USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 900 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 81 THR OG1 : rot 156:sc= 1.18 USER MOD Set 1.2: A 146 GLN : amide:sc= 1 K(o=2.2,f=1.2) USER MOD Set 2.1: A 46 SER OG : rot 160:sc= 0.0266 USER MOD Set 2.2: A 49 MET CE :methyl 167:sc= -5.82! (180deg=-6.07!) USER MOD Set 3.1: A 34 MET CE :methyl -178:sc= -3.52! (180deg=-3.54!) USER MOD Set 3.2: A 51 MET CE :methyl -163:sc= -0.404 (180deg=-0.841) USER MOD Single : A 25 LYS NZ :NH3+ -164:sc= -0.0424 (180deg=-0.376) USER MOD Single : A 29 TYR OH : rot 15:sc= -0.604 USER MOD Single : A 38 GLN : amide:sc= -12.5! C(o=-12!,f=-16!) USER MOD Single : A 42 LYS NZ :NH3+ -138:sc= 1.08 (180deg=-0.0861) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= -0.547 USER MOD Single : A 85 LYS NZ :NH3+ -157:sc= 0.00218 (180deg=-0.0323) USER MOD Single : A 99 SER OG : rot 180:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 THR OG1 : rot -117:sc= -0.66 USER MOD Single : A 112 MET CE :methyl -155:sc= -0.356 (180deg=-2.02) USER MOD Single : A 115 LYS NZ :NH3+ -175:sc= 0.857 (180deg=0.711) USER MOD Single : A 126 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 130 THR OG1 : rot 180:sc= 0 USER MOD Single : A 134 GLN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 135 SER OG : rot 99:sc= -2.14! USER MOD Single : A 142 LYS NZ :NH3+ -174:sc=-0.000967 (180deg=-0.0654) USER MOD Single : A 145 GLN : amide:sc= -0.644 X(o=-0.64,f=-1.1) USER MOD Single : A 152 GLN : amide:sc= -0.468 K(o=-0.47,f=-4.5!) USER MOD Single : A 157 SER OG : rot 180:sc= 0.0472 USER MOD Single : A 160 SER OG : rot 180:sc= 0 USER MOD Single : A 164 THR OG1 : rot 180:sc= 0.422 USER MOD ----------------------------------------------------------------- ATOM 308 N LYS A 25 9.863 -12.937 11.090 1.00 8.70 N ATOM 309 CA LYS A 25 9.776 -14.069 10.178 1.00 8.11 C ATOM 310 C LYS A 25 9.427 -13.540 8.810 1.00 7.19 C ATOM 311 O LYS A 25 8.391 -13.858 8.238 1.00 6.94 O ATOM 312 CB LYS A 25 8.763 -15.140 10.620 1.00 8.62 C ATOM 313 CG LYS A 25 9.152 -15.919 11.872 1.00 9.02 C ATOM 314 CD LYS A 25 8.928 -15.107 13.137 1.00 9.74 C ATOM 315 CE LYS A 25 9.142 -15.944 14.388 1.00 10.22 C ATOM 316 NZ LYS A 25 8.172 -17.069 14.480 1.00 10.38 N1+ ATOM 0 HA LYS A 25 10.743 -14.573 10.171 1.00 8.11 H new ATOM 0 HB2 LYS A 25 7.801 -14.658 10.795 1.00 8.62 H new ATOM 0 HB3 LYS A 25 8.622 -15.845 9.801 1.00 8.62 H new ATOM 0 HG2 LYS A 25 8.569 -16.839 11.923 1.00 9.02 H new ATOM 0 HG3 LYS A 25 10.201 -16.209 11.808 1.00 9.02 H new ATOM 0 HD2 LYS A 25 9.608 -14.256 13.148 1.00 9.74 H new ATOM 0 HD3 LYS A 25 7.915 -14.705 13.137 1.00 9.74 H new ATOM 0 HE2 LYS A 25 10.157 -16.340 14.390 1.00 10.22 H new ATOM 0 HE3 LYS A 25 9.046 -15.310 15.269 1.00 10.22 H new ATOM 0 HZ1 LYS A 25 8.166 -17.444 15.450 1.00 10.38 H new ATOM 0 HZ2 LYS A 25 7.221 -16.728 14.235 1.00 10.38 H new ATOM 0 HZ3 LYS A 25 8.451 -17.822 13.820 1.00 10.38 H new ATOM 330 N ARG A 26 10.303 -12.689 8.329 1.00 6.90 N ATOM 331 CA ARG A 26 10.148 -12.023 7.064 1.00 6.23 C ATOM 332 C ARG A 26 11.454 -12.099 6.278 1.00 5.83 C ATOM 333 O ARG A 26 12.537 -11.990 6.850 1.00 6.27 O ATOM 334 CB ARG A 26 9.751 -10.595 7.369 1.00 6.68 C ATOM 335 CG ARG A 26 8.300 -10.473 7.794 1.00 7.16 C ATOM 336 CD ARG A 26 7.384 -10.205 6.606 1.00 7.38 C ATOM 337 NE ARG A 26 5.978 -10.041 7.001 1.00 7.54 N ATOM 338 CZ ARG A 26 4.939 -10.452 6.262 1.00 7.99 C ATOM 339 NH1 ARG A 26 5.138 -11.132 5.144 1.00 8.33 N1+ ATOM 340 NH2 ARG A 26 3.696 -10.210 6.665 1.00 8.37 N ATOM 0 H ARG A 26 11.161 -12.437 8.820 1.00 6.90 H new ATOM 0 HA ARG A 26 9.383 -12.493 6.446 1.00 6.23 H new ATOM 0 HB2 ARG A 26 10.392 -10.204 8.159 1.00 6.68 H new ATOM 0 HB3 ARG A 26 9.921 -9.978 6.487 1.00 6.68 H new ATOM 0 HG2 ARG A 26 7.989 -11.391 8.293 1.00 7.16 H new ATOM 0 HG3 ARG A 26 8.200 -9.666 8.520 1.00 7.16 H new ATOM 0 HD2 ARG A 26 7.719 -9.306 6.089 1.00 7.38 H new ATOM 0 HD3 ARG A 26 7.464 -11.029 5.897 1.00 7.38 H new ATOM 0 HE ARG A 26 5.781 -9.586 7.893 1.00 7.54 H new ATOM 0 HH11 ARG A 26 6.088 -11.347 4.840 1.00 8.33 H new ATOM 0 HH12 ARG A 26 4.342 -11.442 4.587 1.00 8.33 H new ATOM 0 HH21 ARG A 26 3.531 -9.710 7.539 1.00 8.37 H new ATOM 0 HH22 ARG A 26 2.907 -10.524 6.100 1.00 8.37 H new ATOM 354 N ILE A 27 11.337 -12.310 4.972 1.00 5.15 N ATOM 355 CA ILE A 27 12.484 -12.625 4.123 1.00 4.81 C ATOM 356 C ILE A 27 13.583 -11.586 4.203 1.00 5.34 C ATOM 357 O ILE A 27 13.346 -10.389 4.040 1.00 5.76 O ATOM 358 CB ILE A 27 12.086 -12.772 2.646 1.00 4.32 C ATOM 359 CG1 ILE A 27 10.948 -13.769 2.490 1.00 4.09 C ATOM 360 CG2 ILE A 27 13.285 -13.198 1.820 1.00 4.22 C ATOM 361 CD1 ILE A 27 11.313 -15.198 2.779 1.00 4.18 C ATOM 0 H ILE A 27 10.449 -12.268 4.472 1.00 5.15 H new ATOM 0 HA ILE A 27 12.858 -13.573 4.508 1.00 4.81 H new ATOM 0 HB ILE A 27 11.739 -11.804 2.284 1.00 4.32 H new ATOM 0 HG12 ILE A 27 10.134 -13.476 3.154 1.00 4.09 H new ATOM 0 HG13 ILE A 27 10.567 -13.706 1.471 1.00 4.09 H new ATOM 0 HG21 ILE A 27 12.990 -13.299 0.776 1.00 4.22 H new ATOM 0 HG22 ILE A 27 14.070 -12.447 1.904 1.00 4.22 H new ATOM 0 HG23 ILE A 27 13.657 -14.155 2.186 1.00 4.22 H new ATOM 0 HD11 ILE A 27 10.437 -15.832 2.641 1.00 4.18 H new ATOM 0 HD12 ILE A 27 12.103 -15.517 2.099 1.00 4.18 H new ATOM 0 HD13 ILE A 27 11.664 -15.283 3.807 1.00 4.18 H new ATOM 373 N LEU A 28 14.789 -12.073 4.423 1.00 5.52 N ATOM 374 CA LEU A 28 15.954 -11.226 4.465 1.00 6.20 C ATOM 375 C LEU A 28 16.870 -11.544 3.278 1.00 6.05 C ATOM 376 O LEU A 28 17.742 -10.746 2.937 1.00 6.59 O ATOM 377 CB LEU A 28 16.620 -11.378 5.845 1.00 6.86 C ATOM 378 CG LEU A 28 17.741 -12.384 6.023 1.00 7.51 C ATOM 379 CD1 LEU A 28 18.325 -12.263 7.422 1.00 8.22 C ATOM 380 CD2 LEU A 28 17.230 -13.796 5.794 1.00 7.71 C ATOM 0 H LEU A 28 14.983 -13.063 4.576 1.00 5.52 H new ATOM 0 HA LEU A 28 15.693 -10.173 4.356 1.00 6.20 H new ATOM 0 HB2 LEU A 28 17.009 -10.401 6.130 1.00 6.86 H new ATOM 0 HB3 LEU A 28 15.837 -11.630 6.560 1.00 6.86 H new ATOM 0 HG LEU A 28 18.519 -12.174 5.289 1.00 7.51 H new ATOM 0 HD11 LEU A 28 19.130 -12.988 7.544 1.00 8.22 H new ATOM 0 HD12 LEU A 28 18.718 -11.257 7.566 1.00 8.22 H new ATOM 0 HD13 LEU A 28 17.546 -12.458 8.159 1.00 8.22 H new ATOM 0 HD21 LEU A 28 18.048 -14.505 5.926 1.00 7.71 H new ATOM 0 HD22 LEU A 28 16.439 -14.017 6.510 1.00 7.71 H new ATOM 0 HD23 LEU A 28 16.836 -13.881 4.781 1.00 7.71 H new ATOM 392 N TYR A 29 16.633 -12.710 2.643 1.00 5.47 N ATOM 393 CA TYR A 29 17.296 -13.110 1.384 1.00 5.43 C ATOM 394 C TYR A 29 17.047 -14.592 1.099 1.00 4.86 C ATOM 395 O TYR A 29 16.400 -15.291 1.884 1.00 4.58 O ATOM 396 CB TYR A 29 18.802 -12.868 1.423 1.00 6.20 C ATOM 397 CG TYR A 29 19.549 -13.884 2.241 1.00 6.41 C ATOM 398 CD1 TYR A 29 19.463 -13.915 3.625 1.00 6.76 C ATOM 399 CD2 TYR A 29 20.331 -14.819 1.614 1.00 6.48 C ATOM 400 CE1 TYR A 29 20.158 -14.858 4.353 1.00 7.24 C ATOM 401 CE2 TYR A 29 21.021 -15.768 2.327 1.00 6.91 C ATOM 402 CZ TYR A 29 20.910 -15.719 3.795 1.00 7.33 C ATOM 403 OH TYR A 29 21.614 -16.733 4.401 1.00 7.99 O ATOM 0 H TYR A 29 15.972 -13.405 2.991 1.00 5.47 H new ATOM 0 HA TYR A 29 16.867 -12.493 0.594 1.00 5.43 H new ATOM 0 HB2 TYR A 29 19.190 -12.876 0.405 1.00 6.20 H new ATOM 0 HB3 TYR A 29 18.992 -11.875 1.829 1.00 6.20 H new ATOM 0 HD1 TYR A 29 18.845 -13.193 4.138 1.00 6.76 H new ATOM 0 HD2 TYR A 29 20.406 -14.809 0.537 1.00 6.48 H new ATOM 0 HE1 TYR A 29 20.061 -14.866 5.429 1.00 7.24 H new ATOM 0 HE2 TYR A 29 21.620 -16.519 1.833 1.00 6.91 H new ATOM 0 HH TYR A 29 21.280 -16.863 5.313 1.00 7.99 H new ATOM 413 N TRP A 30 17.595 -15.050 -0.023 1.00 4.95 N ATOM 414 CA TRP A 30 17.404 -16.411 -0.511 1.00 4.73 C ATOM 415 C TRP A 30 18.707 -17.204 -0.468 1.00 5.18 C ATOM 416 O TRP A 30 19.780 -16.665 -0.734 1.00 5.61 O ATOM 417 CB TRP A 30 16.903 -16.357 -1.948 1.00 4.74 C ATOM 418 CG TRP A 30 15.416 -16.445 -2.085 1.00 4.48 C ATOM 419 CD1 TRP A 30 14.703 -17.541 -2.466 1.00 4.66 C ATOM 420 CD2 TRP A 30 14.462 -15.404 -1.858 1.00 4.33 C ATOM 421 NE1 TRP A 30 13.365 -17.242 -2.505 1.00 4.65 N ATOM 422 CE2 TRP A 30 13.190 -15.938 -2.133 1.00 4.37 C ATOM 423 CE3 TRP A 30 14.556 -14.073 -1.451 1.00 4.46 C ATOM 424 CZ2 TRP A 30 12.024 -15.189 -2.013 1.00 4.41 C ATOM 425 CZ3 TRP A 30 13.398 -13.329 -1.334 1.00 4.49 C ATOM 426 CH2 TRP A 30 12.146 -13.888 -1.614 1.00 4.40 C ATOM 0 H TRP A 30 18.190 -14.480 -0.625 1.00 4.95 H new ATOM 0 HA TRP A 30 16.678 -16.908 0.132 1.00 4.73 H new ATOM 0 HB2 TRP A 30 17.244 -15.428 -2.405 1.00 4.74 H new ATOM 0 HB3 TRP A 30 17.357 -17.173 -2.510 1.00 4.74 H new ATOM 0 HD1 TRP A 30 15.129 -18.505 -2.703 1.00 4.66 H new ATOM 0 HE1 TRP A 30 12.621 -17.888 -2.769 1.00 4.65 H new ATOM 0 HE3 TRP A 30 15.517 -13.632 -1.231 1.00 4.46 H new ATOM 0 HZ2 TRP A 30 11.057 -15.620 -2.227 1.00 4.41 H new ATOM 0 HZ3 TRP A 30 13.460 -12.297 -1.021 1.00 4.49 H new ATOM 0 HH2 TRP A 30 11.259 -13.280 -1.513 1.00 4.40 H new ATOM 437 N ARG A 31 18.597 -18.487 -0.142 1.00 5.31 N ATOM 438 CA ARG A 31 19.745 -19.381 -0.061 1.00 5.89 C ATOM 439 C ARG A 31 19.338 -20.818 -0.375 1.00 6.18 C ATOM 440 O ARG A 31 18.198 -21.209 -0.131 1.00 6.15 O ATOM 441 CB ARG A 31 20.354 -19.345 1.338 1.00 6.39 C ATOM 442 CG ARG A 31 19.343 -19.600 2.442 1.00 6.58 C ATOM 443 CD ARG A 31 20.013 -20.036 3.739 1.00 7.25 C ATOM 444 NE ARG A 31 21.198 -19.244 4.069 1.00 7.68 N ATOM 445 CZ ARG A 31 22.069 -19.575 5.026 1.00 8.49 C ATOM 446 NH1 ARG A 31 21.895 -20.689 5.728 1.00 8.90 N1+ ATOM 447 NH2 ARG A 31 23.110 -18.791 5.285 1.00 9.06 N ATOM 0 H ARG A 31 17.707 -18.937 0.074 1.00 5.31 H new ATOM 0 HA ARG A 31 20.477 -19.041 -0.793 1.00 5.89 H new ATOM 0 HB2 ARG A 31 21.146 -20.091 1.401 1.00 6.39 H new ATOM 0 HB3 ARG A 31 20.819 -18.372 1.499 1.00 6.39 H new ATOM 0 HG2 ARG A 31 18.764 -18.694 2.620 1.00 6.58 H new ATOM 0 HG3 ARG A 31 18.641 -20.369 2.120 1.00 6.58 H new ATOM 0 HD2 ARG A 31 19.294 -19.960 4.555 