOM 859 N SER A 53 11.773 -3.226 6.732 1.00 0.00 N ATOM 860 CA SER A 53 12.548 -1.986 6.782 1.00 0.00 C ATOM 861 C SER A 53 12.901 -1.289 8.112 1.00 0.00 C ATOM 862 O SER A 53 13.910 -0.585 8.164 1.00 0.00 O ATOM 863 CB SER A 53 11.800 -0.944 5.953 1.00 0.00 C ATOM 864 OG SER A 53 12.647 0.091 5.443 1.00 0.00 O ATOM 0 H SER A 53 10.770 -3.045 6.708 1.00 0.00 H new ATOM 0 HA SER A 53 13.518 -2.338 6.432 1.00 0.00 H new ATOM 0 HB2 SER A 53 11.304 -1.441 5.119 1.00 0.00 H new ATOM 0 HB3 SER A 53 11.019 -0.495 6.566 1.00 0.00 H new ATOM 0 HG SER A 53 12.379 0.311 4.526 1.00 0.00 H new ATOM 870 N LEU A 54 12.007 -1.390 9.153 1.00 0.00 N ATOM 871 CA LEU A 54 11.859 -0.577 10.387 1.00 0.00 C ATOM 872 C LEU A 54 13.002 -0.689 11.379 1.00 0.00 C ATOM 873 O LEU A 54 13.238 0.209 12.192 1.00 0.00 O ATOM 874 CB LEU A 54 10.433 -0.756 11.093 1.00 0.00 C ATOM 875 CG LEU A 54 9.903 -2.117 11.692 1.00 0.00 C ATOM 876 CD1 LEU A 54 8.379 -2.228 11.520 1.00 0.00 C ATOM 877 CD2 LEU A 54 10.481 -3.358 11.067 1.00 0.00 C ATOM 0 H LEU A 54 11.302 -2.127 9.133 1.00 0.00 H new ATOM 0 HA LEU A 54 11.912 0.447 10.018 1.00 0.00 H new ATOM 0 HB2 LEU A 54 10.406 -0.035 11.910 1.00 0.00 H new ATOM 0 HB3 LEU A 54 9.690 -0.437 10.362 1.00 0.00 H new ATOM 0 HG LEU A 54 10.215 -2.077 12.736 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.033 -3.173 11.939 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.893 -1.402 12.039 1.00 0.00 H new ATOM 0 HD13 LEU A 54 8.129 -2.188 10.460 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.055 -4.239 11.547 1.00 0.00 H new ATOM 0 HD22 LEU A 54 10.244 -3.374 10.003 1.00 0.00 H new ATOM 0 HD23 LEU A 54 11.563 -3.361 11.198 1.00 0.00 H new ATOM 889 N ILE A 55 13.788 -1.782 11.208 1.00 0.00 N ATOM 890 CA ILE A 55 15.088 -2.062 11.801 1.00 0.00 C ATOM 891 C ILE A 55 15.707 -3.010 10.752 1.00 0.00 C ATOM 892 O ILE A 55 14.966 -3.680 10.035 1.00 0.00 O ATOM 893 CB ILE A 55 15.198 -2.718 13.213 1.00 0.00 C ATOM 894 CG1 ILE A 55 13.976 -2.871 14.164 1.00 0.00 C ATOM 895 CG2 ILE A 55 16.392 -2.141 14.003 1.00 0.00 C ATOM 896 CD1 ILE A 55 13.129 -1.675 14.496 1.00 0.00 C ATOM 0 H ILE A 55 13.489 -2.543 10.598 1.00 0.00 H new ATOM 0 HA ILE A 55 15.567 -1.105 12.008 1.00 0.00 H new ATOM 0 HB ILE A 55 15.320 -3.751 12.889 1.00 0.00 H new ATOM 0 HG12 ILE A 55 13.318 -3.623 13.729 1.00 0.00 H new ATOM 0 HG13 ILE A 55 14.346 -3.278 15.105 1.00 0.00 H new ATOM 0 HG21 ILE A 55 16.444 -2.616 14.983 1.00 0.00 H new ATOM 0 HG22 ILE A 55 17.316 -2.332 13.457 1.00 0.00 H new ATOM 0 HG23 ILE A 55 16.260 -1.066 14.128 1.00 0.00 H new ATOM 0 HD11 ILE A 55 12.326 -1.973 15.170 1.00 0.00 H new ATOM 0 HD12 ILE A 55 13.745 -0.916 14.978 1.00 0.00 H new ATOM 0 HD13 ILE A 55 12.701 -1.267 13.580 1.00 0.00 H new ATOM 908 N GLN A 56 17.057 -3.110 10.676 1.00 0.00 N ATOM 909 CA GLN A 56 17.829 -4.050 9.855 1.00 0.00 C ATOM 910 C GLN A 56 18.259 -5.419 10.435 1.00 0.00 C ATOM 911 O GLN A 56 18.155 -6.383 9.678 1.00 0.00 O ATOM 912 CB GLN A 56 19.046 -3.336 9.205 1.00 0.00 C ATOM 913 CG GLN A 56 18.615 -2.324 8.120 1.00 0.00 C ATOM 914 CD GLN A 56 18.072 -3.068 6.896 1.00 0.00 C ATOM 915 OE1 GLN A 56 18.846 -3.591 6.096 1.00 0.00 O ATOM 916 NE2 GLN A 56 16.725 -3.143 6.740 1.00 0.00 N ATOM 0 H GLN A 56 17.663 -2.497 11.221 1.00 0.00 H new ATOM 0 HA GLN A 56 17.075 -4.354 9.129 1.00 0.00 H new ATOM 0 HB2 GLN A 56 19.617 -2.819 9.976 1.00 0.00 H new ATOM 0 HB3 GLN A 56 19.709 -4.080 8.763 1.00 0.00 H new ATOM 0 HG2 GLN A 56 17.852 -1.655 8.518 1.00 0.00 H new ATOM 0 HG3 GLN A 56 19.464 -1.704 7.832 1.00 0.00 H new ATOM 0 HE21 GLN A 56 16.107 -2.699 7.420 1.00 0.00 H new ATOM 0 HE22 GLN A 56 16.331 -3.643 5.943 1.00 0.00 H new ATOM 925 N PRO A 57 18.768 -5.620 11.679 1.00 0.00 N ATOM 926 CA PRO A 57 19.384 -6.883 12.130 1.00 0.00 C ATOM 927 C PRO A 57 18.354 -7.880 12.683 1.00 0.00 C ATOM 928 O PRO A 57 17.230 -7.956 12.212 1.00 0.00 O ATOM 929 CB PRO A 57 20.290 -6.358 13.270 1.00 0.00 C ATOM 930 CG PRO A 57 19.392 -5.308 13.931 1.00 0.00 C ATOM 931 CD PRO A 57 18.905 -4.567 12.685 1.00 0.00 C ATOM 0 HA PRO A 57 19.889 -7.432 11.335 1.00 0.00 H new ATOM 0 HB2 PRO A 57 20.572 -7.149 13.964 1.00 0.00 H new ATOM 0 HB3 PRO A 57 21.214 -5.923 12.890 1.00 0.00 H new ATOM 0 HG2 PRO A 57 18.575 -5.754 14.499 1.00 0.00 H new ATOM 0 HG3 PRO A 57 19.940 -4.660 14.616 1.00 0.00 H new ATOM 0 HD2 PRO A 57 17.956 -4.062 12.866 1.00 0.00 H new ATOM 0 HD3 PRO A 57 19.617 -3.804 12.370 1.00 0.00 H new ATOM 939 N HIS A 58 18.714 -8.613 13.773 1.00 0.00 N ATOM 940 CA HIS A 58 17.927 -9.563 14.564 1.00 0.00 C ATOM 941 C HIS A 58 16.709 -8.965 15.270 1.00 0.00 C ATOM 942 O HIS A 58 15.732 -9.652 15.541 1.00 0.00 O ATOM 943 CB HIS A 58 18.811 -10.322 15.584 1.00 0.00 C ATOM 944 CG HIS A 58 19.936 -11.068 14.920 1.00 0.00 C ATOM 945 ND1 HIS A 58 21.140 -11.329 15.535 1.00 0.00 N ATOM 946 CD2 HIS A 58 19.998 -11.692 13.709 1.00 0.00 C ATOM 947 CE1 HIS A 58 21.870 -12.082 14.675 1.00 0.00 C ATOM 948 NE2 HIS A 58 21.219 -12.326 13.557 1.00 0.00 N ATOM 0 H HIS A 58 19.660 -8.535 14.145 1.00 0.00 H new ATOM 0 HA HIS A 58 17.531 -10.261 13.826 1.00 0.00 H new ATOM 0 HB2 HIS A 58 19.222 -9.614 16.303 1.00 0.00 H new ATOM 0 HB3 HIS A 58 18.194 -11.024 16.145 1.00 0.00 H new ATOM 0 HD2 HIS A 58 19.207 -11.692 12.973 1.00 0.00 H new ATOM 0 HE1 HIS A 58 22.868 -12.439 14.883 1.00 0.00 H new ATOM 0 HE2 HIS A 58 21.544 -12.865 12.754 1.00 0.00 H new ATOM 956 N ASP A 59 16.755 -7.642 15.582 1.00 0.00 N ATOM 957 CA ASP A 59 15.724 -6.837 16.207 1.00 0.00 C ATOM 958 C ASP A 59 14.707 -6.303 15.209 1.00 0.00 C ATOM 959 O ASP A 59 13.776 -5.628 15.621 1.00 0.00 O ATOM 960 CB ASP A 59 16.338 -5.631 16.973 1.00 0.00 C ATOM 961 CG ASP A 59 17.276 -6.142 18.070 1.00 0.00 C ATOM 962 OD1 ASP A 59 16.776 -6.821 19.006 1.00 0.00 O ATOM 963 OD2 ASP A 59 18.501 -5.860 17.985 1.00 0.00 O ATOM 0 H ASP A 59 17.587 -7.088 15.379 1.00 0.00 H new ATOM 