1.00 7.25 H new ATOM 0 HD3 ARG A 31 20.296 -21.086 3.660 1.00 7.25 H new ATOM 0 HE ARG A 31 21.369 -18.390 3.538 1.00 7.68 H new ATOM 0 HH11 ARG A 31 21.096 -21.293 5.537 1.00 8.90 H new ATOM 0 HH12 ARG A 31 22.561 -20.941 6.459 1.00 8.90 H new ATOM 0 HH21 ARG A 31 23.247 -17.932 4.752 1.00 9.06 H new ATOM 0 HH22 ARG A 31 23.772 -19.048 6.017 1.00 9.06 H new ATOM 461 N ASP A 32 20.268 -21.600 -0.905 1.00 6.64 N ATOM 462 CA ASP A 32 20.026 -23.024 -1.117 1.00 7.19 C ATOM 463 C ASP A 32 20.213 -23.754 0.208 1.00 7.82 C ATOM 464 O ASP A 32 21.196 -23.515 0.913 1.00 8.07 O ATOM 465 CB ASP A 32 20.985 -23.605 -2.167 1.00 7.56 C ATOM 466 CG ASP A 32 20.537 -24.943 -2.735 1.00 7.94 C ATOM 467 OD1 ASP A 32 20.494 -25.927 -1.976 1.00 8.31 O1- ATOM 468 OD2 ASP A 32 20.185 -25.010 -3.930 1.00 8.10 O ATOM 0 H ASP A 32 21.191 -21.278 -1.195 1.00 6.64 H new ATOM 0 HA ASP A 32 19.009 -23.156 -1.486 1.00 7.19 H new ATOM 0 HB2 ASP A 32 21.090 -22.891 -2.984 1.00 7.56 H new ATOM 0 HB3 ASP A 32 21.971 -23.723 -1.718 1.00 7.56 H new ATOM 473 N PRO A 33 19.282 -24.633 0.582 1.00 8.28 N ATOM 474 CA PRO A 33 19.397 -25.409 1.817 1.00 9.11 C ATOM 475 C PRO A 33 20.607 -26.347 1.805 1.00 9.74 C ATOM 476 O PRO A 33 21.003 -26.878 2.845 1.00 10.41 O ATOM 477 CB PRO A 33 18.099 -26.223 1.882 1.00 9.60 C ATOM 478 CG PRO A 33 17.189 -25.636 0.855 1.00 8.98 C ATOM 479 CD PRO A 33 18.046 -24.919 -0.149 1.00 8.23 C ATOM 0 HA PRO A 33 19.540 -24.757 2.678 1.00 9.11 H new ATOM 0 HB2 PRO A 33 18.289 -27.277 1.677 1.00 9.60 H new ATOM 0 HB3 PRO A 33 17.653 -26.167 2.875 1.00 9.60 H new ATOM 0 HG2 PRO A 33 16.603 -26.417 0.371 1.00 8.98 H new ATOM 0 HG3 PRO A 33 16.482 -24.947 1.318 1.00 8.98 H new ATOM 0 HD2 PRO A 33 18.235 -25.537 -1.027 1.00 8.23 H new ATOM 0 HD3 PRO A 33 17.569 -24.004 -0.500 1.00 8.23 H new ATOM 487 N MET A 34 21.198 -26.546 0.632 1.00 9.60 N ATOM 488 CA MET A 34 22.378 -27.391 0.513 1.00 10.19 C ATOM 489 C MET A 34 23.656 -26.564 0.496 1.00 9.99 C ATOM 490 O MET A 34 24.756 -27.114 0.408 1.00 10.53 O ATOM 491 CB MET A 34 22.331 -28.246 -0.755 1.00 10.40 C ATOM 492 CG MET A 34 21.442 -29.477 -0.664 1.00 10.85 C ATOM 493 SD MET A 34 19.936 -29.367 -1.659 1.00 10.55 S ATOM 494 CE MET A 34 18.915 -28.318 -0.652 1.00 10.30 C ATOM 0 H MET A 34 20.880 -26.135 -0.246 1.00 9.60 H new ATOM 0 HA MET A 34 22.380 -28.042 1.387 1.00 10.19 H new ATOM 0 HB2 MET A 34 21.984 -27.626 -1.582 1.00 10.40 H new ATOM 0 HB3 MET A 34 23.344 -28.565 -0.999 1.00 10.40 H new ATOM 0 HG2 MET A 34 22.013 -30.350 -0.981 1.00 10.85 H new ATOM 0 HG3 MET A 34 21.166 -29.638 0.378 1.00 10.85 H new ATOM 0 HE1 MET A 34 17.942 -28.194 -1.126 1.00 10.30 H new ATOM 0 HE2 MET A 34 18.785 -28.772 0.330 1.00 10.30 H new ATOM 0 HE3 MET A 34 19.392 -27.344 -0.541 1.00 10.30 H new ATOM 504 N VAL A 35 23.525 -25.250 0.605 1.00 9.32 N ATOM 505 CA VAL A 35 24.697 -24.373 0.605 1.00 9.27 C ATOM 506 C VAL A 35 24.681 -23.379 1.794 1.00 9.25 C ATOM 507 O VAL A 35 24.942 -22.184 1.635 1.00 8.98 O ATOM 508 CB VAL A 35 24.782 -23.620 -0.741 1.00 8.70 C ATOM 509 CG1 VAL A 35 24.706 -24.599 -1.898 1.00 8.84 C ATOM 510 CG2 VAL A 35 23.686 -22.586 -0.846 1.00 7.95 C ATOM 0 H VAL A 35 22.631 -24.767 0.694 1.00 9.32 H new ATOM 0 HA VAL A 35 25.584 -24.995 0.727 1.00 9.27 H new ATOM 0 HB VAL A 35 25.741 -23.103 -0.787 1.00 8.70 H new ATOM 0 HG11 VAL A 35 24.767 -24.054 -2.840 1.00 8.84 H new ATOM 0 HG12 VAL A 35 25.534 -25.305 -1.832 1.00 8.84 H new ATOM 0 HG13 VAL A 35 23.762 -25.142 -1.854 1.00 8.84 H new ATOM 0 HG21 VAL A 35 23.765 -22.068 -1.802 1.00 7.95 H new ATOM 0 HG22 VAL A 35 22.715 -23.077 -0.778 1.00 7.95 H new ATOM 0 HG23 VAL A 35 23.786 -21.866 -0.034 1.00 7.95 H new ATOM 520 N PRO A 36 24.424 -23.869 3.022 1.00 9.74 N ATOM 521 CA PRO A 36 24.246 -23.010 4.202 1.00 9.85 C ATOM 522 C PRO A 36 25.452 -22.107 4.480 1.00 10.22 C ATOM 523 O PRO A 36 26.482 -22.560 4.988 1.00 10.95 O ATOM 524 CB PRO A 36 24.059 -24.011 5.352 1.00 10.65 C ATOM 525 CG PRO A 36 24.617 -25.291 4.840 1.00 11.10 C ATOM 526 CD PRO A 36 24.326 -25.290 3.374 1.00 10.41 C ATOM 0 HA PRO A 36 23.410 -22.323 4.066 1.00 9.85 H new ATOM 0 HB2 PRO A 36 24.582 -23.683 6.250 1.00 10.65 H new ATOM 0 HB3 PRO A 36 23.007 -24.117 5.617 1.00 10.65 H new ATOM 0 HG2 PRO A 36 25.689 -25.356 5.028 1.00 11.10 H new ATOM 0 HG3 PRO A 36 24.154 -26.147 5.332 1.00 11.10 H new ATOM 0 HD2 PRO A 36 25.044 -25.894 2.819 1.00 10.41 H new ATOM 0 HD3 PRO A 36 23.336 -25.692 3.158 1.00 10.41 H new ATOM 534 N GLY A 37 25.321 -20.830 4.136 1.00 9.82 N ATOM 535 CA GLY A 37 26.401 -19.882 4.347 1.00 10.31 C ATOM 536 C GLY A 37 26.397 -18.779 3.309 1.00 9.86 C ATOM 537 O GLY A 37 26.677 -17.619 3.615 1.00 10.21 O ATOM 0 H GLY A 37 24.482 -20.433 3.713 1.00 9.82 H new ATOM 0 HA2 GLY A 37 26.311 -19.445 5.341 1.00 10.31 H new ATOM 0 HA3 GLY A 37 27.356 -20.407 4.315 1.00 10.31 H new ATOM 541 N GLN A 38 26.076 -19.143 2.076 1.00 9.21 N ATOM 542 CA GLN A 38 25.972 -18.179 0.985 1.00 8.88 C ATOM 543 C GLN A 38 24.810 -17.210 1.243 1.00 8.38 C ATOM 544 O GLN A 38 23.854 -17.542 1.948 1.00 8.00 O ATOM 545 CB GLN A 38 25.810 -18.948 -0.336 1.00 8.51 C ATOM 546 CG GLN A 38 24.514 -18.694 -1.087 1.00 8.11 C ATOM 547 CD GLN A 38 23.354 -19.526 -0.586 1.00 8.18 C ATOM 548 OE1 GLN A 38 22.453 -19.894 -1.334 1.00 8.47 O ATOM 549 NE2 GLN A 38 23.364 -19.818 0.686 1.00 8.21 N ATOM 0 H GLN A 38 25.881 -20.106 1.803 1.00 9.21 H new ATOM 0 HA GLN A 38 26.876 -17.574 0.921 1.00 8.88 H new ATOM 0 HB2 GLN A 38 26.644 -18.692 -0.989 1.00 8.51 H new ATOM 0 HB3 GLN A 38 25.885 -20.015 -0.126 1.00 8.51 H new ATOM 0 HG2 GLN A 38 24.256 -17.638 -1.004 1.00 8.11 H new ATOM 0 HG3 GLN A 38 24.670 -18.902 -2.146 1.00 8.11 H new ATOM 0 HE21 GLN A 38 24.130 -19.495 1.277 1.00 8.21 H new ATOM 0 HE22 GLN A 38 22.606 -20.369 1.089 1.00 8.21 H new ATOM 558 N ARG A 39 24.922 -15.999 0.719 1.00 8.53 N ATOM 559 CA ARG A 39 23.934 -14.970 0.955 1.00 8.21 C ATOM 560 C ARG A 39 23.628 -14.249 -0.347 1.00 8.04 C ATOM 561 O ARG A 39 24.377 -13.361 -0.763 1.00 8.70 O ATOM 562 CB ARG A 39 24.479 -13.992 1.998 1.00 8.96 C ATOM 563 CG ARG A 39 23.406 -13.190 2.720 1.00 8.86 C ATOM 564 CD ARG A 39 22.736 -12.167 1.815 1.00 9.10 C ATOM 565 NE ARG A 39 23.675 -11.164 1.314 1.00 10.02 N ATOM 566 CZ ARG A 39 23.319 -10.101 0.591 1.00 10.60 C ATOM 567 NH1 ARG A 39 22.046 -9.874 0.306 1.00 10.42 N1+ ATOM 568 NH2 ARG A 39 24.243 -9.256 0.159 1.00 11.51 N ATOM 0 H ARG A 39 25.697 -15.708 0.123 1.00 8.53 H new ATOM 0 HA ARG A 39 23.011 -15.413 1.328 1.00 8.21 H new ATOM 0 HB2 ARG A 39 25.058 -14.549 2.735 1.00 8.96 H new ATOM 0 HB3 ARG A 39 25.166 -13.301 1.509 1.00 8.96 H new ATOM 0 HG2 ARG A 39 22.652 -13.871 3.114 1.00 8.86 H new ATOM 0 HG3 ARG A 39 23.851 -12.679 3.573 1.00 8.86 H new ATOM 0 HD2 ARG A 39 22.273 -12.680 0.972 1.00 9.10 H new ATOM 0 HD3 ARG A 39 21.936 -11.670 2.364 1.00 9.10 H new ATOM 0 HE ARG A 39 24.664 -11.285 1.531 1.00 10.02 H new ATOM 0 HH11 ARG A 39 21.326 -10.515 0.640 1.00 10.42 H new ATOM 0 HH12 ARG A 39 21.785 -9.058 -0.248 1.00 10.42 H new ATOM 0 HH21 ARG A 39 25.226 -9.418 0.379 1.00 11.51 H new ATOM 0 HH22 ARG A 39 23.972 -8.443 -0.394 1.00 11.51 H new ATOM 582 N PHE A 40 22.527 -14.642 -0.985 1.00 7.31 N ATOM 583 CA PHE A 40 22.139 -14.062 -2.260 1.00 7.34 C ATOM 584 C PHE A 40 21.523 -12.689 -2.067 1.00 7.47 C ATOM 585 O PHE A 40 20.771 -12.450 -1.119 1.00 7.06 O ATOM 586 CB PHE A 40 21.154 -14.975 -2.989 1.00 6.76 C ATOM 587 CG PHE A 40 21.817 -16.119 -3.697 1.00 6.92 C ATOM 588 CD1 PHE A 40 22.160 -17.272 -3.016 1.00 6.93 C ATOM 589 CD2 PHE A 40 22.103 -16.038 -5.051 1.00 7.27 C ATOM 590 CE1 PHE A 40 22.773 -18.317 -3.672 1.00 7.26 C ATOM 591 CE2 PHE A 40 22.717 -17.085 -5.708 1.00 7.50 C ATOM 592 CZ PHE A 40 23.051 -18.224 -5.014 1.00 7.49 C ATOM 0 H PHE A 40 21.891 -15.359 -0.636 1.00 7.31 H new ATOM 0 HA PHE A 40 23.039 -13.957 -2.866 1.00 7.34 H new ATOM 0 HB2 PHE A 40 20.435 -15.369 -2.271 1.00 6.76 H new ATOM 0 HB3 PHE A 40 20.591 -14.386 -3.713 1.00 6.76 H new ATOM 0 HD1 PHE A 40 21.946 -17.354 -1.961 1.00 6.93 H new ATOM 0 HD2 PHE A 40 21.842 -15.144 -5.599 1.00 7.27 H new ATOM 0 HE1 PHE A 40 23.036 -19.213 -3.129 1.00 7.26 H new ATOM 0 HE2 PHE A 40 22.934 -17.010 -6.763 1.00 7.50 H new ATOM 0 HZ PHE A 40 23.532 -19.046 -5.524 1.00 7.49 H new ATOM 602 N ASP A 41 21.863 -11.806 -3.001 1.00 8.18 N ATOM 603 CA ASP A 41 21.423 -10.413 -3.000 1.00 8.62 C ATOM 604 C ASP A 41 19.915 -10.347 -3.148 1.00 8.07 C ATOM 605 O ASP A 41 19.269 -9.428 -2.645 1.00 8.18 O ATOM 606 CB ASP A 41 22.094 -9.683 -4.172 1.00 9.62 C ATOM 607 CG ASP A 41 21.718 -8.216 -4.270 1.00 10.23 C ATOM 608 OD1 ASP A 41 22.371 -7.379 -3.607 1.00 10.61 O ATOM 609 OD2 ASP A 41 20.743 -7.896 -4.984 1.00 10.48 O1- ATOM 0 H ASP A 41 22.461 -12.041 -3.793 1.00 8.18 H new ATOM 0 HA ASP A 41 21.702 -9.939 -2.059 1.00 8.62 H new ATOM 0 HB2 ASP A 41 23.176 -9.766 -4.069 1.00 9.62 H new ATOM 0 HB3 ASP A 41 21.823 -10.182 -5.103 1.00 9.62 H new ATOM 614 N LYS A 42 19.373 -11.335 -3.846 1.00 7.60 N ATOM 615 CA LYS A 42 17.947 -11.419 -4.090 1.00 7.23 C ATOM 616 C LYS A 42 17.574 -12.816 -4.583 1.00 6.69 C ATOM 617 O LYS A 42 18.464 -13.590 -4.932 1.00 6.78 O ATOM 618 CB LYS A 42 17.519 -10.339 -5.097 1.00 8.14 C ATOM 619 CG LYS A 42 18.439 -10.243 -6.304 1.00 8.90 C ATOM 620 CD LYS A 42 18.174 -8.983 -7.106 1.00 9.77 C ATOM 621 CE LYS A 42 19.242 -8.765 -8.167 1.00 10.52 C ATOM 622 NZ LYS A 42 20.607 -8.685 -7.576 1.00 10.91 N1+ ATOM 0 H LYS A 42 19.911 -12.098 -4.257 1.00 7.60 H new ATOM 0 HA LYS A 42 17.414 -11.241 -3.156 1.00 7.23 H new ATOM 0 HB2 LYS A 42 16.505 -10.551 -5.437 1.00 8.14 H new ATOM 0 HB3 LYS A 42 17.491 -9.373 -4.593 1.00 8.14 H new ATOM 0 HG2 LYS A 42 19.477 -10.253 -5.973 1.00 8.90 H new ATOM 0 HG3 LYS A 42 18.299 -11.117 -6.940 1.00 8.90 H new ATOM 0 HD2 LYS A 42 17.196 -9.052 -7.581 1.00 9.77 H new ATOM 0 HD3 LYS A 42 18.143 -8.123 -6.436 1.00 9.77 H new ATOM 0 HE2 LYS A 42 19.207 -9.580 -8.890 1.00 10.52 H new ATOM 0 HE3 LYS A 42 19.029 -7.846 -8.713 1.00 10.52 H new ATOM 0 HZ1 LYS A 42 21.140 -7.920 -8.037 1.00 10.91 H new ATOM 0 HZ2 LYS A 42 20.533 -8.491 -6.557 1.00 10.91 H new ATOM 0 HZ3 LYS A 42 21.102 -9.588 -7.721 1.00 10.91 H new ATOM 636 N PRO A 43 16.277 -13.173 -4.589 1.00 6.27 N ATOM 637 CA PRO A 43 15.792 -14.476 -5.082 1.00 6.04 C ATOM 638 C PRO A 43 16.372 -14.873 -6.454 1.00 6.80 C ATOM 639 O PRO A 43 16.997 -14.061 -7.146 1.00 7.51 O ATOM 640 CB PRO A 43 14.264 -14.267 -5.174 1.00 6.00 C ATOM 641 CG PRO A 43 14.060 -12.795 -5.002 1.00 6.35 C ATOM 642 CD PRO A 43 15.168 -12.362 -4.092 1.00 6.19 C ATOM 0 HA PRO A 43 16.096 -15.290 -4.424 1.00 6.04 H new ATOM 0 HB2 PRO A 43 13.877 -14.609 -6.134 1.00 6.00 H new ATOM 0 HB3 PRO A 43 13.742 -14.830 -4.400 1.00 6.00 H new ATOM 0 HG2 PRO A 43 14.107 -12.274 -5.958 1.00 6.35 H new ATOM 0 HG3 PRO A 43 13.084 -12.578 -4.568 1.00 6.35 H new ATOM 0 HD2 PRO A 43 15.372 -11.294 -4.171 1.00 6.19 H new ATOM 0 HD3 PRO A 43 14.945 -12.568 -3.045 1.00 6.19 H new ATOM 650 N GLY A 44 16.178 -16.129 -6.839 1.00 6.81 N ATOM 651 CA GLY A 44 16.676 -16.592 -8.122 1.00 7.59 C ATOM 652 C GLY A 44 17.028 -18.069 -8.114 1.00 7.56 C ATOM 653 O GLY A 44 16.592 -18.811 -7.233 1.00 7.08 O ATOM 0 H GLY A 44 15.687 -16.833 -6.289 1.00 6.81 H new ATOM 0 HA2 GLY A 44 15.923 -16.406 -8.888 1.00 7.59 H new ATOM 0 HA3 GLY A 44 17.559 -16.014 -8.395 1.00 7.59 H new ATOM 657 N LYS A 45 17.819 -18.491 -9.094 1.00 8.20 N ATOM 658 CA LYS A 45 18.244 -19.879 -9.210 1.00 8.37 C ATOM 659 C LYS A 45 19.686 -20.024 -8.744 1.00 8.15 C ATOM 660 O LYS A 45 20.523 -19.158 -9.004 1.00 8.27 O ATOM 661 CB LYS A 45 18.113 -20.351 -10.659 1.00 9.30 C ATOM 662 CG LYS A 45 18.336 -21.843 -10.842 1.00 9.65 C ATOM 663 CD LYS A 45 19.253 -22.126 -12.005 1.00 10.42 C ATOM 664 CE LYS A 45 18.766 -21.486 -13.299 1.00 11.07 C ATOM 665 NZ LYS A 45 19.643 -21.830 -14.451 1.00 11.68 N1+ ATOM 0 H LYS A 45 18.182 -17.882 -9.827 1.00 8.20 H new ATOM 0 HA LYS A 45 17.604 -20.496 -8.579 1.00 8.37 H new ATOM 0 HB2 LYS A 45 17.119 -20.094 -11.026 1.00 9.30 H new ATOM 0 HB3 LYS A 45 18.830 -19.808 -11.274 1.00 9.30 H new ATOM 0 HG2 LYS A 45 18.762 -22.263 -9.931 1.00 9.65 H new ATOM 0 HG3 LYS A 45 17.378 -22.338 -11.003 1.00 9.65 H new ATOM 0 HD2 LYS A 45 20.252 -21.757 -11.774 1.00 10.42 H new ATOM 0 HD3 LYS A 45 19.336 -23.204 -12.145 1.00 10.42 H new ATOM 0 HE2 LYS A 45 17.748 -21.815 -13.506 1.00 11.07 H new ATOM 0 HE3 LYS A 45 18.732 -20.403 -13.179 1.00 11.07 H new ATOM 0 HZ1 LYS A 45 19.278 -21.376 -15.313 1.00 11.68 H new ATOM 0 HZ2 LYS A 45 20.609 -21.493 -14.264 1.00 11.68 H new ATOM 0 HZ3 LYS A 45 19.655 -22.862 -14.582 1.00 11.68 H new ATOM 679 N SER A 46 19.959 -21.115 -8.044 1.00 8.03 N ATOM 680 CA SER A 46 21.286 -21.392 -7.523 1.00 7.98 C ATOM 681 C SER A 46 22.277 -21.615 -8.664 1.00 8.64 C ATOM 682 O SER A 46 21.931 -22.182 -9.697 1.00 9.20 O ATOM 683 CB SER A 46 21.239 -22.634 -6.625 1.00 8.03 C ATOM 684 OG SER A 46 22.480 -22.858 -5.973 1.00 8.36 O ATOM 0 H SER A 46 19.267 -21.831 -7.822 1.00 8.03 H new ATOM 0 HA SER A 46 21.618 -20.533 -6.939 1.00 7.98 H new ATOM 0 HB2 SER A 46 20.453 -22.515 -5.880 1.00 8.03 H new ATOM 0 HB3 SER A 46 20.980 -23.507 -7.224 1.00 8.03 H new ATOM 0 HG SER A 46 22.340 -23.432 -5.191 1.00 8.36 H new ATOM 690 N PRO A 47 23.515 -21.136 -8.506 1.00 8.70 N ATOM 691 CA PRO A 47 24.593 -21.424 -9.444 1.00 9.38 C ATOM 692 C PRO A 47 25.178 -22.810 -9.207 1.00 9.63 C ATOM 693 O PRO A 47 25.807 -23.407 -10.080 1.00 10.25 O ATOM 694 CB PRO A 47 25.624 -20.342 -9.139 1.00 9.45 C ATOM 695 CG PRO A 47 25.390 -19.959 -7.719 1.00 8.81 C ATOM 696 CD PRO A 47 23.945 -20.247 -7.416 1.00 8.26 C ATOM 0 HA PRO A 47 24.260 -21.421 -10.482 1.00 9.38 H new ATOM 0 HB2 PRO A 47 26.638 -20.714 -9.283 1.00 9.45 H new ATOM 0 HB3 PRO A 47 25.502 -19.485 -9.802 1.00 9.45 H new ATOM 0 HG2 PRO A 47 26.043 -20.525 -7.055 1.00 8.81 H new ATOM 0 HG3 PRO A 47 25.613 -18.904 -7.563 1.00 8.81 H new ATOM 0 HD2 PRO A 47 23.830 -20.726 -6.444 1.00 8.26 H new ATOM 0 HD3 PRO A 47 23.353 -19.332 -7.392 1.00 8.26 H new ATOM 704 N TYR A 48 24.945 -23.299 -7.997 1.00 9.26 N ATOM 705 CA TYR A 48 25.477 -24.568 -7.535 1.00 9.61 C ATOM 706 C TYR A 48 24.565 -25.703 -7.986 1.00 9.96 C ATOM 707 O TYR A 48 25.028 -26.778 -8.356 1.00 10.49 O ATOM 708 CB TYR A 48 25.574 -24.520 -6.009 1.00 9.34 C ATOM 709 CG TYR A 48 26.369 -23.343 -5.496 1.00 9.17 C ATOM 710 CD1 TYR A 48 27.728 -23.232 -5.753 1.00 9.63 C ATOM 711 CD2 TYR A 48 25.755 -22.331 -4.769 1.00 8.69 C ATOM 712 CE1 TYR A 48 28.454 -22.152 -5.297 1.00 9.70 C ATOM 713 CE2 TYR A 48 26.473 -21.244 -4.312 1.00 8.75 C ATOM 714 CZ TYR A 48 27.823 -21.160 -4.578 1.00 9.30 C ATOM 715 OH TYR A 48 28.546 -20.078 -4.128 1.00 9.57 O ATOM 0 H TYR A 48 24.374 -22.818 -7.302 1.00 9.26 H new ATOM 0 HA TYR A 48 26.467 -24.745 -7.956 1.00 9.61 H new ATOM 0 HB2 TYR A 48 24.569 -24.481 -5.589 1.00 9.34 H new ATOM 0 HB3 TYR A 48 26.033 -25.442 -5.652 1.00 9.34 H new ATOM 0 HD1 TYR A 48 28.226 -24.005 -6.320 1.00 9.63 H new ATOM 0 HD2 TYR A 48 24.698 -22.396 -4.558 1.00 8.69 H new ATOM 0 HE1 TYR A 48 29.512 -22.084 -5.502 1.00 9.70 H new ATOM 0 HE2 TYR A 48 25.980 -20.465 -3.750 1.00 8.75 H new ATOM 0 HH TYR A 48 27.954 -19.469 -3.639 1.00 9.57 H new ATOM 725 N MET A 49 23.263 -25.458 -7.921 1.00 9.74 N ATOM 726 CA MET A 49 22.266 -26.389 -8.417 1.00 10.23 C ATOM 727 C MET A 49 21.253 -25.653 -9.260 1.00 10.20 C ATOM 728 O MET A 49 20.948 -24.506 -8.961 1.00 9.87 O ATOM 729 CB MET A 49 21.539 -27.087 -7.277 1.00 10.28 C ATOM 730 CG MET A 49 22.364 -28.150 -6.605 1.00 10.38 C ATOM 731 SD MET A 49 22.501 -27.943 -4.819 1.00 10.09 S ATOM 732 CE MET A 49 23.025 -26.246 -4.722 1.00 9.55 C ATOM 0 H MET A 49 22.871 -24.605 -7.521 1.00 9.74 H new ATOM 0 HA MET A 49 22.784 -27.140 -9.014 1.00 10.23 H new ATOM 0 HB2 MET A 49 21.243 -26.344 -6.536 1.00 10.28 H new ATOM 0 HB3 MET A 49 20.623 -27.537 -7.661 1.00 10.28 H new ATOM 0 HG2 MET A 49 21.925 -29.125 -6.816 1.00 10.38 H new ATOM 0 HG3 MET A 49 23.364 -28.150 -7.039 1.00 10.38 H new ATOM 0 HE1 MET A 49 22.933 -25.895 -3.694 1.00 9.55 H new ATOM 0 HE2 MET A 49 24.064 -26.167 -5.041 1.00 9.55 H new ATOM 0 HE3 MET A 49 22.399 -25.634 -5.372 1.00 9.55 H new ATOM 742 N ASP A 50 20.702 -26.284 -10.280 1.00 10.69 N ATOM 743 CA ASP A 50 19.651 -25.635 -11.053 1.00 10.83 C ATOM 744 C ASP A 50 18.325 -25.691 -10.313 1.00 10.64 C ATOM 745 O ASP A 50 17.319 -26.193 -10.812 1.00 11.23 O ATOM 746 CB ASP A 50 19.523 -26.207 -12.467 1.00 11.76 C ATOM 747 CG ASP A 50 19.424 -27.718 -12.503 1.00 12.21 C ATOM 748 OD1 ASP A 50 20.462 -28.395 -12.356 1.00 12.33 O1- ATOM 749 OD2 ASP A 50 18.297 -28.237 -12.657 1.00 12.54 O ATOM 0 H ASP A 50 20.954 -27.222 -10.590 1.00 10.69 H new ATOM 0 HA ASP A 50 19.938 -24.590 -11.167 1.00 10.83 H new ATOM 0 HB2 ASP A 50 18.640 -25.782 -12.943 1.00 11.76 H new ATOM 0 HB3 ASP A 50 20.385 -25.894 -13.056 1.00 11.76 H new ATOM 754 N MET A 51 18.334 -25.136 -9.121 1.00 9.87 N ATOM 755 CA MET A 51 17.138 -25.024 -8.320 1.00 9.64 C ATOM 756 C MET A 51 17.022 -23.615 -7.771 1.00 8.84 C ATOM 757 O MET A 51 18.025 -22.991 -7.416 1.00 8.36 O ATOM 758 CB MET A 51 17.119 -26.054 -7.179 1.00 9.70 C ATOM 759 CG MET A 51 18.368 -26.110 -6.303 1.00 9.43 C ATOM 760 SD MET A 51 18.122 -27.241 -4.919 1.00 9.38 S ATOM 761 CE MET A 51 17.305 -26.169 -3.732 1.00 9.04 C ATOM 0 H MET A 51 19.170 -24.751 -8.681 1.00 9.87 H new ATOM 0 HA MET A 51 16.280 -25.235 -8.958 1.00 9.64 H new ATOM 0 HB2 MET A 51 16.261 -25.843 -6.540 1.00 9.70 H new ATOM 0 HB3 MET A 51 16.959 -27.042 -7.611 1.00 9.70 H new ATOM 0 HG2 MET A 51 19.222 -26.435 -6.898 1.00 9.43 H new ATOM 0 HG3 MET A 51 18.601 -25.113 -5.928 1.00 9.43 H new ATOM 0 HE1 MET A 51 17.359 -26.617 -2.740 1.00 9.04 H new ATOM 0 HE2 MET A 51 17.799 -25.197 -3.719 1.00 9.04 H new ATOM 0 HE3 MET A 51 16.260 -26.041 -4.016 1.00 9.04 H new ATOM 771 N PRO A 52 15.798 -23.073 -7.755 1.00 8.77 N ATOM 772 CA PRO A 52 15.525 -21.769 -7.159 1.00 8.04 C ATOM 773 C PRO A 52 15.874 -21.783 -5.683 1.00 7.35 C ATOM 774 O PRO A 52 15.541 -22.739 -4.976 1.00 7.56 O ATOM 775 CB PRO A 52 14.016 -21.574 -7.358 1.00 8.35 C ATOM 776 CG PRO A 52 13.476 -22.936 -7.630 1.00 9.16 C ATOM 777 CD PRO A 52 14.581 -23.691 -8.311 1.00 9.51 C ATOM 0 HA PRO A 52 16.110 -20.967 -7.609 1.00 8.04 H new ATOM 0 HB2 PRO A 52 13.555 -21.138 -6.471 1.00 8.35 H new ATOM 0 HB3 PRO A 52 13.813 -20.897 -8.188 1.00 8.35 H new ATOM 0 HG2 PRO A 52 13.179 -23.430 -6.705 1.00 9.16 H new ATOM 0 HG3 PRO A 52 12.590 -22.885 -8.263 1.00 9.16 H new ATOM 0 HD2 PRO A 52 14.535 -24.758 -8.093 1.00 9.51 H new ATOM 0 HD3 PRO A 52 14.534 -23.585 -9.395 1.00 9.51 H new ATOM 785 N LEU A 53 16.570 -20.746 -5.222 1.00 6.71 N ATOM 786 CA LEU A 53 16.968 -20.678 -3.824 1.00 6.20 C ATOM 787 C LEU A 53 15.751 -20.777 -2.923 1.00 5.97 C ATOM 788 O LEU A 53 14.633 -20.452 -3.334 1.00 6.05 O ATOM 789 CB LEU A 53 17.741 -19.396 -3.479 1.00 5.79 C ATOM 790 CG LEU A 53 19.168 -19.272 -4.026 1.00 6.23 C ATOM 791 CD1 LEU A 53 19.850 -20.626 -4.095 1.00 6.10 C ATOM 792 CD2 LEU A 53 19.180 -18.583 -5.378 1.00 6.57 C ATOM 0 H LEU A 53 16.865 -19.952 -5.790 1.00 6.71 H new ATOM 0 HA LEU A 53 17.637 -21.522 -3.658 1.00 6.20 H new ATOM 0 HB2 LEU A 53 17.164 -18.545 -3.842 1.00 5.79 H new ATOM 0 HB3 LEU A 53 17.786 -19.310 -2.393 1.00 5.79 H new ATOM 0 HG LEU A 53 19.735 -18.651 -3.332 1.00 6.23 H new ATOM 0 HD11 LEU A 53 20.860 -20.505 -4.487 1.00 6.10 H new ATOM 0 HD12 LEU A 53 19.898 -21.061 -3.097 1.00 6.10 H new ATOM 0 HD13 LEU A 53 19.283 -21.286 -4.751 1.00 6.10 H new ATOM 0 HD21 LEU A 53 20.206 -18.510 -5.740 1.00 6.57 H new ATOM 0 HD22 LEU A 53 18.586 -19.161 -6.086 1.00 6.57 H new ATOM 0 HD23 LEU A 53 18.757 -17.583 -5.281 1.00 6.57 H new ATOM 804 N ILE