0 HA ASP A 59 15.213 -7.504 16.901 1.00 0.00 H new ATOM 0 HB2 ASP A 59 16.885 -4.989 16.282 1.00 0.00 H new ATOM 0 HB3 ASP A 59 15.546 -5.024 17.412 1.00 0.00 H new ATOM 968 N ARG A 60 14.805 -6.615 13.875 1.00 0.00 N ATOM 969 CA ARG A 60 13.898 -6.222 12.765 1.00 0.00 C ATOM 970 C ARG A 60 12.415 -6.378 13.026 1.00 0.00 C ATOM 971 O ARG A 60 11.671 -5.438 12.804 1.00 0.00 O ATOM 972 CB ARG A 60 14.290 -6.803 11.366 1.00 0.00 C ATOM 973 CG ARG A 60 13.883 -8.267 11.065 1.00 0.00 C ATOM 974 CD ARG A 60 14.560 -9.330 11.950 1.00 0.00 C ATOM 975 NE ARG A 60 13.591 -10.453 12.199 1.00 0.00 N ATOM 976 CZ ARG A 60 13.938 -11.628 12.810 1.00 0.00 C ATOM 977 NH1 ARG A 60 15.226 -11.871 13.188 1.00 0.00 N ATOM 978 NH2 ARG A 60 12.978 -12.571 13.042 1.00 0.00 N ATOM 0 H ARG A 60 15.577 -7.188 13.534 1.00 0.00 H new ATOM 0 HA ARG A 60 14.071 -5.146 12.728 1.00 0.00 H new ATOM 0 HB2 ARG A 60 13.848 -6.166 10.600 1.00 0.00 H new ATOM 0 HB3 ARG A 60 15.372 -6.725 11.260 1.00 0.00 H new ATOM 0 HG2 ARG A 60 12.803 -8.358 11.178 1.00 0.00 H new ATOM 0 HG3 ARG A 60 14.114 -8.485 10.022 1.00 0.00 H new ATOM 0 HD2 ARG A 60 15.458 -9.709 11.462 1.00 0.00 H new ATOM 0 HD3 ARG A 60 14.874 -8.888 12.895 1.00 0.00 H new ATOM 0 HE ARG A 60 12.624 -10.333 11.897 1.00 0.00 H new ATOM 0 HH11 ARG A 60 15.948 -11.172 13.017 1.00 0.00 H new ATOM 0 HH12 ARG A 60 15.467 -12.752 13.642 1.00 0.00 H new ATOM 0 HH21 ARG A 60 12.013 -12.397 12.761 1.00 0.00 H new ATOM 0 HH22 ARG A 60 13.226 -13.450 13.497 1.00 0.00 H new ATOM 992 N LYS A 61 11.943 -7.511 13.612 1.00 0.00 N ATOM 993 CA LYS A 61 10.583 -7.698 14.124 1.00 0.00 C ATOM 994 C LYS A 61 10.191 -6.926 15.380 1.00 0.00 C ATOM 995 O LYS A 61 9.019 -6.676 15.643 1.00 0.00 O ATOM 996 CB LYS A 61 9.852 -9.023 13.775 1.00 0.00 C ATOM 997 CG LYS A 61 8.617 -9.468 14.617 1.00 0.00 C ATOM 998 CD LYS A 61 8.934 -10.036 16.010 1.00 0.00 C ATOM 999 CE LYS A 61 7.700 -10.568 16.756 1.00 0.00 C ATOM 1000 NZ LYS A 61 7.090 -11.718 16.048 1.00 0.00 N ATOM 0 H LYS A 61 12.527 -8.338 13.739 1.00 0.00 H new ATOM 0 HA LYS A 61 10.019 -7.081 13.424 1.00 0.00 H new ATOM 0 HB2 LYS A 61 9.530 -8.954 12.736 1.00 0.00 H new ATOM 0 HB3 LYS A 61 10.588 -9.825 13.828 1.00 0.00 H new ATOM 0 HG2 LYS A 61 7.953 -8.612 14.736 1.00 0.00 H new ATOM 0 HG3 LYS A 61 8.068 -10.222 14.053 1.00 0.00 H new ATOM 0 HD2 LYS A 61 9.661 -10.842 15.907 1.00 0.00 H new ATOM 0 HD3 LYS A 61 9.404 -9.258 16.612 1.00 0.00 H new ATOM 0 HE2 LYS A 61 7.985 -10.870 17.764 1.00 0.00 H new ATOM 0 HE3 LYS A 61 6.964 -9.771 16.858 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 6.394 -12.178 16.669 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 6.616 -11.383 15.185 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 7.831 -12.401 15.793 1.00 0.00 H new ATOM 1014 N LYS A 62 11.139 -6.519 16.256 1.00 0.00 N ATOM 1015 CA LYS A 62 10.880 -5.770 17.489 1.00 0.00 C ATOM 1016 C LYS A 62 10.097 -4.439 17.401 1.00 0.00 C ATOM 1017 O LYS A 62 9.465 -4.012 18.363 1.00 0.00 O ATOM 1018 CB LYS A 62 12.197 -5.651 18.312 1.00 0.00 C ATOM 1019 CG LYS A 62 11.998 -5.051 19.713 1.00 0.00 C ATOM 1020 CD LYS A 62 12.553 -3.628 19.925 1.00 0.00 C ATOM 1021 CE LYS A 62 14.082 -3.499 19.828 1.00 0.00 C ATOM 1022 NZ LYS A 62 14.771 -4.379 20.800 1.00 0.00 N ATOM 0 H LYS A 62 12.130 -6.712 16.112 1.00 0.00 H new ATOM 0 HA LYS A 62 10.144 -6.377 18.016 1.00 0.00 H new ATOM 0 HB2 LYS A 62 12.644 -6.640 18.410 1.00 0.00 H new ATOM 0 HB3 LYS A 62 12.906 -5.034 17.760 1.00 0.00 H new ATOM 0 HG2 LYS A 62 10.931 -5.040 19.933 1.00 0.00 H new ATOM 0 HG3 LYS A 62 12.466 -5.714 20.440 1.00 0.00 H new ATOM 0 HD2 LYS A 62 12.101 -2.966 19.187 1.00 0.00 H new ATOM 0 HD3 LYS A 62 12.236 -3.275 20.906 1.00 0.00 H new ATOM 0 HE2 LYS A 62 14.405 -3.751 18.818 1.00 0.00 H new ATOM 0 HE3 LYS A 62 14.371 -2.463 20.006 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 15.791 -4.178 20.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 14.395 -4.204 21.754 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 14.611 -5.374 20.542 1.00 0.00 H new ATOM 1036 N MET A 63 10.035 -3.796 16.211 1.00 0.00 N ATOM 1037 CA MET A 63 9.130 -2.675 15.993 1.00 0.00 C ATOM 1038 C MET A 63 8.061 -3.008 14.971 1.00 0.00 C ATOM 1039 O MET A 63 7.224 -2.165 14.665 1.00 0.00 O ATOM 1040 CB MET A 63 9.783 -1.277 15.838 1.00 0.00 C ATOM 1041 CG MET A 63 10.377 -0.785 17.180 1.00 0.00 C ATOM 1042 SD MET A 63 10.707 1.003 17.275 1.00 0.00 S ATOM 1043 CE MET A 63 11.937 1.097 15.949 1.00 0.00 C ATOM 0 H MET A 63 10.603 -4.043 15.400 1.00 0.00 H new ATOM 0 HA MET A 63 8.616 -2.542 16.945 1.00 0.00 H new ATOM 0 HB2 MET A 63 10.569 -1.321 15.084 1.00 0.00 H new ATOM 0 HB3 MET A 63 9.040 -0.563 15.483 1.00 0.00 H new ATOM 0 HG2 MET A 63 9.691 -1.054 17.983 1.00 0.00 H new ATOM 0 HG3 MET A 63 11.309 -1.320 17.364 1.00 0.00 H new ATOM 0 HE1 MET A 63 12.263 2.130 15.828 1.00 0.00 H new ATOM 0 HE2 MET A 63 12.794 0.473 16.203 1.00 0.00 H new ATOM 0 HE3 MET A 63 11.495 0.745 15.017 1.00 0.00 H new ATOM 1053 N LYS A 64 7.972 -4.294 14.483 1.00 0.00 N ATOM 1054 CA LYS A 64 6.889 -4.817 13.637 1.00 0.00 C ATOM 1055 C LYS A 64 5.604 -4.984 14.455 1.00 0.00 C ATOM 1056 O LYS A 64 4.502 -4.681 13.996 1.00 0.00 O ATOM 1057 CB LYS A 64 7.326 -6.131 12.904 1.00 0.00 C ATOM 1058 CG LYS A 64 6.289 -7.261 12.811 1.00 0.00 C ATOM 1059 CD LYS A 64 6.614 -8.383 11.815 1.00 0.00 C ATOM 1060 CE LYS A 64 5.626 -9.559 11.861 1.00 0.00 C ATOM 1061 NZ LYS A 64 4.256 -9.135 11.496 1.00 0.00 N ATOM 0 H LYS A 64 8.683 -4.997 14.686 1.00 0.00 H new ATOM 0 HA LYS A 64 6.672 -4.092 12.852 1.00 0.00 H new ATOM 0 HB2 LYS A 64 7.630 -5.868 11.891 1.00 0.00 H new ATOM 0 HB3 LYS A 64 8.208 -6.523 13.410 1.00 0.00 H new ATOM 0 HG2 LYS A 64 6.170 -7.702 13.801 1.00 0.00 H new ATOM 0 HG3 LYS A 64 5.328 -6.825 12.538 1.00 0.00 H new ATOM 0 HD2 LYS A 64 6.625 -7.969 10.807 1.00 0.00 H new ATOM 0 HD3 LYS A 64 7.618 -8.756 12.017 1.00 0.00 H new ATOM 0 HE2 LYS A 64 5.959 -10.341 11.179 1.00 0.00 H new ATOM 0 HE3 LYS A 64 5.619 -9.990 12.862 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 3.765 -9.919 11.020 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 3.734 -8.871 12.