A 54 15.972 -21.186 -1.698 1.00 5.92 N ATOM 805 CA ILE A 54 14.890 -21.347 -0.759 1.00 5.98 C ATOM 806 C ILE A 54 14.811 -20.140 0.145 1.00 5.33 C ATOM 807 O ILE A 54 15.817 -19.688 0.700 1.00 5.16 O ATOM 808 CB ILE A 54 15.066 -22.619 0.082 1.00 6.77 C ATOM 809 CG1 ILE A 54 14.988 -23.851 -0.823 1.00 7.56 C ATOM 810 CG2 ILE A 54 14.026 -22.702 1.195 1.00 7.04 C ATOM 811 CD1 ILE A 54 13.692 -23.963 -1.595 1.00 7.89 C ATOM 0 H ILE A 54 16.894 -21.414 -1.327 1.00 5.92 H new ATOM 0 HA ILE A 54 13.963 -21.441 -1.324 1.00 5.98 H new ATOM 0 HB ILE A 54 16.047 -22.584 0.556 1.00 6.77 H new ATOM 0 HG12 ILE A 54 15.819 -23.825 -1.528 1.00 7.56 H new ATOM 0 HG13 ILE A 54 15.115 -24.746 -0.214 1.00 7.56 H new ATOM 0 HG21 ILE A 54 14.181 -23.615 1.770 1.00 7.04 H new ATOM 0 HG22 ILE A 54 14.126 -21.838 1.852 1.00 7.04 H new ATOM 0 HG23 ILE A 54 13.027 -22.712 0.759 1.00 7.04 H new ATOM 0 HD11 ILE A 54 13.713 -24.861 -2.213 1.00 7.89 H new ATOM 0 HD12 ILE A 54 12.857 -24.022 -0.897 1.00 7.89 H new ATOM 0 HD13 ILE A 54 13.571 -23.087 -2.232 1.00 7.89 H new ATOM 823 N PRO A 55 13.621 -19.577 0.271 1.00 5.13 N ATOM 824 CA PRO A 55 13.412 -18.421 1.103 1.00 4.65 C ATOM 825 C PRO A 55 13.235 -18.777 2.576 1.00 5.10 C ATOM 826 O PRO A 55 12.583 -19.760 2.933 1.00 5.77 O ATOM 827 CB PRO A 55 12.151 -17.809 0.508 1.00 4.51 C ATOM 828 CG PRO A 55 11.378 -18.966 -0.025 1.00 5.22 C ATOM 829 CD PRO A 55 12.388 -20.008 -0.416 1.00 5.58 C ATOM 0 HA PRO A 55 14.266 -17.743 1.106 1.00 4.65 H new ATOM 0 HB2 PRO A 55 11.581 -17.267 1.263 1.00 4.51 H new ATOM 0 HB3 PRO A 55 12.392 -17.097 -0.282 1.00 4.51 H new ATOM 0 HG2 PRO A 55 10.691 -19.354 0.727 1.00 5.22 H new ATOM 0 HG3 PRO A 55 10.775 -18.668 -0.883 1.00 5.22 H new ATOM 0 HD2 PRO A 55 12.080 -21.004 -0.097 1.00 5.58 H new ATOM 0 HD3 PRO A 55 12.525 -20.047 -1.497 1.00 5.58 H new ATOM 837 N VAL A 56 13.860 -17.963 3.409 1.00 5.00 N ATOM 838 CA VAL A 56 13.811 -18.092 4.861 1.00 5.69 C ATOM 839 C VAL A 56 12.382 -18.078 5.400 1.00 5.96 C ATOM 840 O VAL A 56 11.477 -17.535 4.782 1.00 5.52 O ATOM 841 CB VAL A 56 14.606 -16.947 5.502 1.00 5.77 C ATOM 842 CG1 VAL A 56 16.074 -17.023 5.113 1.00 5.82 C ATOM 843 CG2 VAL A 56 13.995 -15.640 5.076 1.00 5.28 C ATOM 0 H VAL A 56 14.428 -17.177 3.092 1.00 5.00 H new ATOM 0 HA VAL A 56 14.250 -19.056 5.118 1.00 5.69 H new ATOM 0 HB VAL A 56 14.559 -17.029 6.588 1.00 5.77 H new ATOM 0 HG11 VAL A 56 16.617 -16.201 5.579 1.00 5.82 H new ATOM 0 HG12 VAL A 56 16.491 -17.972 5.451 1.00 5.82 H new ATOM 0 HG13 VAL A 56 16.167 -16.951 4.029 1.00 5.82 H new ATOM 0 HG21 VAL A 56 14.550 -14.816 5.524 1.00 5.28 H new ATOM 0 HG22 VAL A 56 14.035 -15.556 3.990 1.00 5.28 H new ATOM 0 HG23 VAL A 56 12.957 -15.600 5.405 1.00 5.28 H new ATOM 853 N TYR A 57 12.268 -18.650 6.588 1.00 6.83 N ATOM 854 CA TYR A 57 11.028 -18.858 7.373 1.00 7.44 C ATOM 855 C TYR A 57 9.706 -18.555 6.655 1.00 7.10 C ATOM 856 O TYR A 57 8.965 -19.485 6.330 1.00 7.48 O ATOM 857 CB TYR A 57 11.123 -18.031 8.655 1.00 7.84 C ATOM 858 CG TYR A 57 12.164 -16.931 8.565 1.00 7.40 C ATOM 859 CD1 TYR A 57 11.853 -15.705 7.995 1.00 6.79 C ATOM 860 CD2 TYR A 57 13.448 -17.112 9.059 1.00 7.77 C ATOM 861 CE1 TYR A 57 12.791 -14.697 7.913 1.00 6.66 C ATOM 862 CE2 TYR A 57 14.386 -16.114 8.989 1.00 7.62 C ATOM 863 CZ TYR A 57 14.083 -14.931 8.383 1.00 7.11 C ATOM 864 OH TYR A 57 14.997 -13.903 8.331 1.00 7.23 O ATOM 0 H TYR A 57 13.087 -19.012 7.076 1.00 6.83 H new ATOM 0 HA TYR A 57 10.983 -19.930 7.567 1.00 7.44 H new ATOM 0 HB2 TYR A 57 10.150 -17.589 8.870 1.00 7.84 H new ATOM 0 HB3 TYR A 57 11.366 -18.688 9.490 1.00 7.84 H new ATOM 0 HD1 TYR A 57 10.859 -15.537 7.609 1.00 6.79 H new ATOM 0 HD2 TYR A 57 13.714 -18.058 9.508 1.00 7.77 H new ATOM 0 HE1 TYR A 57 12.528 -13.739 7.490 1.00 6.66 H new ATOM 0 HE2 TYR A 57 15.367 -16.266 9.415 1.00 7.62 H new ATOM 0 HH TYR A 57 15.855 -14.209 8.693 1.00 7.23 H new ATOM 874 N GLU A 58 9.395 -17.295 6.435 1.00 6.59 N ATOM 875 CA GLU A 58 8.108 -16.899 5.870 1.00 6.41 C ATOM 876 C GLU A 58 7.921 -17.535 4.503 1.00 6.15 C ATOM 877 O GLU A 58 6.811 -17.904 4.111 1.00 6.62 O ATOM 878 CB GLU A 58 8.080 -15.384 5.786 1.00 5.89 C ATOM 879 CG GLU A 58 8.292 -14.779 4.414 1.00 5.18 C ATOM 880 CD GLU A 58 8.098 -13.274 4.470 1.00 5.25 C ATOM 881 OE1 GLU A 58 7.125 -12.808 5.079 1.00 5.25 O ATOM 882 OE2 GLU A 58 8.921 -12.554 3.885 1.00 5.61 O1- ATOM 0 H GLU A 58 10.019 -16.514 6.639 1.00 6.59 H new ATOM 0 HA GLU A 58 7.287 -17.241 6.500 1.00 6.41 H new ATOM 0 HB2 GLU A 58 7.118 -15.039 6.166 1.00 5.89 H new ATOM 0 HB3 GLU A 58 8.846 -14.991 6.454 1.00 5.89 H new ATOM 0 HG2 GLU A 58 9.296 -15.011 4.057 1.00 5.18 H new ATOM 0 HG3 GLU A 58 7.592 -15.217 3.703 1.00 5.18 H new ATOM 889 N GLU A 59 9.046 -17.685 3.837 1.00 5.59 N ATOM 890 CA GLU A 59 9.164 -18.318 2.531 1.00 5.52 C ATOM 891 C GLU A 59 8.183 -17.742 1.513 1.00 5.43 C ATOM 892 O GLU A 59 7.039 -18.185 1.367 1.00 6.06 O ATOM 893 CB GLU A 59 9.082 -19.866 2.602 1.00 6.40 C ATOM 894 CG GLU A 59 7.749 -20.446 3.062 1.00 6.94 C ATOM 895 CD GLU A 59 7.741 -21.960 3.075 1.00 7.89 C ATOM 896 OE1 GLU A 59 7.635 -22.567 1.991 1.00 8.12 O ATOM 897 OE2 GLU A 59 7.839 -22.556 4.170 1.00 8.58 O1- ATOM 0 H GLU A 59 9.941 -17.358 4.201 1.00 5.59 H new ATOM 0 HA GLU A 59 10.166 -18.079 2.175 1.00 5.52 H new ATOM 0 HB2 GLU A 59 9.308 -20.267 1.614 1.00 6.40 H new ATOM 0 HB3 GLU A 59 9.862 -20.220 3.276 1.00 6.40 H new ATOM 0 HG2 GLU A 59 7.524 -20.077 4.063 1.00 6.94 H new ATOM 0 HG3 GLU A 59 6.956 -20.089 2.405 1.00 6.94 H new ATOM 1187 N ARG A 80 1.647 4.066 -4.266 1.00 8.26 N ATOM 1188 CA ARG A 80 3.007 3.617 -4.496 1.00 8.04 C ATOM 1189 C ARG A 80 3.830 3.690 -3.237 1.00 7.16 C ATOM 1190 O ARG A 80 3.816 4.699 -2.555 1.00 6.61 O ATOM 1191 CB ARG A 80 3.673 4.445 -5.584 1.00 8.39 C ATOM 1192 CG ARG A 80 3.003 4.289 -6.925 1.00 8.96 C ATOM 1193 CD ARG A 80 3.588 5.221 -7.973 1.00 9.63 C ATOM 1194 NE ARG A 80 3.139 6.601 -7.798 1.00 10.25 N ATOM 1195 CZ ARG A 80 3.603 7.629 -8.507 1.00 10.94 C ATOM 1196 NH1 ARG A 80 4.569 7.445 -9.398 1.00 11.11 N1+ ATOM 1197 NH2 ARG A 80 3.098 8.842 -8.332 1.00 11.64 N ATOM 0 HA ARG A 80 2.953 2.577 -4.818 1.00 8.04 H new ATOM 0 HB2 ARG A 80 3.659 5.496 -5.295 1.00 8.39 H new ATOM 0 HB3 ARG A 80 4.719 4.152 -5.669 1.00 8.39 H new ATOM 0 HG2 ARG A 80 3.105 3.257 -7.262 1.00 8.96 H new ATOM 0 HG3 ARG A 80 1.936 4.487 -6.821 1.00 8.96 H new ATOM 0 HD2 ARG A 80 4.676 5.186 -7.921 1.00 9.63 H new ATOM 0 HD3 ARG A 80 3.305 4.872 -8.966 1.00 9.63 H new ATOM 0 HE ARG A 80 2.428 6.788 -7.091 1.00 10.25 H new ATOM 0 HH11 ARG A 80 4.959 6.514 -9.542 1.00 11.11 H new ATOM 0 HH12 ARG A 80 4.921 8.235 -9.939 1.00 11.11 H new ATOM 0 HH21 ARG A 80 2.352 8.991 -7.653 1.00 11.64 H new ATOM 0 HH22 ARG A 80 3.456 9.627 -8.877 1.00 11.64 H new ATOM 1211 N THR A 81 4.541 2.609 -2.946 1.00 7.24 N ATOM 1212 CA THR A 81 5.426 2.543 -1.794 1.00 6.59 C ATOM 1213 C THR A 81 6.512 1.495 -1.994 1.00 6.82 C ATOM 1214 O THR A 81 6.495 0.732 -2.962 1.00 7.73 O ATOM 1215 CB THR A 81 4.689 2.198 -0.485 1.00 6.98 C ATOM 1216 OG1 THR A 81 4.072 0.909 -0.588 1.00 8.00 O ATOM 1217 CG2 THR A 81 3.643 3.232 -0.131 1.00 7.05 C ATOM 0 H THR A 81 4.520 1.754 -3.502 1.00 7.24 H new ATOM 0 HA THR A 81 5.856 3.541 -1.708 1.00 6.59 H new ATOM 0 HB THR A 81 5.434 2.189 0.310 1.00 6.98 H new ATOM 0 HG1 THR A 81 3.946 0.534 0.309 1.00 8.00 H new ATOM 0 HG21 THR A 81 3.150 2.947 0.798 1.00 7.05 H new ATOM 0 HG22 THR A 81 4.120 4.204 -0.005 1.00 7.05 H new ATOM 0 HG23 THR A 81 2.904 3.291 -0.930 1.00 7.05 H new ATOM 1225 N ALA A 82 7.463 1.510 -1.083 1.00 6.18 N ATOM 1226 CA ALA A 82 8.467 0.477 -0.945 1.00 6.65 C ATOM 1227 C ALA A 82 8.953 0.507 0.487 1.00 6.65 C ATOM 1228 O ALA A 82 9.087 1.581 1.066 1.00 5.88 O ATOM 1229 CB ALA A 82 9.618 0.697 -1.905 1.00 6.36 C ATOM 0 H ALA A 82 7.561 2.261 -0.400 1.00 6.18 H new ATOM 0 HA ALA A 82 8.038 -0.496 -1.186 1.00 6.65 H new ATOM 0 HB1 ALA A 82 10.355 -0.095 -1.777 1.00 6.36 H new ATOM 0 HB2 ALA A 82 9.245 0.683 -2.929 1.00 6.36 H new ATOM 0 HB3 ALA A 82 10.083 1.662 -1.701 1.00 6.36 H new ATOM 1235 N GLU A 83 9.201 -0.643 1.064 1.00 7.70 N ATOM 1236 CA GLU A 83 9.495 -0.709 2.477 1.00 8.10 C ATOM 1237 C GLU A 83 10.989 -0.754 2.712 1.00 7.90 C ATOM 1238 O GLU A 83 11.718 -1.452 2.005 1.00 8.21 O ATOM 1239 CB GLU A 83 8.821 -1.923 3.102 1.00 9.47 C ATOM 1240 CG GLU A 83 8.954 -1.984 4.609 1.00 10.14 C ATOM 1241 CD GLU A 83 8.260 -3.189 5.192 1.00 11.52 C ATOM 1242 OE1 GLU A 83 8.804 -4.307 5.063 1.00 12.06 O1- ATOM 1243 OE2 GLU A 83 7.173 -3.017 5.782 1.00 12.15 O ATOM 0 H GLU A 83 9.206 -1.542 0.582 1.00 7.70 H new ATOM 0 HA GLU A 83 9.102 0.190 2.951 1.00 8.10 H new ATOM 0 HB2 GLU A 83 7.763 -1.916 2.839 1.00 9.47 H new ATOM 0 HB3 GLU A 83 9.250 -2.828 2.671 1.00 9.47 H new ATOM 0 HG2 GLU A 83 10.010 -2.009 4.878 1.00 10.14 H new ATOM 0 HG3 GLU A 83 8.535 -1.078 5.046 1.00 10.14 H new ATOM 1250 N VAL A 84 11.437 0.016 3.687 1.00 7.58 N ATOM 1251 CA VAL A 84 12.829 0.016 4.079 1.00 7.50 C ATOM 1252 C VAL A 84 13.255 -1.342 4.595 1.00 8.74 C ATOM 1253 O VAL A 84 12.549 -1.980 5.380 1.00 9.71 O ATOM 1254 CB VAL A 84 13.114 1.069 5.160 1.00 7.28 C ATOM 1255 CG1 VAL A 84 14.536 0.927 5.674 1.00 7.49 C ATOM 1256 CG2 VAL A 84 12.881 2.459 4.607 1.00 6.28 C ATOM 0 H VAL A 84 10.849 0.653 4.224 1.00 7.58 H new ATOM 0 HA VAL A 84 13.402 0.260 3.185 1.00 7.50 H new ATOM 0 HB VAL A 84 12.432 0.910 5.995 1.00 7.28 H new ATOM 0 HG11 VAL A 84 14.723 1.680 6.439 1.00 7.49 H new ATOM 0 HG12 VAL A 84 14.671 -0.066 6.102 1.00 7.49 H new ATOM 0 HG13 VAL A 84 15.236 1.065 4.850 1.00 7.49 H new ATOM 0 HG21 VAL A 84 13.086 3.198 5.382 1.00 6.28 H new ATOM 0 HG22 VAL A 84 13.544 2.629 3.759 1.00 6.28 H new ATOM 0 HG23 VAL A 84 11.845 2.552 4.282 1.00 6.28 H new ATOM 1266 N LYS A 85 14.406 -1.774 4.118 1.00 8.82 N ATOM 1267 CA LYS A 85 15.038 -2.992 4.584 1.00 10.03 C ATOM 1268 C LYS A 85 16.494 -3.008 4.165 1.00 10.02 C ATOM 1269 O LYS A 85 16.850 -2.557 3.076 1.00 9.25 O ATOM 1270 CB LYS A 85 14.280 -4.247 4.132 1.00 10.75 C ATOM 1271 CG LYS A 85 13.577 -4.143 2.795 1.00 10.58 C ATOM 1272 CD LYS A 85 14.548 -4.141 1.638 1.00 11.03 C ATOM 1273 CE LYS A 85 14.525 -2.807 0.932 1.00 10.50 C ATOM 1274 NZ LYS A 85 15.380 -2.808 -0.286 1.00 11.02 N1+ ATOM 0 H LYS A 85 14.932 -1.287 3.392 1.00 8.82 H new ATOM 0 HA LYS A 85 15.000 -3.007 5.673 1.00 10.03 H new ATOM 0 HB2 LYS A 85 14.984 -5.078 4.088 1.00 10.75 H new ATOM 0 HB3 LYS A 85 13.540 -4.496 4.893 1.00 10.75 H new ATOM 0 HG2 LYS A 85 12.885 -4.978 2.685 1.00 10.58 H new ATOM 0 HG3 LYS A 85 12.982 -3.230 2.769 1.00 10.58 H new ATOM 0 HD2 LYS A 85 15.555 -4.350 2.000 1.00 11.03 H new ATOM 0 HD3 LYS A 85 14.290 -4.935 0.937 1.00 11.03 H new ATOM 0 HE2 LYS A 85 13.500 -2.560 0.656 1.00 10.50 H new ATOM 0 HE3 LYS A 85 14.867 -2.029 1.615 1.00 10.50 H new ATOM 0 HZ1 LYS A 85 15.655 -1.832 -0.518 1.00 11.02 H new ATOM 0 HZ2 LYS A 85 16.234 -3.376 -0.110 1.00 11.02 H new ATOM 0 HZ3 LYS A 85 14.850 -3.217 -1.082 1.00 11.02 H new ATOM 1288 N LEU A 86 17.333 -3.479 5.073 1.00 10.96 N ATOM 1289 CA LEU A 86 18.775 -3.429 4.891 1.00 11.21 C ATOM 1290 C LEU A 86 19.228 -4.419 3.834 1.00 11.85 C ATOM 1291 O LEU A 86 18.504 -5.352 3.491 1.00 12.43 O ATOM 1292 CB LEU A 86 19.522 -3.690 6.206 1.00 12.08 C ATOM 1293 CG LEU A 86 19.360 -2.610 7.280 1.00 11.90 C ATOM 1294 CD1 LEU A 86 18.021 -2.736 7.988 1.00 11.97 C ATOM 1295 CD2 LEU A 86 20.502 -2.671 8.281 1.00 12.76 C ATOM 0 H LEU A 86 17.037 -3.904 5.952 1.00 10.96 H new ATOM 0 HA LEU A 86 19.018 -2.421 4.555 1.00 11.21 H new ATOM 0 HB2 LEU A 86 19.180 -4.640 6.616 1.00 12.08 H new ATOM 0 HB3 LEU A 86 20.583 -3.802 5.985 1.00 12.08 H new ATOM 0 HG LEU A 86 19.388 -1.640 6.784 1.00 11.90 H new ATOM 0 HD11 LEU A 86 17.935 -1.956 8.745 1.00 11.97 H new ATOM 0 HD12 LEU A 86 17.214 -2.629 7.263 1.00 11.97 H new ATOM 0 HD13 LEU A 86 17.952 -3.714 8.465 1.00 11.97 H new ATOM 0 HD21 LEU A 86 20.367 -1.895 9.035 1.00 12.76 H new ATOM 0 HD22 LEU A 86 20.511 -3.648 8.764 1.00 12.76 H new ATOM 0 HD23 LEU A 86 21.448 -2.513 7.764 1.00 12.76 H new ATOM 1307 N GLY A 87 20.441 -4.223 3.345 1.00 11.89 N ATOM 1308 CA GLY A 87 20.943 -5.049 2.267 1.00 12.65 C ATOM 1309 C GLY A 87 22.243 -4.535 1.706 1.00 12.97 C ATOM 1310 O GLY A 87 22.424 -4.464 0.491 1.00 13.25 O ATOM 0 H GLY A 87 21.088 -3.507 3.675 1.00 11.89 H new ATOM 0 HA2 GLY A 87 21.084 -6.067 2.629 1.00 12.65 H new ATOM 0 HA3 GLY A 87 20.200 -5.094 1.471 1.00 12.65 H new ATOM 1389 N GLU A 93 26.053 -1.108 7.335 1.00 12.87 N ATOM 1390 CA GLU A 93 24.622 -1.362 7.360 1.00 12.37 C ATOM 1391 C GLU A 93 23.864 -0.151 6.851 1.00 11.13 C ATOM 1392 O GLU A 93 23.973 0.939 7.414 1.00 10.78 O ATOM 1393 CB GLU A 93 24.145 -1.769 8.748 1.00 13.03 C ATOM 1394 CG GLU A 93 24.008 -3.272 8.909 1.00 13.80 C ATOM 1395 CD GLU A 93 23.948 -3.695 10.361 1.00 14.57 C ATOM 1396 OE1 GLU A 93 25.018 -3.879 10.975 1.00 14.92 O1- ATOM 1397 OE2 GLU A 93 22.831 -3.830 10.904 1.00 14.94 O ATOM 0 HA GLU A 93 24.418 -2.202 6.696 1.00 12.37 H new ATOM 0 HB2 GLU A 93 24.846 -1.391 9.493 1.00 13.03 H new ATOM 0 HB3 GLU A 93 23.183 -1.298 8.948 1.00 13.03 H new ATOM 0 HG2 GLU A 93 23.106 -3.608 8.398 1.00 13.80 H new ATOM 0 HG3 GLU A 93 24.851 -3.765 8.425 1.00 13.80 H new ATOM 1404 N ARG A 94 23.121 -0.330 5.767 1.00 10.57 N ATOM 1405 CA ARG A 94 22.379 0.768 5.178 1.00 9.39 C ATOM 1406 C ARG A 94 20.933 0.358 4.950 1.00 8.96 C ATOM 1407 O ARG A 94 20.640 -0.829 4.810 1.00 9.64 O ATOM 1408 CB ARG A 94 23.009 1.215 3.852 1.00 9.13 C ATOM 1409 CG ARG A 94 24.489 1.574 3.945 1.00 9.07 C ATOM 1410 CD ARG A 94 24.714 2.874 4.704 1.00 9.14 C ATOM 1411 NE ARG A 94 26.128 3.261 4.768 1.00 9.49 N ATOM 1412 CZ ARG A 94 26.869 3.641 3.719 1.00 9.84 C ATOM 1413 NH1 ARG A 94 26.407 3.540 2.476 1.00 9.96 N1+ ATOM 1414 NH2 ARG A 94 28.102 4.090 3.916 1.00 10.27 N ATOM 0 H ARG A 94 23.019 -1.222 5.282 1.00 10.57 H new ATOM 0 HA ARG A 94 22.412 1.608 5.872 1.00 9.39 H new ATOM 0 HB2 ARG A 94 22.887 0.418 3.119 1.00 9.13 H new ATOM 0 HB3 ARG A 94 22.461 2.079 3.477 1.00 9.13 H new ATOM 0 HG2 ARG A 94 25.027 0.767 4.441 1.00 9.07 H new ATOM 0 HG3 ARG A 94 24.904 1.664 2.941 1.00 9.07 H new ATOM 0 HD2 ARG A 94 24.146 3.671 4.225 1.00 9.14 H new ATOM 0 HD3 ARG A 94 24.325 2.769 5.717 1.00 9.14 H new ATOM 0 HE ARG A 94 26.581 3.239 5.681 1.00 9.49 H new ATOM 0 HH11 ARG A 94 25.472 3.168 2.308 1.00 9.96 H new ATOM 0 HH12 ARG A 94 26.987 3.835 1.691 1.00 9.96 H new ATOM 0 HH21 ARG A 94 28.480 4.144 4.862 1.00 10.27 H new ATOM 0 HH22 ARG A 94 28.672 4.381 3.122 1.00 10.27 H new ATOM 1428 N LEU A 95 20.044 1.329 4.908 1.00 7.97 N ATOM 1429 CA LEU A 95 18.644 1.075 4.618 1.00 7.54 C ATOM 1430 C LEU A 95 18.424 1.202 3.110 1.00 6.99 C ATOM 1431 O LEU A 95 18.579 2.275 2.540 1.00 6.27 O ATOM 1432 CB LEU A 95 17.768 2.099 5.356 1.00 6.93 C ATOM 1433 CG LEU A 95 17.824 2.098 6.897 1.00 7.79 C ATOM 1434 CD1 LEU A 95 17.647 0.696 7.451 1.00 8.88 C ATOM 1435 CD2 LEU A 95 19.115 2.722 7.414 1.00 7.89 C ATOM 0 H LEU A 95 20.267 2.311 5.072 1.00 7.97 H new ATOM 0 HA LEU A 95 18.373 0.073 4.950 1.00 7.54 H new ATOM 0 HB2 LEU A 95 18.047 3.094 5.009 1.00 6.93 H new ATOM 0 HB3 LEU A 95 16.733 1.936 5.056 1.00 6.93 H new ATOM 0 HG LEU A 95 16.995 2.712 7.250 1.00 7.79 H new ATOM 0 HD11 LEU A 95 17.691 0.727 8.540 1.00 8.88 H new ATOM 0 HD12 LEU A 95 16.681 0.300 7.138 1.00 8.88 H new ATOM 0 HD13 LEU A 95 18.442 0.053 7.074 1.00 8.88 H new ATOM 0 HD21 LEU A 95 19.117 2.703 8.504 1.00 7.89 H new ATOM 0 HD22 LEU A 95 19.968 2.156 7.039 1.00 7.89 H new ATOM 0 HD23 LEU A 95 19.184 3.754 7.069 1.00 7.89 H new ATOM 1447 N LEU A 96 18.092 0.097 2.457 1.00 7.59 N ATOM 1448 CA LEU A 96 17.959 0.099 1.004 1.00 7.52 C ATOM 1449 C LEU A 96 16.553 0.488 0.586 1.00 6.76 C ATOM 1450 O LEU A 96 15.574 -0.077 1.069 1.00 6.96 O ATOM 1451 CB LEU A 96 18.308 -1.277 0.416 1.00 8.83 C ATOM 1452 CG LEU A 96 19.797 -1.547 0.169 1.00 9.65 C ATOM 1453 CD1 LEU A 96 20.378 -0.525 -0.800 1.00 9.37 C ATOM 1454 CD2 LEU A 96 20.573 -1.551 1.477 1.00 9.78 C ATOM 0 H LEU A 96 17.911 -0.803 2.902 1.00 7.59 H new ATOM 0 HA LEU A 96 18.660 0.837 0.615 1.00 7.52 H new ATOM 0 HB2 LEU A 96 17.927 -2.045 1.090 1.00 8.83 H new ATOM 0 HB3 LEU A 96 17.777 -1.391 -0.529 1.00 8.83 H new ATOM 0 HG LEU A 96 19.890 -2.535 -0.282 1.00 9.65 H new ATOM 0 HD11 LEU A 96 21.435 -0.736 -0.961 1.00 9.37 H new ATOM 0 HD12 LEU A 96 19.848 -0.583 -1.751 1.00 9.37 H new ATOM 0 HD13 LEU A 96 20.267 0.476 -0.383 1.00 9.37 H new ATOM 0 HD21 LEU A 96 21.626 -1.745 1.275 1.00 9.78 H new ATOM 0 HD22 LEU A 96 20.469 -0.582 1.964 1.00 9.78 H new ATOM 0 HD23 LEU A 96 20.180 -2.330 2.131 1.00 9.78 H new ATOM 1466 N VAL A 97 16.475 1.431 -0.339 1.00 6.13 N ATOM 1467 CA VAL A 97 15.210 1.915 -0.876 1.00 5.45 C ATOM 1468 C VAL A 97 15.389 2.194 -2.356 1.00 5.86 C ATOM 1469 O VAL A 97 16.504 2.426 -2.794 1.00 6.40 O ATOM 1470 CB VAL A 97 14.748 3.221 -0.186 1.00 4.23 C ATOM 1471 CG1 VAL A 97 14.535 3.016 1.306 1.00 4.19 C ATOM 1472 CG2 VAL A 97 15.753 4.332 -0.441 1.00 4.01 C ATOM 0 H VAL A 97 17.293 1.887 -0.743 1.00 6.13 H new ATOM 0 HA VAL A 97 14.454 1.150 -0.699 1.00 5.45 H new ATOM 0 HB VAL A 97 13.789 3.511 -0.616 1.00 4.23 H new ATOM 0 HG11 VAL A 97 14.211 3.953 1.759 1.00 4.19 H new ATOM 0 HG12 VAL A 97 13.772 2.254 1.463 1.00 4.19 H new ATOM 0 HG13 VAL A 97 15.469 2.694 1.766 1.00 4.19 H new ATOM 0 HG21 VAL A 97 15.417 5.246 0.049 1.00 4.01 H new ATOM 0 HG22 VAL A 97 16.725 4.042 -0.042 1.00 4.01 H new ATOM 0 HG23 VAL A 97 15.839 4.506 -1.514 1.00 4.01 H new ATOM 1482 N PRO A 98 14.321 2.155 -3.153 1.00 5.92 N ATOM 1483 CA PRO A 98 14.396 2.530 -4.570 1.00 6.55 C ATOM 1484 C PRO A 98 14.953 3.945 -4.735 1.00 6.22 C ATOM 1485 O PRO A 98 14.587 4.845 -3.987 1.00 5.29 O ATOM 1486 CB PRO A 98 12.937 2.448 -5.025 1.00 6.53 C ATOM 1487 CG PRO A 98 12.327 1.463 -4.095 1.00 6.39 C ATOM 1488 CD PRO A 98 12.964 1.741 -2.766 1.00 5.71 C ATOM 0 HA PRO A 98 15.060 1.891 -5.151 1.00 6.55 H new ATOM 0 HB2 PRO A 98 12.443 3.418 -4.960 1.00 6.53 H new ATOM 0 HB3 PRO A 98 12.860 2.120 -6.062 1.00 6.53 H new ATOM 0 HG2 PRO A 98 11.245 1.583 -4.047 1.00 6.39 H new ATOM 0 HG3 PRO A 98 12.521 0.441 -4.420 1.00 6.39 H new ATOM 0 HD2 PRO A 98 12.440 2.525 -2.219 1.00 5.71 H new ATOM 0 HD3 PRO A 98 12.974 0.858 -2.127 1.00 5.71 H new ATOM 1496 N SER A 99 15.844 4.134 -5.701 1.00 7.21 N ATOM 1497 CA SER A 99 16.544 5.404 -5.858 1.00 7.37 C ATOM 1498 C SER A 99 15.580 6.557 -6.165 1.00 7.21 C ATOM 1499 O SER A 99 15.874 7.713 -5.855 1.00 7.21 O ATOM 1500 CB SER A 99 17.612 5.288 -6.953 1.00 8.73 C ATOM 1501 OG SER A 99 18.408 6.458 -7.035 1.00 9.29 O ATOM 0 H SER A 99 16.099 3.424 -6.388 1.00 7.21 H new ATOM 0 HA SER A 99 17.029 5.633 -4.909 1.00 7.37 H new ATOM 0 HB2 SER A 99 18.250 4.428 -6.750 1.00 8.73 H new ATOM 0 HB3 SER A 99 17.130 5.108 -7.914 1.00 8.73 H new ATOM 0 HG SER A 99 19.078 6.349 -7.741 1.00 9.29 H new ATOM 1507 N GLU A 100 14.427 6.257 -6.739 1.00 7.31 N ATOM 1508 CA GLU A 100 13.446 7.298 -7.022 1.00 7.41 C ATOM 1509 C GLU A 100 12.469 7.474 -5.857 1.00 6.33 C ATOM 1510 O GLU A 100 11.456 8.165 -5.982 1.00 6.56 O ATOM 1511 CB GLU A 100 12.704 7.003 -8.324 1.00 8.22 C ATOM 1512 CG GLU A 100 13.636 6.907 -9.519 1.00 9.47 C ATOM 1513 CD GLU A 100 12.905 6.657 -10.818 1.00 10.34 C ATOM 1514 OE1 GLU A 100 12.649 5.482 -11.144 1.00 10.65 O1- ATOM 1515 OE2 GLU A 100 12.583 7.639 -11.520 1.00 10.86 O ATOM 0 H GLU A 100 14.147 5.316 -7.016 1.00 7.31 H new ATOM 0 HA GLU A 100 13.982 8.239 -7.144 1.00 7.41 H new ATOM 0 HB2 GLU A 100 12.154 6.067 -8.221 1.00 8.22 H new ATOM 0 HB3 GLU A 100 11.968 7.787 -8.504 1.00 8.22 H new ATOM 0 HG2 GLU A 100 14.208 7.831 -9.602 1.00 9.47 H new ATOM 0 HG3 GLU A 100 14.352 6.103 -9.351 1.00 9.47 H new ATOM 1522 N ALA A 101 