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.305 -8.317 10.856 1.00 0.00 H new ATOM 1075 N LYS A 65 5.762 -5.429 15.733 1.00 0.00 N ATOM 1076 CA LYS A 65 4.673 -5.577 16.711 1.00 0.00 C ATOM 1077 C LYS A 65 3.951 -4.255 17.139 1.00 0.00 C ATOM 1078 O LYS A 65 2.721 -4.178 17.177 1.00 0.00 O ATOM 1079 CB LYS A 65 5.077 -6.452 17.930 1.00 0.00 C ATOM 1080 CG LYS A 65 6.310 -6.011 18.737 1.00 0.00 C ATOM 1081 CD LYS A 65 6.451 -6.862 20.013 1.00 0.00 C ATOM 1082 CE LYS A 65 7.684 -6.541 20.866 1.00 0.00 C ATOM 1083 NZ LYS A 65 8.923 -7.029 20.221 1.00 0.00 N ATOM 0 H LYS A 65 6.672 -5.697 16.108 1.00 0.00 H new ATOM 0 HA LYS A 65 3.908 -6.118 16.154 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.227 -6.496 18.610 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.253 -7.467 17.573 1.00 0.00 H new ATOM 0 HG2 LYS A 65 7.207 -6.110 18.126 1.00 0.00 H new ATOM 0 HG3 LYS A 65 6.220 -4.958 19.003 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.559 -6.726 20.624 1.00 0.00 H new ATOM 0 HD3 LYS A 65 6.486 -7.914 19.729 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.752 -5.464 21.021 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.578 -6.999 21.849 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.697 -6.359 20.405 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 9.172 -7.961 20.609 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.772 -7.110 19.195 1.00 0.00 H new ATOM 1097 N VAL A 66 4.728 -3.147 17.390 1.00 0.00 N ATOM 1098 CA VAL A 66 4.262 -1.766 17.654 1.00 0.00 C ATOM 1099 C VAL A 66 3.754 -1.085 16.388 1.00 0.00 C ATOM 1100 O VAL A 66 2.831 -0.274 16.459 1.00 0.00 O ATOM 1101 CB VAL A 66 5.099 -0.863 18.593 1.00 0.00 C ATOM 1102 CG1 VAL A 66 6.588 -0.812 18.219 1.00 0.00 C ATOM 1103 CG2 VAL A 66 4.501 0.571 18.721 1.00 0.00 C ATOM 0 H VAL A 66 5.746 -3.212 17.411 1.00 0.00 H new ATOM 0 HA VAL A 66 3.408 -1.926 18.312 1.00 0.00 H new ATOM 0 HB VAL A 66 5.041 -1.335 19.574 1.00 0.00 H new ATOM 0 HG11 VAL A 66 7.116 -0.162 18.917 1.00 0.00 H new ATOM 0 HG12 VAL A 66 7.010 -1.816 18.268 1.00 0.00 H new ATOM 0 HG13 VAL A 66 6.696 -0.422 17.207 1.00 0.00 H new ATOM 0 HG21 VAL A 66 5.123 1.166 19.390 1.00 0.00 H new ATOM 0 HG22 VAL A 66 4.471 1.042 17.738 1.00 0.00 H new ATOM 0 HG23 VAL A 66 3.490 0.509 19.125 1.00 0.00 H new ATOM 1113 N TRP A 67 4.293 -1.408 15.169 1.00 0.00 N ATOM 1114 CA TRP A 67 3.823 -0.915 13.859 1.00 0.00 C ATOM 1115 C TRP A 67 2.309 -1.092 13.602 1.00 0.00 C ATOM 1116 O TRP A 67 1.684 -0.168 13.104 1.00 0.00 O ATOM 1117 CB TRP A 67 4.702 -1.462 12.686 1.00 0.00 C ATOM 1118 CG TRP A 67 4.223 -1.210 11.255 1.00 0.00 C ATOM 1119 CD1 TRP A 67 3.638 -2.141 10.459 1.00 0.00 C ATOM 1120 CD2 TRP A 67 4.000 0.053 10.602 1.00 0.00 C ATOM 1121 NE1 TRP A 67 3.215 -1.582 9.285 1.00 0.00 N ATOM 1122 CE2 TRP A 67 3.441 -0.230 9.351 1.00 0.00 C ATOM 1123 CE3 TRP A 67 4.171 1.339 11.029 1.00 0.00 C ATOM 1124 CZ2 TRP A 67 3.092 0.762 8.486 1.00 0.00 C ATOM 1125 CZ3 TRP A 67 3.676 2.329 10.206 1.00 0.00 C ATOM 1126 CH2 TRP A 67 3.160 2.050 8.955 1.00 0.00 C ATOM 0 H TRP A 67 5.090 -2.039 15.084 1.00 0.00 H new ATOM 0 HA TRP A 67 3.957 0.166 13.898 1.00 0.00 H new ATOM 0 HB2 TRP A 67 5.698 -1.032 12.786 1.00 0.00 H new ATOM 0 HB3 TRP A 67 4.805 -2.539 12.819 1.00 0.00 H new ATOM 0 HD1 TRP A 67 3.522 -3.183 10.718 1.00 0.00 H new ATOM 0 HE1 TRP A 67 2.803 -2.083 8.497 1.00 0.00 H new ATOM 0 HE3 TRP A 67 4.667 1.568 11.961 1.00 0.00 H new ATOM 0 HZ2 TRP A 67 2.776 0.545 7.476 1.00 0.00 H new ATOM 0 HZ3 TRP A 67 3.692 3.353 10.550 1.00 0.00 H new ATOM 0 HH2 TRP A 67 2.804 2.860 8.335 1.00 0.00 H new ATOM 1137 N ASP A 68 1.679 -2.215 14.066 1.00 0.00 N ATOM 1138 CA ASP A 68 0.233 -2.510 14.076 1.00 0.00 C ATOM 1139 C ASP A 68 -0.622 -1.427 14.776 1.00 0.00 C ATOM 1140 O ASP A 68 -1.687 -1.036 14.309 1.00 0.00 O ATOM 1141 CB ASP A 68 0.019 -3.896 14.760 1.00 0.00 C ATOM 1142 CG ASP A 68 -1.369 -4.503 14.504 1.00 0.00 C ATOM 1143 OD1 ASP A 68 -1.696 -4.745 13.312 1.00 0.00 O ATOM 1144 OD2 ASP A 68 -2.109 -4.729 15.498 1.00 0.00 O ATOM 0 H ASP A 68 2.217 -2.983 14.468 1.00 0.00 H new ATOM 0 HA ASP A 68 -0.107 -2.524 13.040 1.00 0.00 H new ATOM 0 HB2 ASP A 68 0.781 -4.589 14.403 1.00 0.00 H new ATOM 0 HB3 ASP A 68 0.166 -3.788 15.835 1.00 0.00 H new ATOM 1149 N ARG A 69 -0.073 -0.865 15.888 1.00 0.00 N ATOM 1150 CA ARG A 69 -0.513 0.340 16.580 1.00 0.00 C ATOM 1151 C ARG A 69 -0.078 1.615 15.844 1.00 0.00 C ATOM 1152 O ARG A 69 -0.931 2.425 15.507 1.00 0.00 O ATOM 1153 CB ARG A 69 -0.060 0.291 18.064 1.00 0.00 C ATOM 1154 CG ARG A 69 -0.349 1.519 18.957 1.00 0.00 C ATOM 1155 CD ARG A 69 -1.796 2.046 18.939 1.00 0.00 C ATOM 1156 NE ARG A 69 -2.744 0.941 19.315 1.00 0.00 N ATOM 1157 CZ ARG A 69 -4.100 1.039 19.147 1.00 0.00 C ATOM 1158 NH1 ARG A 69 -4.661 2.169 18.627 1.00 0.00 N ATOM 1159 NH2 ARG A 69 -4.899 -0.006 19.509 1.00 0.00 N ATOM 0 H ARG A 69 0.741 -1.283 16.340 1.00 0.00 H new ATOM 0 HA ARG A 69 -1.602 0.374 16.578 1.00 0.00 H new ATOM 0 HB2 ARG A 69 -0.531 -0.576 18.527 1.00 0.00 H new ATOM 0 HB3 ARG A 69 1.016 0.115 18.078 1.00 0.00 H new ATOM 0 HG2 ARG A 69 -0.090 1.264 19.985 1.00 0.00 H new ATOM 0 HG3 ARG A 69 0.314 2.328 18.652 1.00 0.00 H new ATOM 0 HD2 ARG A 69 -1.898 2.878 19.635 1.00 0.00 H new ATOM 0 HD3 ARG A 69 -2.042 2.427 17.948 1.00 0.00 H new ATOM 0 HE ARG A 69 -2.361 0.083 19.712 1.00 0.00 H new ATOM 0 HH11 ARG A 69 -4.069 2.955 18.358 1.00 0.00 H new ATOM 0 HH12 ARG A 69 -5.672 2.228 18.508 1.00 0.00 H new ATOM 0 HH21 ARG A 69 -4.486 -0.852 19.901 1.00 0.00 H new ATOM 0 HH22 ARG A 69 -5.910 0.059 19.387 1.00 0.00 H new ATOM 1173 N ALA A 70 1.240 1.822 15.510 1.00 0.00 N ATOM 1174 CA ALA A 70 1.799 2.994 14.793 1.00 0.00 C ATOM 1175 C ALA A 70 1.145 3.384 13.447 1.00 0.00 C ATOM 1176 O ALA A 70 1.027 4.561 13.095 1.00 0.00 O ATOM 1177 CB ALA A 70 3.325 2.924 14.679 1.00 0.00 C ATOM 0 H ALA A 70 1.961 1.141 15.749 1.00 0.00 H new ATOM 0 HA ALA A 70 1.521 3.821 15.447 1.00 0.00 H new ATOM 0 HB1 ALA A 70 3.691 3.802 14.147 1.00 0.00 H new ATOM 0 HB2 ALA A 70 3.763 2.895 15.677 1.00 0.00 H new ATOM 0 HB3 ALA A 70 3.608 2.025 14.132 1.00 0.00 H new ATOM 1183 N VAL A 71 0.643 2.328 12.733 1.00 0.00 N ATOM 1184 CA VAL A 71 -0.239 2.260 11.562 1.00 0.00 C ATOM 1185 C VAL A 71 -1.553 3.003 11.732 1.00 0.00 C ATOM 1186 O VAL A 71 -2.051 3.554 10.757 1.00 0.00 O ATOM 1187 CB VAL A 71 -0.540 0.792 11.209 1.00 0.00 C ATOM 1188 CG1 VAL A 71 -1.711 0.489 10.265 1.00 0.00 C ATOM 1189 CG2 VAL A 71 0.646 0.256 10.431 1.00 0.00 C ATOM 0 H VAL A 71 0.894 1.383 13.022 1.00 0.00 H new ATOM 0 HA VAL A 71 0.305 2.755 10.757 1.00 0.00 H new ATOM 0 HB VAL A 71 -0.772 0.357 12.181 1.00 0.00 H new ATOM 0 HG11 VAL A 71 -1.790 -0.588 10.117 1.00 0.00 H new ATOM 0 HG12 VAL A 71 -2.637 0.864 10.701 1.00 0.00 H new ATOM 0 HG13 VAL A 71 -1.539 0.975 9.305 1.00 0.00 H new ATOM 0 HG21 VAL A 71 0.465 -0.785 10.164 1.00 0.00 H new ATOM 0 HG22 VAL A 71 0.782 0.845 9.524 1.00 0.00 H new ATOM 0 HG23 VAL A 71 1.544 0.323 11.045 1.00 0.00 H new ATOM 1199 N ASP A 72 -2.149 3.081 12.967 1.00 0.00 N ATOM 1200 CA ASP A 72 -3.409 3.770 13.290 1.00 0.00 C ATOM 1201 C ASP A 72 -3.334 5.293 13.030 1.00 0.00 C ATOM 1202 O ASP A 72 -4.150 5.833 12.288 1.00 0.00 O ATOM 1203 CB ASP A 72 -3.906 3.325 14.710 1.00 0.00 C ATOM 1204 CG ASP A 72 -5.228 3.957 15.162 1.00 0.00 C ATOM 1205 OD1 ASP A 72 -6.252 3.755 14.456 1.00 0.00 O ATOM 1206 OD2 ASP A 72 -5.228 4.646 16.216 1.00 0.00 O ATOM 0 H ASP A 72 -1.732 2.641 13.787 1.00 0.00 H new ATOM 0 HA ASP A 72 -4.193 3.459 12.599 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -4.018 2.241 14.716 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -3.135 3.569 15.441 1.00 0.00 H new ATOM 1211 N PHE A 73 -2.263 5.985 13.532 1.00 0.00 N ATOM 1212 CA PHE A 73 -1.901 7.378 13.217 1.00 0.00 C ATOM 1213 C PHE A 73 -1.562 7.610 11.715 1.00 0.00 C ATOM 1214 O PHE A 73 -2.152 8.481 11.074 1.00 0.00 O ATOM 1215 CB PHE A 73 -0.738 7.812 14.178 1.00 0.00 C ATOM 1216 CG PHE A 73 -0.094 9.166 13.902 1.00 0.00 C ATOM 1217 CD1 PHE A 73 -0.885 10.288 13.720 1.00 0.00 C ATOM 1218 CD2 PHE A 73 1.280 9.300 13.758 1.00 0.00 C ATOM 1219 CE1 PHE A 73 -0.329 11.513 13.415 1.00 0.00 C ATOM 1220 CE2 PHE A 73 1.834 10.516 13.416 1.00 0.00 C ATOM 1221 CZ PHE A 73 1.034 11.630 13.261 1.00 0.00 C ATOM 0 H PHE A 73 -1.613 5.557 14.191 1.00 0.00 H new ATOM 0 HA PHE A 73 -2.771 8.013 13.386 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -1.123 7.820 15.198 1.00 0.00 H new ATOM 0 HB3 PHE A 73 0.040 7.050 14.137 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -1.957 10.202 13.819 1.00 0.00 H new ATOM 0 HD2 PHE A 73 1.921 8.445 13.915 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -0.963 12.380 13.297 1.00 0.00 H new ATOM 0 HE2 PHE A 73 2.901 10.597 13.269 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.474 12.587 13.021 1.00 0.00 H new ATOM 1231 N LEU A 74 -0.611 6.819 11.119 1.00 0.00 N ATOM 1232 CA LEU A 74 -0.196 6.945 9.698 1.00 0.00 C ATOM 1233 C LEU A 74 -1.259 6.603 8.645 1.00 0.00 C ATOM 1234 O LEU A 74 -1.475 7.389 7.720 1.00 0.00 O ATOM 1235 CB LEU A 74 1.126 6.183 9.408 1.00 0.00 C ATOM 1236 CG LEU A 74 1.948 6.823 8.268 1.00 0.00 C ATOM 1237 CD1 LEU A 74 2.639 8.111 8.748 1.00 0.00 C ATOM 1238 CD2 LEU A 74 2.975 5.843 7.697 1.00 0.00 C ATOM 0 H LEU A 74 -0.117 6.080 11.619 1.00 0.00 H new ATOM 0 HA LEU A 74 -0.034 8.017 9.586 1.00 0.00 H new ATOM 0 HB2 LEU A 74 1.731 6.156 10.315 1.00 0.00 H new ATOM 0 HB3 LEU A 74 0.895 5.150 9.148 1.00 0.00 H new ATOM 0 HG LEU A 74 1.253 7.080 7.468 1.00 0.00 H new ATOM 0 HD11 LEU A 74 3.212 8.544 7.928 1.00 0.00 H new ATOM 0 HD12 LEU A 74 1.886 8.825 9.081 1.00 0.00 H new ATOM 0 HD13 LEU A 74 3.309 7.878 9.575 1.00 0.00 H new ATOM 0 HD21 LEU A 74 3.535 6.328 6.897 1.00 0.00 H new ATOM 0 HD22 LEU A 74 3.662 5.535 8.486 1.00 0.00 H new ATOM 0 HD23 LEU A 74 2.461 4.967 7.301 1.00 0.00 H new ATOM 1250 N ALA A 75 -2.005 5.457 8.759 1.00 0.00 N ATOM 1251 CA ALA A 75 -3.100 5.101 7.857 1.00 0.00 C ATOM 1252 C ALA A 75 -4.337 6.035 7.841 1.00 0.00 C ATOM 1253 O ALA A 75 -5.077 6.038 6.858 1.00 0.00 O ATOM 1254 CB ALA A 75 -3.540 3.642 8.086 1.00 0.00 C ATOM 0 H ALA A 75 -1.845 4.765 9.491 1.00 0.00 H new ATOM 0 HA ALA A 75 -2.661 5.233 6.868 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -4.355 3.397 7.405 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.699 2.975 7.900 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -3.878 3.521 9.115 1.00 0.00 H new ATOM 1260 N ALA A 76 -4.539 6.891 8.899 1.00 0.00 N ATOM 1261 CA ALA A 76 -5.578 7.903 8.989 1.00 0.00 C ATOM 1262 C ALA A 76 -5.121 9.263 8.433 1.00 0.00 C ATOM 1263 O ALA A 76 -5.827 10.261 8.557 1.00 0.00 O ATOM 1264 CB ALA A 76 -5.998 8.053 10.470 1.00 0.00 C ATOM 0 H ALA A 76 -3.945 6.870 9.728 1.00 0.00 H new ATOM 0 HA ALA A 76 -6.422 7.579 8.380 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -6.778 8.810 10.552 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -6.377 7.100 10.839 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.135 8.355 11.064 1.00 0.00 H new ATOM 1270 N ASN A 77 -3.913 9.320 7.812 1.00 0.00 N ATOM 1271 CA ASN A 77 -3.294 10.504 7.236 1.00 0.00 C ATOM 1272 C ASN A 77 -2.706 10.226 5.848 1.00 0.00 C ATOM 1273 O ASN A 77 -2.876 11.036 4.937 1.00 0.00 O ATOM 1274 CB ASN A 77 -2.175 11.059 8.165 1.00 0.00 C ATOM 1275 CG ASN A 77 -2.783 11.723 9.405 1.00 0.00 C ATOM 1276 OD1 ASN A 77 -3.414 12.775 9.294 1.00 0.00 O ATOM 1277 ND2 ASN A 77 -2.558 11.142 10.608 1.00 0.00 N ATOM 0 H ASN A 