12.775 6.876 -4.719 1.00 5.34 N ATOM 1523 CA ALA A 101 11.925 7.013 -3.543 1.00 4.45 C ATOM 1524 C ALA A 101 12.191 8.324 -2.819 1.00 4.45 C ATOM 1525 O ALA A 101 11.280 8.936 -2.255 1.00 4.62 O ATOM 1526 CB ALA A 101 12.145 5.855 -2.588 1.00 3.75 C ATOM 0 H ALA A 101 13.601 6.293 -4.581 1.00 5.34 H new ATOM 0 HA ALA A 101 10.890 7.008 -3.885 1.00 4.45 H new ATOM 0 HB1 ALA A 101 11.502 5.975 -1.716 1.00 3.75 H new ATOM 0 HB2 ALA A 101 11.904 4.918 -3.090 1.00 3.75 H new ATOM 0 HB3 ALA A 101 13.187 5.839 -2.270 1.00 3.75 H new ATOM 1532 N LEU A 102 13.436 8.764 -2.859 1.00 4.73 N ATOM 1533 CA LEU A 102 13.870 9.881 -2.047 1.00 5.07 C ATOM 1534 C LEU A 102 13.961 11.172 -2.847 1.00 6.33 C ATOM 1535 O LEU A 102 13.941 11.159 -4.080 1.00 6.97 O ATOM 1536 CB LEU A 102 15.205 9.554 -1.366 1.00 4.90 C ATOM 1537 CG LEU A 102 16.325 9.046 -2.284 1.00 5.36 C ATOM 1538 CD1 LEU A 102 17.004 10.192 -3.016 1.00 6.64 C ATOM 1539 CD2 LEU A 102 17.344 8.259 -1.482 1.00 4.98 C ATOM 0 H LEU A 102 14.165 8.361 -3.448 1.00 4.73 H new ATOM 0 HA LEU A 102 13.115 10.044 -1.278 1.00 5.07 H new ATOM 0 HB2 LEU A 102 15.559 10.450 -0.857 1.00 4.90 H new ATOM 0 HB3 LEU A 102 15.023 8.802 -0.598 1.00 4.90 H new ATOM 0 HG LEU A 102 15.875 8.391 -3.030 1.00 5.36 H new ATOM 0 HD11 LEU A 102 17.792 9.798 -3.658 1.00 6.64 H new ATOM 0 HD12 LEU A 102 16.270 10.720 -3.625 1.00 6.64 H new ATOM 0 HD13 LEU A 102 17.437 10.881 -2.291 1.00 6.64 H new ATOM 0 HD21 LEU A 102 18.133 7.904 -2.145 1.00 4.98 H new ATOM 0 HD22 LEU A 102 17.776 8.900 -0.714 1.00 4.98 H new ATOM 0 HD23 LEU A 102 16.856 7.406 -1.010 1.00 4.98 H new ATOM 1551 N ILE A 103 14.059 12.278 -2.135 1.00 6.87 N ATOM 1552 CA ILE A 103 14.235 13.579 -2.748 1.00 8.18 C ATOM 1553 C ILE A 103 15.640 14.087 -2.483 1.00 8.75 C ATOM 1554 O ILE A 103 16.018 14.286 -1.332 1.00 8.67 O ATOM 1555 CB ILE A 103 13.240 14.616 -2.184 1.00 8.80 C ATOM 1556 CG1 ILE A 103 11.789 14.173 -2.407 1.00 8.52 C ATOM 1557 CG2 ILE A 103 13.497 15.987 -2.789 1.00 10.20 C ATOM 1558 CD1 ILE A 103 11.485 13.748 -3.828 1.00 8.14 C ATOM 0 H ILE A 103 14.019 12.299 -1.116 1.00 6.87 H new ATOM 0 HA ILE A 103 14.057 13.459 -3.817 1.00 8.18 H new ATOM 0 HB ILE A 103 13.397 14.686 -1.108 1.00 8.80 H new ATOM 0 HG12 ILE A 103 11.566 13.344 -1.735 1.00 8.52 H new ATOM 0 HG13 ILE A 103 11.124 14.992 -2.134 1.00 8.52 H new ATOM 0 HG21 ILE A 103 12.786 16.705 -2.379 1.00 10.20 H new ATOM 0 HG22 ILE A 103 14.512 16.305 -2.551 1.00 10.20 H new ATOM 0 HG23 ILE A 103 13.378 15.935 -3.871 1.00 10.20 H new ATOM 0 HD11 ILE A 103 10.439 13.450 -3.903 1.00 8.14 H new ATOM 0 HD12 ILE A 103 11.674 14.581 -4.505 1.00 8.14 H new ATOM 0 HD13 ILE A 103 12.123 12.907 -4.101 1.00 8.14 H new ATOM 1570 N ARG A 104 16.421 14.285 -3.525 1.00 9.50 N ATOM 1571 CA ARG A 104 17.720 14.895 -3.345 1.00 10.25 C ATOM 1572 C ARG A 104 17.626 16.401 -3.493 1.00 11.48 C ATOM 1573 O ARG A 104 17.137 16.908 -4.505 1.00 12.12 O ATOM 1574 CB ARG A 104 18.763 14.324 -4.303 1.00 10.50 C ATOM 1575 CG ARG A 104 19.719 13.344 -3.646 1.00 9.82 C ATOM 1576 CD ARG A 104 20.608 14.042 -2.628 1.00 9.98 C ATOM 1577 NE ARG A 104 21.582 13.132 -2.034 1.00 10.43 N ATOM 1578 CZ ARG A 104 22.900 13.221 -2.217 1.00 10.83 C ATOM 1579 NH1 ARG A 104 23.407 14.138 -3.034 1.00 10.83 N1+ ATOM 1580 NH2 ARG A 104 23.712 12.376 -1.599 1.00 11.42 N ATOM 0 H ARG A 104 16.185 14.038 -4.486 1.00 9.50 H new ATOM 0 HA ARG A 104 18.050 14.660 -2.333 1.00 10.25 H new ATOM 0 HB2 ARG A 104 18.253 13.824 -5.127 1.00 10.50 H new ATOM 0 HB3 ARG A 104 19.336 15.145 -4.734 1.00 10.50 H new ATOM 0 HG2 ARG A 104 19.152 12.552 -3.156 1.00 9.82 H new ATOM 0 HG3 ARG A 104 20.337 12.869 -4.408 1.00 9.82 H new ATOM 0 HD2 ARG A 104 21.131 14.868 -3.110 1.00 9.98 H new ATOM 0 HD3 ARG A 104 19.988 14.473 -1.841 1.00 9.98 H new ATOM 0 HE ARG A 104 21.232 12.380 -1.441 1.00 10.43 H new ATOM 0 HH11 ARG A 104 22.787 14.781 -3.527 1.00 10.83 H new ATOM 0 HH12 ARG A 104 24.416 14.199 -3.168 1.00 10.83 H new ATOM 0 HH21 ARG A 104 23.329 11.658 -0.984 1.00 11.42 H new ATOM 0 HH22 ARG A 104 24.720 12.443 -1.738 1.00 11.42 H new ATOM 1594 N THR A 105 18.094 17.109 -2.483 1.00 11.91 N ATOM 1595 CA THR A 105 18.084 18.555 -2.502 1.00 13.15 C ATOM 1596 C THR A 105 19.307 19.113 -1.775 1.00 13.72 C ATOM 1597 O THR A 105 19.556 18.794 -0.610 1.00 13.20 O ATOM 1598 CB THR A 105 16.780 19.116 -1.888 1.00 13.31 C ATOM 1599 OG1 THR A 105 16.862 20.543 -1.758 1.00 14.61 O ATOM 1600 CG2 THR A 105 16.485 18.487 -0.534 1.00 12.61 C ATOM 0 H THR A 105 18.488 16.701 -1.635 1.00 11.91 H new ATOM 0 HA THR A 105 18.126 18.875 -3.543 1.00 13.15 H new ATOM 0 HB THR A 105 15.962 18.863 -2.563 1.00 13.31 H new ATOM 0 HG1 THR A 105 16.029 20.884 -1.370 1.00 14.61 H new ATOM 0 HG21 THR A 105 15.562 18.905 -0.132 1.00 12.61 H new ATOM 0 HG22 THR A 105 16.375 17.409 -0.650 1.00 12.61 H new ATOM 0 HG23 THR A 105 17.306 18.696 0.151 1.00 12.61 H new ATOM 1608 N GLY A 106 20.085 19.917 -2.489 1.00 14.84 N ATOM 1609 CA GLY A 106 21.261 20.536 -1.910 1.00 15.52 C ATOM 1610 C GLY A 106 22.245 19.526 -1.356 1.00 14.91 C ATOM 1611 O GLY A 106 22.905 18.808 -2.110 1.00 14.86 O ATOM 0 H GLY A 106 19.920 20.153 -3.468 1.00 14.84 H new ATOM 0 HA2 GLY A 106 21.757 21.142 -2.668 1.00 15.52 H new ATOM 0 HA3 GLY A 106 20.954 21.212 -1.112 1.00 15.52 H new ATOM 1615 N ALA A 107 22.330 19.455 -0.036 1.00 14.57 N ATOM 1616 CA ALA A 107 23.282 18.578 0.617 1.00 14.09 C ATOM 1617 C ALA A 107 22.589 17.554 1.502 1.00 12.88 C ATOM 1618 O ALA A 107 23.185 17.033 2.445 1.00 12.64 O ATOM 1619 CB ALA A 107 24.274 19.396 1.427 1.00 14.99 C ATOM 0 H ALA A 107 21.748 19.997 0.603 1.00 14.57 H new ATOM 0 HA ALA A 107 23.818 18.030 -0.158 1.00 14.09 H new ATOM 0 HB1 ALA A 107 24.985 18.728 1.914 1.00 14.99 H new ATOM 0 HB2 ALA A 107 24.810 20.077 0.766 1.00 14.99 H new ATOM 0 HB3 ALA A 107 23.740 19.971 2.184 1.00 14.99 H new ATOM 1625 N ARG A 108 21.339 17.254 1.196 1.00 12.19 N ATOM 1626 CA ARG A 108 20.585 16.301 1.993 1.00 11.09 C ATOM 1627 C ARG A 108 19.460 15.661 1.190 1.00 10.26 C ATOM 1628 O ARG A 108 19.266 15.970 0.012 1.00 10.63 O ATOM 1629 CB ARG A 108 20.056 16.974 3.265 1.00 11.48 C ATOM 1630 CG ARG A 108 19.612 18.410 3.045 1.00 12.49 C ATOM 1631 CD ARG A 108 18.128 18.508 2.736 1.00 12.62 C ATOM 1632 NE ARG A 108 17.749 19.854 2.304 1.00 13.67 N ATOM 1633 CZ ARG A 108 16.715 20.543 2.793 1.00 14.22 C ATOM 1634 NH1 ARG A 108 16.019 20.077 3.823 1.00 13.92 N1+ ATOM 1635 NH2 ARG A 108 16.408 21.726 2.274 1.00 15.20 N ATOM 0 H ARG A 108 20.828 17.652 0.408 1.00 12.19 H new ATOM 0 HA ARG A 108 21.259 15.496 2.287 1.00 11.09 H new ATOM 0 HB2 ARG A 108 19.216 16.396 3.651 1.00 11.48 H new ATOM 0 HB3 ARG A 108 20.834 16.954 4.028 1.00 11.48 H new ATOM 0 HG2 ARG A 108 19.836 18.999 3.934 1.00 12.49 H new ATOM 0 HG3 ARG A 108 20.182 18.844 2.224 1.00 12.49 H new ATOM 0 HD2 ARG A 108 17.871 17.791 1.957 1.00 12.62 H new ATOM 0 HD3 ARG A 108 17.554 18.236 3.622 1.00 12.62 H new ATOM 0 HE ARG A 108 18.314 20.296 1.579 1.00 13.67 H new ATOM 0 HH11 ARG A 108 16.272 19.185 4.248 1.00 13.92 H new ATOM 0 HH12 ARG A 108 15.231 20.611 4.189 1.00 13.92 H new ATOM 0 HH21 ARG A 108 16.961 22.105 1.505 1.00 15.20 H new ATOM 0 HH22 ARG A 108 15.619 22.256 2.644 1.00 15.20 H new ATOM 1649 N THR A 109 18.723 14.773 1.836 1.00 9.26 N ATOM 1650 CA THR A 109 17.701 13.990 1.168 1.00 8.38 C ATOM 1651 C THR A 109 16.414 13.960 1.992 1.00 8.15 C ATOM 1652 O THR A 109 16.452 14.087 3.214 1.00 8.42 O ATOM 1653 CB THR A 109 18.203 12.547 0.936 1.00 7.38 C ATOM 1654 OG1 THR A 109 19.437 12.571 0.202 1.00 7.95 O ATOM 1655 CG2 THR A 109 17.179 11.718 0.183 1.00 6.64 C ATOM 0 H THR A 109 18.816 14.576 2.832 1.00 9.26 H new ATOM 0 HA THR A 109 17.489 14.458 0.207 1.00 8.38 H new ATOM 0 HB THR A 109 18.363 12.087 1.911 1.00 7.38 H new ATOM 0 HG1 THR A 109 19.313 12.124 -0.661 1.00 7.95 H new ATOM 0 HG21 THR A 109 17.564 10.709 0.037 1.00 6.64 H new ATOM 0 HG22 THR A 109 16.254 11.674 0.757 1.00 6.64 H new ATOM 0 HG23 THR A 109 16.983 12.175 -0.787 1.00 6.64 H new ATOM 1663 N ILE A 110 15.282 13.830 1.315 1.00 7.89 N ATOM 1664 CA ILE A 110 14.001 13.675 1.986 1.00 7.87 C ATOM 1665 C ILE A 110 13.365 12.346 1.589 1.00 6.75 C ATOM 1666 O ILE A 110 13.539 11.884 0.464 1.00 6.24 O ATOM 1667 CB ILE A 110 13.018 14.816 1.634 1.00 9.02 C ATOM 1668 CG1 ILE A 110 13.683 16.191 1.790 1.00 10.20 C ATOM 1669 CG2 ILE A 110 11.772 14.724 2.500 1.00 9.31 C ATOM 1670 CD1 ILE A 110 14.133 16.505 3.202 1.00 10.55 C ATOM 0 H ILE A 110 15.226 13.829 0.297 1.00 7.89 H new ATOM 0 HA ILE A 110 14.195 13.705 3.058 1.00 7.87 H new ATOM 0 HB ILE A 110 12.729 14.703 0.589 1.00 9.02 H new ATOM 0 HG12 ILE A 110 14.545 16.243 1.126 1.00 10.20 H new ATOM 0 HG13 ILE A 110 12.983 16.960 1.464 1.00 10.20 H new ATOM 0 HG21 ILE A 110 11.089 15.533 2.242 1.00 9.31 H new ATOM 0 HG22 ILE A 110 11.281 13.766 2.330 1.00 9.31 H new ATOM 0 HG23 ILE A 110 12.052 14.807 3.550 1.00 9.31 H new ATOM 0 HD11 ILE A 110 14.592 17.493 3.226 1.00 10.55 H new ATOM 0 HD12 ILE A 110 13.272 16.488 3.870 1.00 10.55 H new ATOM 0 HD13 ILE A 110 14.859 15.760 3.527 1.00 10.55 H new ATOM 1682 N ALA A 111 12.646 11.732 2.512 1.00 6.58 N ATOM 1683 CA ALA A 111 11.941 10.494 2.233 1.00 5.74 C ATOM 1684 C ALA A 111 10.464 10.658 2.515 1.00 6.51 C ATOM 1685 O ALA A 111 10.080 11.338 3.460 1.00 7.39 O ATOM 1686 CB ALA A 111 12.501 9.350 3.058 1.00 5.00 C ATOM 0 H ALA A 111 12.535 12.073 3.467 1.00 6.58 H new ATOM 0 HA ALA A 111 12.080 10.257 1.178 1.00 5.74 H new ATOM 0 HB1 ALA A 111 11.955 8.435 2.829 1.00 5.00 H new ATOM 0 HB2 ALA A 111 13.556 9.212 2.820 1.00 5.00 H new ATOM 0 HB3 ALA A 111 12.395 9.580 4.118 1.00 5.00 H new ATOM 1692 N MET A 112 9.644 10.037 1.696 1.00 6.37 N ATOM 1693 CA MET A 112 8.207 10.155 1.834 1.00 7.19 C ATOM 1694 C MET A 112 7.630 8.863 2.397 1.00 6.90 C ATOM 1695 O MET A 112 7.385 7.920 1.650 