77 -3.330 8.490 7.704 1.00 0.00 H new ATOM 0 HA ASN A 77 -4.083 11.249 7.134 1.00 0.00 H new ATOM 0 HB2 ASN A 77 -1.512 10.249 8.468 1.00 0.00 H new ATOM 0 HB3 ASN A 77 -1.568 11.782 7.620 1.00 0.00 H new ATOM 0 HD21 ASN A 77 -2.915 11.576 11.459 1.00 0.00 H new ATOM 0 HD22 ASN A 77 -2.031 10.270 10.663 1.00 0.00 H new ATOM 1284 N GLU A 78 -1.963 9.101 5.657 1.00 0.00 N ATOM 1285 CA GLU A 78 -1.297 8.783 4.392 1.00 0.00 C ATOM 1286 C GLU A 78 -1.543 7.334 3.986 1.00 0.00 C ATOM 1287 O GLU A 78 -0.736 6.447 4.249 1.00 0.00 O ATOM 1288 CB GLU A 78 0.231 9.085 4.469 1.00 0.00 C ATOM 1289 CG GLU A 78 0.987 8.997 3.127 1.00 0.00 C ATOM 1290 CD GLU A 78 2.460 9.346 3.343 1.00 0.00 C ATOM 1291 OE1 GLU A 78 2.746 10.522 3.693 1.00 0.00 O ATOM 1292 OE2 GLU A 78 3.319 8.442 3.159 1.00 0.00 O ATOM 0 H GLU A 78 -1.818 8.399 6.383 1.00 0.00 H new ATOM 0 HA GLU A 78 -1.729 9.424 3.624 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.367 10.086 4.879 1.00 0.00 H new ATOM 0 HB3 GLU A 78 0.688 8.388 5.171 1.00 0.00 H new ATOM 0 HG2 GLU A 78 0.898 7.993 2.713 1.00 0.00 H new ATOM 0 HG3 GLU A 78 0.543 9.680 2.403 1.00 0.00 H new ATOM 1299 N SER A 79 -2.672 7.060 3.287 1.00 0.00 N ATOM 1300 CA SER A 79 -3.057 5.733 2.809 1.00 0.00 C ATOM 1301 C SER A 79 -3.193 5.763 1.301 1.00 0.00 C ATOM 1302 O SER A 79 -4.281 5.573 0.768 1.00 0.00 O ATOM 1303 CB SER A 79 -4.380 5.221 3.454 1.00 0.00 C ATOM 1304 OG SER A 79 -4.124 4.730 4.768 1.00 0.00 O ATOM 0 H SER A 79 -3.349 7.782 3.040 1.00 0.00 H new ATOM 0 HA SER A 79 -2.272 5.037 3.105 1.00 0.00 H new ATOM 0 HB2 SER A 79 -5.111 6.029 3.495 1.00 0.00 H new ATOM 0 HB3 SER A 79 -4.812 4.431 2.839 1.00 0.00 H new ATOM 0 HG SER A 79 -4.486 5.358 5.428 1.00 0.00 H new ATOM 1310 N ARG A 80 -2.059 5.983 0.581 1.00 0.00 N ATOM 1311 CA ARG A 80 -1.918 6.027 -0.875 1.00 0.00 C ATOM 1312 C ARG A 80 -1.670 4.629 -1.427 1.00 0.00 C ATOM 1313 O ARG A 80 -2.388 4.171 -2.317 1.00 0.00 O ATOM 1314 CB ARG A 80 -0.834 7.091 -1.266 1.00 0.00 C ATOM 1315 CG ARG A 80 0.600 6.871 -0.731 1.00 0.00 C ATOM 1316 CD ARG A 80 1.495 8.100 -0.969 1.00 0.00 C ATOM 1317 NE ARG A 80 2.858 7.850 -0.379 1.00 0.00 N ATOM 1318 CZ ARG A 80 3.861 8.785 -0.403 1.00 0.00 C ATOM 1319 NH1 ARG A 80 3.653 10.020 -0.945 1.00 0.00 N ATOM 1320 NH2 ARG A 80 5.086 8.475 0.114 1.00 0.00 N ATOM 0 H ARG A 80 -1.167 6.144 1.048 1.00 0.00 H new ATOM 0 HA ARG A 80 -2.845 6.357 -1.344 1.00 0.00 H new ATOM 0 HB2 ARG A 80 -0.785 7.138 -2.354 1.00 0.00 H new ATOM 0 HB3 ARG A 80 -1.178 8.066 -0.920 1.00 0.00 H new ATOM 0 HG2 ARG A 80 0.560 6.652 0.336 1.00 0.00 H new ATOM 0 HG3 ARG A 80 1.040 6.001 -1.219 1.00 0.00 H new ATOM 0 HD2 ARG A 80 1.580 8.300 -2.037 1.00 0.00 H new ATOM 0 HD3 ARG A 80 1.047 8.983 -0.514 1.00 0.00 H new ATOM 0 HE ARG A 80 3.043 6.947 0.057 1.00 0.00 H new ATOM 0 HH11 ARG A 80 2.743 10.257 -1.339 1.00 0.00 H new ATOM 0 HH12 ARG A 80 4.408 10.706 -0.956 1.00 0.00 H new ATOM 0 HH21 ARG A 80 5.251 7.552 0.515 1.00 0.00 H new ATOM 0 HH22 ARG A 80 5.836 9.166 0.099 1.00 0.00 H new ATOM 1334 N VAL A 81 -0.671 3.891 -0.846 1.00 0.00 N ATOM 1335 CA VAL A 81 -0.299 2.468 -1.042 1.00 0.00 C ATOM 1336 C VAL A 81 -1.471 1.626 -0.449 1.00 0.00 C ATOM 1337 O VAL A 81 -1.884 1.833 0.694 1.00 0.00 O ATOM 1338 CB VAL A 81 1.157 2.152 -0.580 1.00 0.00 C ATOM 1339 CG1 VAL A 81 1.280 0.872 0.280 1.00 0.00 C ATOM 1340 CG2 VAL A 81 2.082 2.015 -1.820 1.00 0.00 C ATOM 0 H VAL A 81 -0.052 4.330 -0.164 1.00 0.00 H new ATOM 0 HA VAL A 81 -0.210 2.187 -2.091 1.00 0.00 H new ATOM 0 HB VAL A 81 1.460 2.988 0.051 1.00 0.00 H new ATOM 0 HG11 VAL A 81 2.322 0.721 0.561 1.00 0.00 H new ATOM 0 HG12 VAL A 81 0.673 0.978 1.179 1.00 0.00 H new ATOM 0 HG13 VAL A 81 0.931 0.013 -0.294 1.00 0.00 H new ATOM 0 HG21 VAL A 81 3.098 1.794 -1.493 1.00 0.00 H new ATOM 0 HG22 VAL A 81 1.721 1.206 -2.455 1.00 0.00 H new ATOM 0 HG23 VAL A 81 2.077 2.948 -2.383 1.00 0.00 H new ATOM 1350 N ARG A 82 -2.143 0.804 -1.309 1.00 0.00 N ATOM 1351 CA ARG A 82 -3.478 0.264 -1.071 1.00 0.00 C ATOM 1352 C ARG A 82 -3.537 -1.237 -0.837 1.00 0.00 C ATOM 1353 O ARG A 82 -2.803 -1.989 -1.478 1.00 0.00 O ATOM 1354 CB ARG A 82 -4.325 0.670 -2.318 1.00 0.00 C ATOM 1355 CG ARG A 82 -5.829 0.336 -2.304 1.00 0.00 C ATOM 1356 CD ARG A 82 -6.182 -0.871 -3.194 1.00 0.00 C ATOM 1357 NE ARG A 82 -7.647 -1.175 -3.034 1.00 0.00 N ATOM 1358 CZ ARG A 82 -8.278 -2.186 -3.709 1.00 0.00 C ATOM 1359 NH1 ARG A 82 -7.607 -2.946 -4.621 1.00 0.00 N ATOM 1360 NH2 ARG A 82 -9.597 -2.436 -3.463 1.00 0.00 N ATOM 0 H ARG A 82 -1.746 0.504 -2.200 1.00 0.00 H new ATOM 0 HA ARG A 82 -3.863 0.676 -0.138 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -4.222 1.746 -2.457 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -3.884 0.192 -3.193 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -6.141 0.130 -1.280 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -6.393 1.206 -2.640 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -5.953 -0.652 -4.237 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -5.583 -1.737 -2.912 1.00 0.00 H new ATOM 0 HE ARG A 82 -8.196 -0.602 -2.393 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -6.621 -2.765 -4.809 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -8.091 -3.695 -5.115 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -10.104 -1.872 -2.781 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -10.075 -3.187 -3.961 1.00 0.00 H new ATOM 1374 N THR A 83 -4.455 -1.679 0.085 1.00 0.00 N ATOM 1375 CA THR A 83 -4.740 -3.057 0.496 1.00 0.00 C ATOM 1376 C THR A 83 -5.743 -3.761 -0.404 1.00 0.00 C ATOM 1377 O THR A 83 -6.906 -3.366 -0.504 1.00 0.00 O ATOM 1378 CB THR A 83 -5.319 -3.174 1.915 1.00 0.00 C ATOM 1379 OG1 THR A 83 -4.658 -2.289 2.804 1.00 0.00 O ATOM 1380 CG2 THR A 83 -5.112 -4.601 2.454 1.00 0.00 C ATOM 0 H THR A 83 -5.047 -1.015 0.584 1.00 0.00 H new ATOM 0 HA THR A 83 -3.757 -3.525 0.437 1.00 0.00 H new ATOM 0 HB THR A 83 -6.379 -2.928 1.857 1.00 0.00 H new ATOM 0 HG1 THR A 83 -3.689 -2.355 2.671 1.00 0.00 H new ATOM 0 HG21 THR A 83 -5.526 -4.674 3.460 1.00 0.00 H new ATOM 0 HG22 THR A 83 -5.617 -5.313 1.802 1.00 0.00 H new ATOM 0 HG23 THR A 83 -4.046 -4.828 2.483 1.00 0.00 H new ATOM 1388 N GLU A 84 -5.331 -4.873 -1.040 1.00 0.00 N ATOM 1389 CA GLU A 84 -6.174 -5.690 -1.891 1.00 0.00 C ATOM 1390 C GLU A 84 -6.207 -7.086 -1.306 1.00 0.00 C ATOM 1391 O GLU A 84 -5.221 -7.509 -0.699 1.00 0.00 O ATOM 1392 CB GLU A 84 -5.579 -5.708 -3.332 1.00 0.00 C ATOM 1393 CG GLU A 84 -6.435 -6.469 -4.364 1.00 0.00 C ATOM 1394 CD GLU A 84 -5.893 -6.239 -5.773 1.00 0.00 C ATOM 1395 OE1 GLU A 84 -4.778 -6.744 -6.067 1.00 0.00 O ATOM 1396 OE2 GLU A 84 -6.591 -5.565 -6.577 1.00 0.00 O ATOM 0 H GLU A 84 -4.377 -5.225 -0.966 1.00 0.00 H new ATOM 0 HA GLU A 84 -7.187 -5.292 -1.944 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -5.450 -4.680 -3.672 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -4.587 -6.159 -3.297 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -6.431 -7.535 -4.135 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -7.471 -6.134 -4.306 1.00 0.00 H new ATOM 1403 N THR A 85 -7.323 -7.850 -1.507 1.00 0.00 N ATOM 1404 CA THR A 85 -7.426 -9.262 -1.149 1.00 0.00 C ATOM 1405 C THR A 85 -7.027 -10.036 -2.410 1.00 0.00 C ATOM 1406 O THR A 85 -7.727 -10.011 -3.424 1.00 0.00 O ATOM 1407 CB THR A 85 -8.823 -9.677 -0.678 1.00 0.00 C ATOM 1408 OG1 THR A 85 -9.414 -8.661 0.125 1.00 0.00 O ATOM 1409 CG2 THR A 85 -8.688 -10.923 0.210 1.00 0.00 C ATOM 0 H THR A 85 -8.175 -7.479 -1.928 1.00 0.00 H new ATOM 0 HA THR A 85 -6.777 -9.475 -0.300 1.00 0.00 H new ATOM 0 HB THR A 85 -9.440 -9.860 -1.558 1.00 0.00 H new ATOM 0 HG1 THR A 85 -10.306 -8.948 0.412 1.00 0.00 H new ATOM 0 HG21 THR A 85 -9.675 -11.233 0.555 1.00 0.00 H new ATOM 0 HG22 THR A 85 -8.234 -11.731 -0.363 1.00 0.00 H new ATOM 0 HG23 THR A 85 -8.060 -10.691 1.070 1.00 0.00 H new ATOM 1417 N ARG A 86 -5.853 -10.708 -2.396 1.00 0.00 N ATOM 1418 CA ARG A 86 -5.272 -11.326 -3.569 1.00 0.00 C ATOM 1419 C ARG A 86 -4.715 -12.691 -3.224 1.00 0.00 C ATOM 1420 O ARG A 86 -4.188 -12.911 -2.136 1.00 0.00 O ATOM 1421 CB ARG A 86 -4.198 -10.339 -4.073 1.00 0.00 C ATOM 1422 CG ARG A 86 -3.651 -10.561 -5.489 1.00 0.00 C ATOM 1423 CD ARG A 86 -2.377 -11.411 -5.542 1.00 0.00 C ATOM 1424 NE ARG A 86 -1.777 -11.364 -6.921 1.00 0.00 N ATOM 1425 CZ ARG A 86 -2.162 -12.174 -7.958 1.00 0.00 C ATOM 1426 NH1 ARG A 86 -3.141 -13.111 -7.799 1.00 0.00 N ATOM 1427 NH2 ARG A 86 -1.552 -12.035 -9.171 1.00 0.00 N ATOM 0 H ARG A 86 -5.291 -10.827 -1.553 1.00 0.00 H new ATOM 0 HA ARG A 86 -6.004 -11.508 -4.356 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -4.615 -9.333 -4.026 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -3.359 -10.369 -3.378 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -4.421 -11.041 -6.093 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -3.447 -9.592 -5.944 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -1.656 -11.044 -4.811 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -2.608 -12.442 -5.273 1.00 0.00 H new ATOM 0 HE ARG A 86 -1.036 -10.685 -7.096 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -3.602 -13.219 -6.895 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -3.412 -13.703 -8.584 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -0.820 -11.336 -9.297 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -1.828 -12.631 -9.952 1.00 0.00 H new ATOM 1441 N ARG A 87 -4.816 -13.677 -4.156 1.00 0.00 N ATOM 1442 CA ARG A 87 -4.345 -15.052 -3.982 1.00 0.00 C ATOM 1443 C ARG A 87 -2.849 -15.233 -4.270 1.00 0.00 C ATOM 1444 O ARG A 87 -2.420 -15.096 -5.413 1.00 0.00 O ATOM 1445 CB ARG A 87 -5.147 -16.042 -4.866 1.00 0.00 C ATOM 1446 CG ARG A 87 -4.924 -17.537 -4.527 1.00 0.00 C ATOM 1447 CD ARG A 87 -5.418 -18.513 -5.613 1.00 0.00 C ATOM 1448 NE ARG A 87 -4.758 -18.217 -6.938 1.00 0.00 N ATOM 1449 CZ ARG A 87 -3.474 -18.563 -7.269 1.00 0.00 C ATOM 1450 NH1 ARG A 87 -2.675 -19.250 -6.403 1.00 0.00 N ATOM 1451 NH2 ARG A 87 -2.984 -18.207 -8.494 1.00 0.00 N ATOM 0 H ARG A 87 -5.241 -13.519 -5.070 1.00 0.00 H new ATOM 0 HA ARG A 87 -4.509 -15.272 -2.927 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -6.209 -15.816 -4.770 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -4.879 -15.876 -5.909 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -3.860 -17.705 -4.360 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -5.433 -17.765 -3.591 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -5.200 -19.538 -5.314 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -6.500 -18.434 -5.715 1.00 0.00 H new ATOM 0 HE ARG A 87 -5.309 -17.722 -7.639 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -3.030 -19.518 -5.485 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -1.723 -19.496 -6.673 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -3.572 -17.691 -9.148 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -2.030 -18.458 -8.754 1.00 0.00 H new ATOM 1465 N ILE A 88 -2.015 -15.562 -3.249 1.00 0.00 N ATOM 1466 CA ILE A 88 -0.570 -15.777 -3.432 1.00 0.00 C ATOM 1467 C ILE A 88 -0.152 -16.983 -2.621 1.00 0.00 C ATOM 1468 O ILE A 88 -0.469 -17.104 -1.443 1.00 0.00 O ATOM 1469 CB ILE A 88 0.346 -14.575 -3.154 1.00 0.00 C ATOM 1470 CG1 ILE A 88 -0.091 -13.735 -1.923 1.00 0.00 C ATOM 1471 CG2 ILE A 88 0.444 -13.769 -4.465 1.00 0.00 C ATOM 1472 CD1 ILE A 88 -0.831 -12.427 -2.246 1.00 0.00 C ATOM 0 H ILE A 88 -2.330 -15.683 -2.286 1.00 0.00 H new ATOM 0 HA ILE A 88 -0.432 -15.943 -4.500 1.00 0.00 H new ATOM 0 HB ILE A 88 1.339 -14.918 -2.863 1.00 0.00 H new ATOM 0 HG12 ILE A 88 -0.734 -14.351 -1.294 1.00 0.00 H new ATOM 0 HG13 ILE A 88 0.795 -13.496 -1.335 1.00 0.00 H new ATOM 0 HG21 ILE A 88 1.088 -12.903 -4.312 1.00 0.00 H new ATOM 0 HG22 ILE A 88 0.864 -14.399 -5.249 1.00 0.00 H new