1.00 6.29 O ATOM 1696 CB MET A 112 7.599 10.435 0.462 1.00 7.48 C ATOM 1697 CG MET A 112 8.133 11.693 -0.206 1.00 8.19 C ATOM 1698 SD MET A 112 7.788 13.177 0.750 1.00 8.85 S ATOM 1699 CE MET A 112 6.015 13.034 0.924 1.00 8.24 C ATOM 0 H MET A 112 9.948 9.443 0.925 1.00 6.37 H new ATOM 0 HA MET A 112 7.972 10.971 2.517 1.00 7.19 H new ATOM 0 HB2 MET A 112 7.789 9.582 -0.189 1.00 7.48 H new ATOM 0 HB3 MET A 112 6.518 10.522 0.566 1.00 7.48 H new ATOM 0 HG2 MET A 112 9.210 11.597 -0.347 1.00 8.19 H new ATOM 0 HG3 MET A 112 7.689 11.791 -1.197 1.00 8.19 H new ATOM 0 HE1 MET A 112 5.584 14.023 1.078 1.00 8.24 H new ATOM 0 HE2 MET A 112 5.595 12.592 0.021 1.00 8.24 H new ATOM 0 HE3 MET A 112 5.783 12.400 1.780 1.00 8.24 H new ATOM 1709 N VAL A 113 7.387 8.830 3.702 1.00 7.60 N ATOM 1710 CA VAL A 113 6.950 7.609 4.354 1.00 7.75 C ATOM 1711 C VAL A 113 5.428 7.472 4.320 1.00 8.59 C ATOM 1712 O VAL A 113 4.701 8.457 4.430 1.00 9.48 O ATOM 1713 CB VAL A 113 7.465 7.530 5.814 1.00 8.42 C ATOM 1714 CG1 VAL A 113 6.806 8.574 6.696 1.00 9.69 C ATOM 1715 CG2 VAL A 113 7.259 6.141 6.390 1.00 8.72 C ATOM 0 H VAL A 113 7.486 9.632 4.324 1.00 7.60 H new ATOM 0 HA VAL A 113 7.380 6.778 3.796 1.00 7.75 H new ATOM 0 HB VAL A 113 8.535 7.739 5.791 1.00 8.42 H new ATOM 0 HG11 VAL A 113 7.192 8.488 7.712 1.00 9.69 H new ATOM 0 HG12 VAL A 113 7.025 9.569 6.308 1.00 9.69 H new ATOM 0 HG13 VAL A 113 5.728 8.416 6.703 1.00 9.69 H new ATOM 0 HG21 VAL A 113 7.629 6.114 7.415 1.00 8.72 H new ATOM 0 HG22 VAL A 113 6.197 5.897 6.381 1.00 8.72 H new ATOM 0 HG23 VAL A 113 7.803 5.413 5.788 1.00 8.72 H new ATOM 1725 N ALA A 114 4.968 6.240 4.130 1.00 8.43 N ATOM 1726 CA ALA A 114 3.551 5.917 4.095 1.00 9.31 C ATOM 1727 C ALA A 114 2.924 6.118 5.470 1.00 10.44 C ATOM 1728 O ALA A 114 2.830 5.186 6.273 1.00 10.70 O ATOM 1729 CB ALA A 114 3.358 4.483 3.605 1.00 8.96 C ATOM 0 H ALA A 114 5.576 5.432 3.995 1.00 8.43 H new ATOM 0 HA ALA A 114 3.049 6.589 3.399 1.00 9.31 H new ATOM 0 HB1 ALA A 114 2.294 4.247 3.581 1.00 8.96 H new ATOM 0 HB2 ALA A 114 3.775 4.382 2.603 1.00 8.96 H new ATOM 0 HB3 ALA A 114 3.867 3.796 4.281 1.00 8.96 H new ATOM 1735 N LYS A 115 2.504 7.348 5.725 1.00 11.26 N ATOM 1736 CA LYS A 115 1.969 7.738 7.016 1.00 12.43 C ATOM 1737 C LYS A 115 0.582 7.139 7.220 1.00 13.26 C ATOM 1738 O LYS A 115 -0.144 6.871 6.256 1.00 13.19 O ATOM 1739 CB LYS A 115 1.899 9.266 7.102 1.00 13.13 C ATOM 1740 CG LYS A 115 1.873 9.805 8.525 1.00 13.19 C ATOM 1741 CD LYS A 115 1.620 11.303 8.547 1.00 14.08 C ATOM 1742 CE LYS A 115 1.885 11.903 9.919 1.00 14.36 C ATOM 1743 NZ LYS A 115 3.322 11.836 10.299 1.00 14.88 N1+ ATOM 0 H LYS A 115 2.526 8.103 5.040 1.00 11.26 H new ATOM 0 HA LYS A 115 2.626 7.362 7.800 1.00 12.43 H new ATOM 0 HB2 LYS A 115 2.757 9.689 6.580 1.00 13.13 H new ATOM 0 HB3 LYS A 115 1.007 9.609 6.578 1.00 13.13 H new ATOM 0 HG2 LYS A 115 1.096 9.295 9.094 1.00 13.19 H new ATOM 0 HG3 LYS A 115 2.822 9.588 9.015 1.00 13.19 H new ATOM 0 HD2 LYS A 115 2.257 11.790 7.809 1.00 14.08 H new ATOM 0 HD3 LYS A 115 0.588 11.501 8.257 1.00 14.08 H new ATOM 0 HE2 LYS A 115 1.558 12.943 9.927 1.00 14.36 H new ATOM 0 HE3 LYS A 115 1.290 11.376 10.664 1.00 14.36 H new ATOM 0 HZ1 LYS A 115 3.440 12.179 11.274 1.00 14.88 H new ATOM 0 HZ2 LYS A 115 3.652 10.852 10.236 1.00 14.88 H new ATOM 0 HZ3 LYS A 115 3.880 12.431 9.653 1.00 14.88 H new ATOM 1757 N GLY A 116 0.214 6.944 8.478 1.00 14.15 N ATOM 1758 CA GLY A 116 -1.065 6.351 8.807 1.00 15.10 C ATOM 1759 C GLY A 116 -2.234 7.282 8.548 1.00 16.02 C ATOM 1760 O GLY A 116 -3.387 6.900 8.737 1.00 16.92 O ATOM 0 H GLY A 116 0.787 7.190 9.285 1.00 14.15 H new ATOM 0 HA2 GLY A 116 -1.197 5.440 8.224 1.00 15.10 H new ATOM 0 HA3 GLY A 116 -1.065 6.060 9.858 1.00 15.10 H new ATOM 1764 N GLU A 117 -1.940 8.499 8.107 1.00 15.88 N ATOM 1765 CA GLU A 117 -2.978 9.472 7.802 1.00 16.82 C ATOM 1766 C GLU A 117 -3.365 9.418 6.324 1.00 16.56 C ATOM 1767 O GLU A 117 -3.960 10.352 5.786 1.00 17.25 O ATOM 1768 CB GLU A 117 -2.525 10.881 8.176 1.00 17.04 C ATOM 1769 CG GLU A 117 -2.176 11.016 9.643 1.00 17.42 C ATOM 1770 CD GLU A 117 -2.009 12.457 10.080 1.00 17.95 C ATOM 1771 OE1 GLU A 117 -1.086 13.135 9.587 1.00 18.56 O ATOM 1772 OE2 GLU A 117 -2.794 12.915 10.937 1.00 17.82 O1- ATOM 0 H GLU A 117 -0.989 8.835 7.953 1.00 15.88 H new ATOM 0 HA GLU A 117 -3.856 9.218 8.396 1.00 16.82 H new ATOM 0 HB2 GLU A 117 -1.657 11.150 7.575 1.00 17.04 H new ATOM 0 HB3 GLU A 117 -3.316 11.589 7.929 1.00 17.04 H new ATOM 0 HG2 GLU A 117 -2.958 10.549 10.242 1.00 17.42 H new ATOM 0 HG3 GLU A 117 -1.253 10.472 9.843 1.00 17.42 H new ATOM 1779 N GLY A 118 -3.000 8.317 5.674 1.00 15.62 N ATOM 1780 CA GLY A 118 -3.384 8.097 4.291 1.00 15.41 C ATOM 1781 C GLY A 118 -2.521 8.865 3.314 1.00 14.71 C ATOM 1782 O GLY A 118 -2.839 8.948 2.127 1.00 14.71 O ATOM 0 H GLY A 118 -2.441 7.569 6.084 1.00 15.62 H new ATOM 0 HA2 GLY A 118 -3.320 7.032 4.066 1.00 15.41 H new ATOM 0 HA3 GLY A 118 -4.425 8.390 4.157 1.00 15.41 H new ATOM 1786 N GLY A 119 -1.428 9.421 3.808 1.00 14.19 N ATOM 1787 CA GLY A 119 -0.562 10.217 2.974 1.00 13.68 C ATOM 1788 C GLY A 119 0.889 9.840 3.150 1.00 12.53 C ATOM 1789 O GLY A 119 1.202 8.741 3.607 1.00 12.20 O ATOM 0 H GLY A 119 -1.125 9.333 4.778 1.00 14.19 H new ATOM 0 HA2 GLY A 119 -0.846 10.090 1.929 1.00 13.68 H new ATOM 0 HA3 GLY A 119 -0.695 11.272 3.214 1.00 13.68 H new ATOM 1793 N PHE A 120 1.772 10.756 2.806 1.00 12.03 N ATOM 1794 CA PHE A 120 3.199 10.500 2.855 1.00 10.94 C ATOM 1795 C PHE A 120 3.900 11.593 3.643 1.00 11.32 C ATOM 1796 O PHE A 120 3.769 12.782 3.347 1.00 11.97 O ATOM 1797 CB PHE A 120 3.758 10.436 1.438 1.00 10.11 C ATOM 1798 CG PHE A 120 3.099 9.402 0.572 1.00 9.82 C ATOM 1799 CD1 PHE A 120 3.256 8.050 0.836 1.00 9.99 C ATOM 1800 CD2 PHE A 120 2.327 9.786 -0.509 1.00 9.56 C ATOM 1801 CE1 PHE A 120 2.652 7.102 0.035 1.00 9.89 C ATOM 1802 CE2 PHE A 120 1.721 8.844 -1.313 1.00 9.49 C ATOM 1803 CZ PHE A 120 1.881 7.499 -1.041 1.00 9.66 C ATOM 0 H PHE A 120 1.524 11.692 2.487 1.00 12.03 H new ATOM 0 HA PHE A 120 3.373 9.545 3.352 1.00 10.94 H new ATOM 0 HB2 PHE A 120 3.646 11.414 0.969 1.00 10.11 H new ATOM 0 HB3 PHE A 120 4.827 10.227 1.488 1.00 10.11 H new ATOM 0 HD1 PHE A 120 3.857 7.736 1.677 1.00 9.99 H new ATOM 0 HD2 PHE A 120 2.197 10.836 -0.726 1.00 9.56 H new ATOM 0 HE1 PHE A 120 2.782 6.051 0.249 1.00 9.89 H new ATOM 0 HE2 PHE A 120 1.122 9.157 -2.155 1.00 9.49 H new ATOM 0 HZ PHE A 120 1.405 6.760 -1.668 1.00 9.66 H new ATOM 1813 N ASP A 121 4.628 11.170 4.658 1.00 11.05 N ATOM 1814 CA ASP A 121 5.275 12.074 5.594 1.00 11.56 C ATOM 1815 C ASP A 121 6.750 12.208 5.263 1.00 10.58 C ATOM 1816 O ASP A 121 7.505 11.238 5.291 1.00 9.55 O ATOM 1817 CB ASP A 121 5.092 11.533 6.997 1.00 12.35 C ATOM 1818 CG ASP A 121 5.758 12.373 8.069 1.00 13.39 C ATOM 1819 OD1 ASP A 121 6.976 12.195 8.282 1.00 13.91 O1- ATOM 1820 OD2 ASP A 121 5.089 13.233 8.681 1.00 13.79 O ATOM 0 H ASP A 121 4.789 10.183 4.859 1.00 11.05 H new ATOM 0 HA ASP A 121 4.824 13.064 5.523 1.00 11.56 H new ATOM 0 HB2 ASP A 121 4.026 11.464 7.213 1.00 12.35 H new ATOM 0 HB3 ASP A 121 5.493 10.520 7.041 1.00 12.35 H new ATOM 1825 N PRO A 122 7.146 13.432 4.920 1.00 10.99 N ATOM 1826 CA PRO A 122 8.474 13.741 4.410 1.00 10.31 C ATOM 1827 C PRO A 122 9.515 13.926 5.504 1.00 10.40 C ATOM 1828 O PRO A 122 9.488 14.908 6.247 1.00 11.44 O ATOM 1829 CB PRO A 122 8.249 15.043 3.645 1.00 11.13 C ATOM 1830 CG PRO A 122 7.106 15.711 4.345 1.00 12.35 C ATOM 1831 CD PRO A 122 6.298 14.623 5.017 1.00 12.29 C ATOM 0 HA PRO A 122 8.874 12.928 3.804 1.00 10.31 H new ATOM 0 HB2 PRO A 122 9.141 15.669 3.660 1.00 11.13 H new ATOM 0 HB3 PRO A 122 8.013 14.850 2.599 1.00 11.13 H new ATOM 0 HG2 PRO A 122 7.471 16.429 5.079 1.00 12.35 H new ATOM 0 HG3 PRO A 122 6.491 16.265 3.636 1.00 12.35 H new ATOM 0 HD2 PRO A 122 6.080 14.873 6.055 1.00 12.29 H new ATOM 0 HD3 PRO A 122 5.341 14.472 4.518 1.00 12.29 H new ATOM 1839 N VAL A 123 10.450 12.997 5.559 1.00 9.36 N ATOM 1840 CA VAL A 123 11.499 13.000 6.563 1.00 9.43 C ATOM 1841 C VAL A 123 12.828 13.442 5.945 1.00 9.05 C ATOM 1842 O VAL A 123 13.113 13.128 4.791 1.00 8.18 O ATOM 1843 CB VAL A 123 11.666 11.585 7.171 1.00 8.79 C ATOM 1844 CG1 VAL A 123 12.220 10.621 6.154 1.00 7.90 C ATOM 1845 CG2 VAL A 123 12.531 11.620 8.422 1.00 9.39 C ATOM 0 H VAL A 123 10.504 12.215 4.906 1.00 9.36 H new ATOM 0 HA VAL A 123 11.216 13.701 7.348 1.00 9.43 H new ATOM 0 HB VAL A 123 10.677 11.231 7.463 1.00 8.79 H new ATOM 0 HG11 VAL A 123 12.327 9.636 6.607 1.00 7.90 H new ATOM 0 HG12 VAL A 123 11.540 10.558 5.305 1.00 7.90 H new ATOM 0 HG13 VAL A 123 13.194 10.972 5.813 1.00 7.90 H new ATOM 0 HG21 VAL A 123 12.629 10.612 8.825 1.00 9.39 H new ATOM 0 HG22 VAL A 123 13.518 12.008 8.171 1.00 9.39 H new ATOM 0 HG23 VAL A 123 12.066 12.265 9.168 1.00 9.39 H new ATOM 1855 N GLU A 124 13.621 14.194 6.689 1.00 9.85 N ATOM 1856 CA GLU A 124 14.975 14.508 6.260 1.00 9.72 C ATOM 1857 C GLU A 124 15.905 13.354 6.610 1.00 8.90 C ATOM 1858 O GLU A 124 15.999 12.939 7.767 1.00 9.21 O ATOM 1859 CB GLU A 124 15.469 15.811 6.889 1.00 10.96 C ATOM 1860 CG GLU A 124 16.841 16.228 6.386 1.00 11.07 C ATOM 1861 CD GLU A 124 17.192 17.649 6.755 1.00 12.34 C ATOM 1862 OE1 GLU A 124 16.846 18.567 5.980 1.00 12.93 O1- ATOM 1863 OE2 GLU A 124 17.811 17.862 7.817 1.00 12.83 O ATOM 0 H GLU A 124 13.354 14.597 7.587 1.00 9.85 H new ATOM 0 HA GLU A 124 14.972 14.648 5.179 1.00 9.72 H new ATOM 0 HB2 GLU A 124 14.753 16.605 6.677 1.00 10.96 H new ATOM 0 HB3 GLU A 124 15.505 15.695 7.972 1.00 10.96 H new ATOM 0 HG2 GLU A 124 17.593 15.554 6.796 1.00 11.07 H new ATOM 0 HG3 GLU A 124 16.874 16.120 5.302 1.00 11.07 H new ATOM 1870 N VAL A 125 16.576 12.832 5.599 1.00 8.03 N ATOM 1871 CA VAL A 125 17.374 11.620 5.733 1.00 7.30 C ATOM 1872 C VAL A 125 18.724 11.776 5.041 1.00 7.38 C ATOM 1873 O VAL A 125 18.922 12.686 