ATOM 0 HG23 ILE A 88 -0.550 -13.435 -4.762 1.00 0.00 H new ATOM 0 HD11 ILE A 88 -1.091 -11.918 -1.318 1.00 0.00 H new ATOM 0 HD12 ILE A 88 -0.187 -11.783 -2.845 1.00 0.00 H new ATOM 0 HD13 ILE A 88 -1.740 -12.652 -2.804 1.00 0.00 H new ATOM 1484 N GLY A 89 0.525 -17.970 -3.295 1.00 0.00 N ATOM 1485 CA GLY A 89 0.927 -19.291 -2.717 1.00 0.00 C ATOM 1486 C GLY A 89 -0.251 -20.220 -2.509 1.00 0.00 C ATOM 1487 O GLY A 89 -0.208 -21.141 -1.703 1.00 0.00 O ATOM 0 H GLY A 89 0.809 -17.864 -4.269 1.00 0.00 H new ATOM 0 HA2 GLY A 89 1.649 -19.769 -3.380 1.00 0.00 H new ATOM 0 HA3 GLY A 89 1.429 -19.128 -1.763 1.00 0.00 H new ATOM 1491 N GLY A 90 -1.365 -19.921 -3.226 1.00 0.00 N ATOM 1492 CA GLY A 90 -2.678 -20.575 -3.080 1.00 0.00 C ATOM 1493 C GLY A 90 -3.558 -20.002 -1.979 1.00 0.00 C ATOM 1494 O GLY A 90 -4.548 -20.630 -1.617 1.00 0.00 O ATOM 0 H GLY A 90 -1.367 -19.195 -3.942 1.00 0.00 H new ATOM 0 HA2 GLY A 90 -3.212 -20.502 -4.027 1.00 0.00 H new ATOM 0 HA3 GLY A 90 -2.520 -21.636 -2.884 1.00 0.00 H new ATOM 1498 N ALA A 91 -3.241 -18.815 -1.386 1.00 0.00 N ATOM 1499 CA ALA A 91 -3.995 -18.278 -0.269 1.00 0.00 C ATOM 1500 C ALA A 91 -4.310 -16.801 -0.505 1.00 0.00 C ATOM 1501 O ALA A 91 -3.462 -16.036 -0.959 1.00 0.00 O ATOM 1502 CB ALA A 91 -3.173 -18.475 1.019 1.00 0.00 C ATOM 0 H ALA A 91 -2.461 -18.228 -1.682 1.00 0.00 H new ATOM 0 HA ALA A 91 -4.945 -18.803 -0.170 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -3.727 -18.076 1.869 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -2.988 -19.538 1.173 1.00 0.00 H new ATOM 0 HB3 ALA A 91 -2.222 -17.951 0.927 1.00 0.00 H new ATOM 1508 N ASP A 92 -5.566 -16.369 -0.205 1.00 0.00 N ATOM 1509 CA ASP A 92 -6.139 -15.036 -0.360 1.00 0.00 C ATOM 1510 C ASP A 92 -5.779 -14.156 0.850 1.00 0.00 C ATOM 1511 O ASP A 92 -6.259 -14.368 1.962 1.00 0.00 O ATOM 1512 CB ASP A 92 -7.678 -15.252 -0.531 1.00 0.00 C ATOM 1513 CG ASP A 92 -8.413 -14.131 -1.270 1.00 0.00 C ATOM 1514 OD1 ASP A 92 -7.881 -13.639 -2.300 1.00 0.00 O ATOM 1515 OD2 ASP A 92 -9.540 -13.783 -0.828 1.00 0.00 O ATOM 0 H ASP A 92 -6.251 -17.016 0.185 1.00 0.00 H new ATOM 0 HA ASP A 92 -5.743 -14.505 -1.226 1.00 0.00 H new ATOM 0 HB2 ASP A 92 -7.841 -16.187 -1.067 1.00 0.00 H new ATOM 0 HB3 ASP A 92 -8.125 -15.369 0.456 1.00 0.00 H new ATOM 1520 N PHE A 93 -4.873 -13.167 0.647 1.00 0.00 N ATOM 1521 CA PHE A 93 -4.282 -12.341 1.689 1.00 0.00 C ATOM 1522 C PHE A 93 -4.513 -10.877 1.401 1.00 0.00 C ATOM 1523 O PHE A 93 -4.759 -10.480 0.263 1.00 0.00 O ATOM 1524 CB PHE A 93 -2.728 -12.560 1.729 1.00 0.00 C ATOM 1525 CG PHE A 93 -2.288 -13.949 2.158 1.00 0.00 C ATOM 1526 CD1 PHE A 93 -2.955 -14.729 3.092 1.00 0.00 C ATOM 1527 CD2 PHE A 93 -1.111 -14.453 1.626 1.00 0.00 C ATOM 1528 CE1 PHE A 93 -2.467 -15.967 3.465 1.00 0.00 C ATOM 1529 CE2 PHE A 93 -0.644 -15.709 1.956 1.00 0.00 C ATOM 1530 CZ PHE A 93 -1.315 -16.463 2.894 1.00 0.00 C ATOM 0 H PHE A 93 -4.533 -12.927 -0.284 1.00 0.00 H new ATOM 0 HA PHE A 93 -4.744 -12.623 2.635 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -2.322 -12.356 0.738 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -2.290 -11.830 2.410 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -3.870 -14.363 3.534 1.00 0.00 H new ATOM 0 HD2 PHE A 93 -0.545 -13.846 0.935 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -2.991 -16.549 4.208 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.244 -16.099 1.481 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.941 -17.435 3.179 1.00 0.00 H new ATOM 1540 N LEU A 94 -4.361 -10.022 2.458 1.00 0.00 N ATOM 1541 CA LEU A 94 -4.419 -8.567 2.388 1.00 0.00 C ATOM 1542 C LEU A 94 -2.984 -8.117 2.130 1.00 0.00 C ATOM 1543 O LEU A 94 -2.095 -8.272 2.960 1.00 0.00 O ATOM 1544 CB LEU A 94 -5.021 -7.965 3.686 1.00 0.00 C ATOM 1545 CG LEU A 94 -6.550 -7.755 3.566 1.00 0.00 C ATOM 1546 CD1 LEU A 94 -7.308 -9.092 3.512 1.00 0.00 C ATOM 1547 CD2 LEU A 94 -7.099 -6.923 4.744 1.00 0.00 C ATOM 0 H LEU A 94 -4.190 -10.361 3.405 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.077 -8.217 1.593 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -4.810 -8.627 4.526 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -4.539 -7.012 3.902 1.00 0.00 H new ATOM 0 HG LEU A 94 -6.711 -7.215 2.633 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.378 -8.901 3.428 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.973 -9.666 2.648 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -7.111 -9.659 4.422 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -8.175 -6.795 4.628 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -6.894 -7.440 5.681 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -6.616 -5.946 4.756 1.00 0.00 H new ATOM 1559 N VAL A 95 -2.722 -7.609 0.916 1.00 0.00 N ATOM 1560 CA VAL A 95 -1.389 -7.346 0.401 1.00 0.00 C ATOM 1561 C VAL A 95 -1.377 -5.871 0.070 1.00 0.00 C ATOM 1562 O VAL A 95 -2.409 -5.343 -0.362 1.00 0.00 O ATOM 1563 CB VAL A 95 -1.177 -8.298 -0.793 1.00 0.00 C ATOM 1564 CG1 VAL A 95 -2.070 -7.980 -2.028 1.00 0.00 C ATOM 1565 CG2 VAL A 95 0.300 -8.392 -1.212 1.00 0.00 C ATOM 0 H VAL A 95 -3.459 -7.366 0.254 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.562 -7.536 1.085 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.496 -9.271 -0.420 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.859 -8.695 -2.823 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -3.120 -8.050 -1.745 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -1.856 -6.971 -2.381 1.00 0.00 H new ATOM 0 HG21 VAL A 95 0.396 -9.075 -2.056 1.00 0.00 H new ATOM 0 HG22 VAL A 95 0.660 -7.404 -1.501 1.00 0.00 H new ATOM 0 HG23 VAL A 95 0.892 -8.764 -0.376 1.00 0.00 H new ATOM 1575 N TRP A 96 -0.232 -5.152 0.234 1.00 0.00 N ATOM 1576 CA TRP A 96 -0.230 -3.706 -0.103 1.00 0.00 C ATOM 1577 C TRP A 96 0.457 -3.590 -1.462 1.00 0.00 C ATOM 1578 O TRP A 96 1.521 -4.165 -1.671 1.00 0.00 O ATOM 1579 CB TRP A 96 0.655 -2.954 0.927 1.00 0.00 C ATOM 1580 CG TRP A 96 0.013 -2.644 2.259 1.00 0.00 C ATOM 1581 CD1 TRP A 96 -1.292 -2.352 2.511 1.00 0.00 C ATOM 1582 CD2 TRP A 96 0.718 -2.451 3.503 1.00 0.00 C ATOM 1583 NE1 TRP A 96 -1.445 -1.997 3.824 1.00 0.00 N ATOM 1584 CE2 TRP A 96 -0.214 -2.042 4.448 1.00 0.00 C ATOM 1585 CE3 TRP A 96 2.030 -2.576 3.842 1.00 0.00 C ATOM 1586 CZ2 TRP A 96 0.167 -1.724 5.730 1.00 0.00 C ATOM 1587 CZ3 TRP A 96 2.393 -2.339 5.130 1.00 0.00 C ATOM 1588 CH2 TRP A 96 1.503 -1.882 6.061 1.00 0.00 C ATOM 0 H TRP A 96 0.653 -5.525 0.578 1.00 0.00 H new ATOM 0 HA TRP A 96 -1.240 -3.296 -0.104 1.00 0.00 H new ATOM 0 HB2 TRP A 96 1.550 -3.549 1.109 1.00 0.00 H new ATOM 0 HB3 TRP A 96 0.982 -2.016 0.478 1.00 0.00 H new ATOM 0 HD1 TRP A 96 -2.089 -2.394 1.783 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -2.326 -1.741 4.270 1.00 0.00 H new ATOM 0 HE3 TRP A 96 2.766 -2.857 3.104 1.00 0.00 H new ATOM 0 HZ2 TRP A 96 -0.550 -1.364 6.453 1.00 0.00 H new ATOM 0 HZ3 TRP A 96 3.416 -2.517 5.427 1.00 0.00 H new ATOM 0 HH2 TRP A 96 1.842 -1.643 7.058 1.00 0.00 H new ATOM 1599 N ARG A 97 -0.094 -2.844 -2.455 1.00 0.00 N ATOM 1600 CA ARG A 97 0.549 -2.679 -3.742 1.00 0.00 C ATOM 1601 C ARG A 97 0.497 -1.219 -4.073 1.00 0.00 C ATOM 1602 O ARG A 97 -0.416 -0.516 -3.623 1.00 0.00 O ATOM 1603 CB ARG A 97 -0.177 -3.510 -4.835 1.00 0.00 C ATOM 1604 CG ARG A 97 -1.630 -3.069 -5.120 1.00 0.00 C ATOM 1605 CD ARG A 97 -2.432 -4.069 -5.962 1.00 0.00 C ATOM 1606 NE ARG A 97 -3.833 -3.544 -6.139 1.00 0.00 N ATOM 1607 CZ ARG A 97 -4.198 -2.631 -7.095 1.00 0.00 C ATOM 1608 NH1 ARG A 97 -3.296 -2.155 -8.000 1.00 0.00 N ATOM 1609 NH2 ARG A 97 -5.491 -2.193 -7.140 1.00 0.00 N ATOM 0 H ARG A 97 -0.985 -2.355 -2.367 1.00 0.00 H new ATOM 0 HA ARG A 97 1.579 -3.034 -3.703 1.00 0.00 H new ATOM 0 HB2 ARG A 97 0.396 -3.448 -5.760 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -0.182 -4.557 -4.533 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -2.144 -2.914 -4.172 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -1.613 -2.108 -5.634 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -1.957 -4.211 -6.933 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -2.453 -5.043 -5.472 1.00 0.00 H new ATOM 0 HE ARG A 97 -4.556 -3.890 -5.508 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -2.329 -2.478 -7.974 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -3.589 -1.476 -8.703 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -6.172 -2.545 -6.467 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -5.775 -1.514 -7.846 1.00 0.00 H new ATOM 1623 N TRP A 98 1.477 -0.710 -4.864 1.00 0.00 N ATOM 1624 CA TRP A 98 1.548 0.700 -5.187 1.00 0.00 C ATOM 1625 C TRP A 98 1.168 0.962 -6.607 1.00 0.00 C ATOM 1626 O TRP A 98 1.442 0.183 -7.510 1.00 0.00 O ATOM 1627 CB TRP A 98 2.896 1.375 -4.891 1.00 0.00 C ATOM 1628 CG TRP A 98 2.915 2.921 -4.943 1.00 0.00 C ATOM 1629 CD1 TRP A 98 3.950 3.520 -5.550 1.00 0.00 C ATOM 1630 CD2 TRP A 98 1.959 4.001 -4.675 1.00 0.00 C ATOM 1631 NE1 TRP A 98 3.773 4.854 -5.612 1.00 0.00 N ATOM 1632 CE2 TRP A 98 2.599 5.188 -5.024 1.00 0.00 C ATOM 1633 CE3 TRP A 98 0.657 4.043 -4.239 1.00 0.00 C ATOM 1634 CZ2 TRP A 98 2.006 6.412 -4.914 1.00 0.00 C ATOM 1635 CZ3 TRP A 98 0.023 5.274 -4.262 1.00 0.00 C ATOM 1636 CH2 TRP A 98 0.687 6.448 -4.546 1.00 0.00 C ATOM 0 H TRP A 98 2.219 -1.273 -5.280 1.00 0.00 H new ATOM 0 HA TRP A 98 0.823 1.153 -4.511 1.00 0.00 H new ATOM 0 HB2 TRP A 98 3.225 1.062 -3.900 1.00 0.00 H new ATOM 0 HB3 TRP A 98 3.630 1.000 -5.604 1.00 0.00 H new ATOM 0 HD1 TRP A 98 4.813 3.000 -5.939 1.00 0.00 H new ATOM 0 HE1 TRP A 98 4.425 5.513 -6.038 1.00 0.00 H new ATOM 0 HE3 TRP A 98 0.150 3.154 -3.893 1.00 0.00 H new ATOM 0 HZ2 TRP A 98 2.557 7.320 -5.110 1.00 0.00 H new ATOM 0 HZ3 TRP A 98 -1.035 5.316 -4.049 1.00 0.00 H new ATOM 0 HH2 TRP A 98 0.169 7.393 -4.479 1.00 0.00 H new ATOM 1647 N ILE A 99 0.504 2.113 -6.799 1.00 0.00 N ATOM 1648 CA ILE A 99 0.031 2.634 -8.042 1.00 0.00 C ATOM 1649 C ILE A 99 0.683 3.977 -8.230 1.00 0.00 C ATOM 1650 O ILE A 99 0.566 4.852 -7.382 1.00 0.00 O ATOM 1651 CB ILE A 99 -1.494 2.681 -7.972 1.00 0.00 C ATOM 1652 CG1 ILE A 99 -2.052 3.184 -6.597 1.00 0.00 C ATOM 1653 CG2 ILE A 99 -1.844 1.197 -8.185 1.00 0.00 C ATOM 1654 CD1 ILE A 99 -3.580 3.176 -6.496 1.00 0.00 C ATOM 0 H ILE A 99 0.280 2.730 -6.018 1.00 0.00 H new ATOM 0 HA ILE A 99 0.287 2.023 -8.908 1.00 0.00 H new ATOM 0 HB ILE A 99 -1.924 3.379 -8.690 1.00 0.00 H new ATOM 0 HG12 ILE A 99 -1.644 2.560 -5.802 1.00 0.00 H new ATOM 0 HG13 ILE A 99 -1.693 4.198 -6.422 1.00 0.00 H new ATOM 0 HG21 ILE A 99 -2.926 1.071 -8.160 1.00 0.00 H new ATOM 0 HG22 ILE A 99 -1.463 0.868 -9.152 1.00 0.00 H new ATOM 0 HG23 ILE A 99 -1.391 0.599 -7.394 1.00 0.00 H new ATOM 0 HD11 ILE A 99 -3.882 3.538 -5.513 1.00 0.00 H new ATOM 0 HD12 ILE A 99 -3.999 3.824 -7.266 1.00 0.00 H new ATOM 0 HD13 ILE A 99 -3.949 2.160 -6.637 1.00 0.00 H new ATOM 1666 N GLN A 100 1.401 4.195 -9.371 1.00 0.00 N ATOM 1667 CA GLN A 100 2.029 5.468 -9.739 1.00 0.00 C ATOM 1668 C GLN A 100 0.880 6.413 -10.216 1.00 0.00 C ATOM 1669 O GLN A 100 -0.045 5.885 -10.843 1.00 0.00 O ATOM 1670 CB GLN A 100 3.161 5.257 -10.817 1.00 0.00 C ATOM 1671 CG GLN A 100 3.813 6.565 -11.302 1.00 0.00 C ATOM 1672 CD GLN A 100 3.071 7.255 -12.430 1.00 0.00 C ATOM 1673 OE1 GLN A 100 2.267 6.640 -13.137 1.00 0.00 O ATOM 1674 NE2 GLN A 100 3.380 8.561 -12.631 1.00 0.00 N ATOM 0 H GLN A 100 1.553 3.464 -10.066 1.00 0.00 H new ATOM 0 HA GLN A 100 2.541 5.924 -8.892 1.00 0.00 H new ATOM 0 HB2 GLN A 100 3.933 4.612 -10.397 1.00 0.00 H new ATOM 0 HB3 GLN A 100 2.739 4.733 -11.675 1.00 0.00 H new ATOM 0 HG2 GLN A 100 3.889 7.253 -10.460 1.00 0.00 H new ATOM 0 HG3 GLN A 100 4.830 6.350 -11.631 1.00 0.00 H new ATOM 0 HE21 GLN A 100 4.051 9.026 -12.020 1.00 0.00 H new ATOM 0 HE22 GLN A 100 2.941 9.077 -13.393 1.00 0.00 H new