4.232 1.00 7.84 O ATOM 1874 CB VAL A 125 16.597 10.399 5.148 1.00 6.19 C ATOM 1875 CG1 VAL A 125 15.372 10.856 4.399 1.00 6.15 C ATOM 1876 CG2 VAL A 125 17.427 9.550 4.222 1.00 5.62 C ATOM 0 H VAL A 125 16.585 13.234 4.661 1.00 8.03 H new ATOM 0 HA VAL A 125 17.558 11.445 6.793 1.00 7.30 H new ATOM 0 HB VAL A 125 16.321 9.790 6.009 1.00 6.19 H new ATOM 0 HG11 VAL A 125 14.845 9.989 4.000 1.00 6.15 H new ATOM 0 HG12 VAL A 125 14.714 11.400 5.076 1.00 6.15 H new ATOM 0 HG13 VAL A 125 15.670 11.509 3.579 1.00 6.15 H new ATOM 0 HG21 VAL A 125 16.825 8.720 3.852 1.00 5.62 H new ATOM 0 HG22 VAL A 125 17.767 10.154 3.381 1.00 5.62 H new ATOM 0 HG23 VAL A 125 18.290 9.160 4.761 1.00 5.62 H new ATOM 1886 N LYS A 126 19.653 10.900 5.382 1.00 7.21 N ATOM 1887 CA LYS A 126 20.916 10.847 4.695 1.00 7.44 C ATOM 1888 C LYS A 126 20.904 9.743 3.663 1.00 6.77 C ATOM 1889 O LYS A 126 20.627 8.587 3.976 1.00 6.29 O ATOM 1890 CB LYS A 126 22.077 10.638 5.640 1.00 8.03 C ATOM 1891 CG LYS A 126 23.398 10.577 4.907 1.00 8.46 C ATOM 1892 CD LYS A 126 24.543 10.414 5.863 1.00 9.06 C ATOM 1893 CE LYS A 126 25.871 10.732 5.201 1.00 9.72 C ATOM 1894 NZ LYS A 126 27.010 10.607 6.146 1.00 10.39 N1+ ATOM 0 H LYS A 126 19.549 10.218 6.133 1.00 7.21 H new ATOM 0 HA LYS A 126 21.053 11.812 4.208 1.00 7.44 H new ATOM 0 HB2 LYS A 126 22.103 11.449 6.368 1.00 8.03 H new ATOM 0 HB3 LYS A 126 21.929 9.714 6.198 1.00 8.03 H new ATOM 0 HG2 LYS A 126 23.388 9.745 4.203 1.00 8.46 H new ATOM 0 HG3 LYS A 126 23.535 11.487 4.323 1.00 8.46 H new ATOM 0 HD2 LYS A 126 24.397 11.069 6.722 1.00 9.06 H new ATOM 0 HD3 LYS A 126 24.560 9.392 6.241 1.00 9.06 H new ATOM 0 HE2 LYS A 126 26.025 10.060 4.357 1.00 9.72 H new ATOM 0 HE3 LYS A 126 25.842 11.745 4.800 1.00 9.72 H new ATOM 0 HZ1 LYS A 126 27.897 10.833 5.652 1.00 10.39 H new ATOM 0 HZ2 LYS A 126 26.877 11.267 6.939 1.00 10.39 H new ATOM 0 HZ3 LYS A 126 27.054 9.634 6.509 1.00 10.39 H new ATOM 1908 N ALA A 127 21.225 10.101 2.447 1.00 7.04 N ATOM 1909 CA ALA A 127 21.182 9.164 1.343 1.00 6.78 C ATOM 1910 C ALA A 127 22.319 9.401 0.371 1.00 7.69 C ATOM 1911 O ALA A 127 22.319 10.403 -0.339 1.00 8.30 O ATOM 1912 CB ALA A 127 19.855 9.283 0.620 1.00 6.34 C ATOM 0 H ALA A 127 21.522 11.042 2.190 1.00 7.04 H new ATOM 0 HA ALA A 127 21.290 8.159 1.750 1.00 6.78 H new ATOM 0 HB1 ALA A 127 19.828 8.576 -0.209 1.00 6.34 H new ATOM 0 HB2 ALA A 127 19.042 9.062 1.312 1.00 6.34 H new ATOM 0 HB3 ALA A 127 19.739 10.297 0.237 1.00 6.34 H new ATOM 1918 N GLY A 128 23.305 8.523 0.337 1.00 8.00 N ATOM 1919 CA GLY A 128 24.244 8.609 -0.755 1.00 8.94 C ATOM 1920 C GLY A 128 24.915 7.304 -1.114 1.00 9.46 C ATOM 1921 O GLY A 128 26.108 7.125 -0.866 1.00 10.10 O ATOM 0 H GLY A 128 23.469 7.780 1.016 1.00 8.00 H new ATOM 0 HA2 GLY A 128 23.724 8.989 -1.635 1.00 8.94 H new ATOM 0 HA3 GLY A 128 25.012 9.339 -0.499 1.00 8.94 H new ATOM 1925 N ALA A 129 24.156 6.388 -1.694 1.00 9.37 N ATOM 1926 CA ALA A 129 24.688 5.363 -2.569 1.00 10.27 C ATOM 1927 C ALA A 129 23.624 4.980 -3.585 1.00 10.12 C ATOM 1928 O ALA A 129 22.444 5.255 -3.359 1.00 9.18 O ATOM 1929 CB ALA A 129 25.182 4.166 -1.795 1.00 10.61 C ATOM 0 H ALA A 129 23.145 6.337 -1.568 1.00 9.37 H new ATOM 0 HA ALA A 129 25.556 5.760 -3.096 1.00 10.27 H new ATOM 0 HB1 ALA A 129 25.573 3.421 -2.488 1.00 10.61 H new ATOM 0 HB2 ALA A 129 25.972 4.476 -1.111 1.00 10.61 H new ATOM 0 HB3 ALA A 129 24.358 3.735 -1.226 1.00 10.61 H new ATOM 1935 N THR A 130 24.007 4.348 -4.675 1.00 11.12 N ATOM 1936 CA THR A 130 23.029 3.790 -5.597 1.00 11.19 C ATOM 1937 C THR A 130 23.472 2.407 -6.048 1.00 12.15 C ATOM 1938 O THR A 130 24.602 2.228 -6.506 1.00 13.17 O ATOM 1939 CB THR A 130 22.827 4.685 -6.829 1.00 11.72 C ATOM 1940 OG1 THR A 130 22.750 6.064 -6.433 1.00 11.18 O ATOM 1941 CG2 THR A 130 21.558 4.303 -7.574 1.00 11.68 C ATOM 0 H THR A 130 24.980 4.206 -4.946 1.00 11.12 H new ATOM 0 HA THR A 130 22.079 3.725 -5.066 1.00 11.19 H new ATOM 0 HB THR A 130 23.681 4.543 -7.492 1.00 11.72 H new ATOM 0 HG1 THR A 130 22.623 6.625 -7.226 1.00 11.18 H new ATOM 0 HG21 THR A 130 21.437 4.951 -8.442 1.00 11.68 H new ATOM 0 HG22 THR A 130 21.627 3.266 -7.902 1.00 11.68 H new ATOM 0 HG23 THR A 130 20.699 4.418 -6.913 1.00 11.68 H new ATOM 1949 N ALA A 131 22.588 1.434 -5.910 1.00 11.92 N ATOM 1950 CA ALA A 131 22.918 0.062 -6.232 1.00 12.91 C ATOM 1951 C ALA A 131 21.710 -0.694 -6.767 1.00 12.98 C ATOM 1952 O ALA A 131 20.658 -0.730 -6.127 1.00 12.19 O ATOM 1953 CB ALA A 131 23.478 -0.645 -5.007 1.00 12.87 C ATOM 0 H ALA A 131 21.634 1.572 -5.576 1.00 11.92 H new ATOM 0 HA ALA A 131 23.675 0.078 -7.016 1.00 12.91 H new ATOM 0 HB1 ALA A 131 23.722 -1.676 -5.262 1.00 12.87 H new ATOM 0 HB2 ALA A 131 24.378 -0.131 -4.670 1.00 12.87 H new ATOM 0 HB3 ALA A 131 22.735 -0.635 -4.210 1.00 12.87 H new ATOM 1959 N GLY A 132 21.868 -1.280 -7.949 1.00 14.01 N ATOM 1960 CA GLY A 132 20.838 -2.129 -8.521 1.00 14.34 C ATOM 1961 C GLY A 132 19.522 -1.412 -8.735 1.00 13.47 C ATOM 1962 O GLY A 132 18.455 -2.003 -8.562 1.00 13.23 O ATOM 0 H GLY A 132 22.702 -1.180 -8.528 1.00 14.01 H new ATOM 0 HA2 GLY A 132 21.189 -2.522 -9.475 1.00 14.34 H new ATOM 0 HA3 GLY A 132 20.676 -2.984 -7.865 1.00 14.34 H new ATOM 1966 N GLY A 133 19.593 -0.142 -9.106 1.00 13.12 N ATOM 1967 CA GLY A 133 18.390 0.636 -9.338 1.00 12.40 C ATOM 1968 C GLY A 133 17.795 1.167 -8.049 1.00 10.98 C ATOM 1969 O GLY A 133 16.704 1.737 -8.041 1.00 10.30 O ATOM 0 H GLY A 133 20.465 0.367 -9.251 1.00 13.12 H new ATOM 0 HA2 GLY A 133 18.621 1.470 -10.001 1.00 12.40 H new ATOM 0 HA3 GLY A 133 17.652 0.018 -9.849 1.00 12.40 H new ATOM 1973 N GLN A 134 18.520 0.994 -6.957 1.00 10.62 N ATOM 1974 CA GLN A 134 18.049 1.432 -5.659 1.00 9.33 C ATOM 1975 C GLN A 134 19.070 2.353 -5.037 1.00 8.96 C ATOM 1976 O GLN A 134 20.180 2.479 -5.536 1.00 9.81 O ATOM 1977 CB GLN A 134 17.773 0.249 -4.726 1.00 9.38 C ATOM 1978 CG GLN A 134 16.741 -0.728 -5.264 1.00 9.89 C ATOM 1979 CD GLN A 134 16.297 -1.749 -4.233 1.00 10.08 C ATOM 1980 OE1 GLN A 134 17.042 -2.100 -3.316 1.00 10.39 O ATOM 1981 NE2 GLN A 134 15.080 -2.249 -4.384 1.00 10.17 N ATOM 0 H GLN A 134 19.439 0.552 -6.946 1.00 10.62 H new ATOM 0 HA GLN A 134 17.108 1.964 -5.802 1.00 9.33 H new ATOM 0 HB2 GLN A 134 18.706 -0.285 -4.546 1.00 9.38 H new ATOM 0 HB3 GLN A 134 17.432 0.629 -3.763 1.00 9.38 H new ATOM 0 HG2 GLN A 134 15.871 -0.173 -5.615 1.00 9.89 H new ATOM 0 HG3 GLN A 134 17.157 -1.248 -6.127 1.00 9.89 H new ATOM 0 HE21 GLN A 134 14.491 -1.934 -5.155 1.00 10.17 H new ATOM 0 HE22 GLN A 134 14.731 -2.949 -3.729 1.00 10.17 H new ATOM 1990 N SER A 135 18.708 2.982 -3.952 1.00 7.82 N ATOM 1991 CA SER A 135 19.598 3.887 -3.280 1.00 7.56 C ATOM 1992 C SER A 135 19.813 3.452 -1.840 1.00 7.12 C ATOM 1993 O SER A 135 18.985 2.740 -1.266 1.00 6.78 O ATOM 1994 CB SER A 135 19.064 5.315 -3.354 1.00 6.91 C ATOM 1995 OG SER A 135 17.694 5.362 -2.992 1.00 6.85 O ATOM 0 H SER A 135 17.793 2.882 -3.512 1.00 7.82 H new ATOM 0 HA SER A 135 20.565 3.865 -3.783 1.00 7.56 H new ATOM 0 HB2 SER A 135 19.642 5.958 -2.691 1.00 6.91 H new ATOM 0 HB3 SER A 135 19.191 5.703 -4.365 1.00 6.91 H new ATOM 0 HG SER A 135 17.612 5.647 -2.058 1.00 6.85 H new ATOM 2001 N GLU A 136 20.918 3.867 -1.268 1.00 7.39 N ATOM 2002 CA GLU A 136 21.209 3.553 0.116 1.00 7.25 C ATOM 2003 C GLU A 136 20.863 4.723 1.020 1.00 6.42 C ATOM 2004 O GLU A 136 21.393 5.826 0.873 1.00 6.54 O ATOM 2005 CB GLU A 136 22.682 3.206 0.275 1.00 8.31 C ATOM 2006 CG GLU A 136 23.070 1.916 -0.427 1.00 9.31 C ATOM 2007 CD GLU A 136 24.499 1.501 -0.139 1.00 10.29 C ATOM 2008 OE1 GLU A 136 24.945 1.648 1.019 1.00 10.79 O1- ATOM 2009 OE2 GLU A 136 25.183 1.022 -1.065 1.00 10.69 O ATOM 0 H GLU A 136 21.633 4.423 -1.737 1.00 7.39 H new ATOM 0 HA GLU A 136 20.600 2.696 0.404 1.00 7.25 H new ATOM 0 HB2 GLU A 136 23.286 4.023 -0.119 1.00 8.31 H new ATOM 0 HB3 GLU A 136 22.916 3.120 1.336 1.00 8.31 H new ATOM 0 HG2 GLU A 136 22.395 1.120 -0.114 1.00 9.31 H new ATOM 0 HG3 GLU A 136 22.941 2.039 -1.502 1.00 9.31 H new ATOM 2016 N ILE A 137 19.936 4.476 1.924 1.00 5.86 N ATOM 2017 CA ILE A 137 19.632 5.406 2.986 1.00 5.49 C ATOM 2018 C ILE A 137 20.590 5.160 4.133 1.00 6.25 C ATOM 2019 O ILE A 137 20.471 4.173 4.862 1.00 6.73 O ATOM 2020 CB ILE A 137 18.170 5.276 3.470 1.00 4.93 C ATOM 2021 CG1 ILE A 137 17.209 5.742 2.381 1.00 4.16 C ATOM 2022 CG2 ILE A 137 17.940 6.058 4.758 1.00 5.24 C ATOM 2023 CD1 ILE A 137 17.511 7.130 1.870 1.00 4.21 C ATOM 0 H ILE A 137 19.374 3.625 1.941 1.00 5.86 H new ATOM 0 HA ILE A 137 19.749 6.420 2.604 1.00 5.49 H new ATOM 0 HB ILE A 137 17.978 4.224 3.682 1.00 4.93 H new ATOM 0 HG12 ILE A 137 17.247 5.040 1.548 1.00 4.16 H new ATOM 0 HG13 ILE A 137 16.191 5.720 2.771 1.00 4.16 H new ATOM 0 HG21 ILE A 137 16.902 5.946 5.071 1.00 5.24 H new ATOM 0 HG22 ILE A 137 18.598 5.676 5.538 1.00 5.24 H new ATOM 0 HG23 ILE A 137 18.155 7.113 4.587 1.00 5.24 H new ATOM 0 HD11 ILE A 137 16.790 7.398 1.098 1.00 4.21 H new ATOM 0 HD12 ILE A 137 17.445 7.843 2.692 1.00 4.21 H new ATOM 0 HD13 ILE A 137 18.517 7.152 1.451 1.00 4.21 H new ATOM 2035 N LEU A 138 21.561 6.044 4.245 1.00 6.60 N ATOM 2036 CA LEU A 138 22.612 5.929 5.237 1.00 7.40 C ATOM 2037 C LEU A 138 22.044 6.198 6.624 1.00 7.59 C ATOM 2038 O LEU A 138 22.293 5.448 7.566 1.00 8.21 O ATOM 2039 CB LEU A 138 23.745 6.920 4.909 1.00 7.87 C ATOM 2040 CG LEU A 138 24.702 6.525 3.758 1.00 8.31 C ATOM 2041 CD1 LEU A 138 23.968 5.870 2.600 1.00 7.93 C ATOM 2042 CD2 LEU A 138 25.447 7.747 3.247 1.00 8.79 C ATOM 0 H LEU A 138 21.644 6.867 3.648 1.00 6.60 H new ATOM 0 HA LEU A 138 23.019 4.918 5.222 1.00 7.40 H new ATOM 0 HB2 LEU A 138 23.295 7.882 4.663 1.00 7.87 H new ATOM 0 HB3 LEU A 138 24.340 7.068 5.811 1.00 7.87 H new ATOM 0 HG LEU A 138 25.406 5.801 4.167 1.00 8.31 H new ATOM 0 HD11 LEU A 138 24.681 5.611 1.817 1.00 7.93 H new ATOM 0 HD12 LEU A 138 23.469 4.966 2.950 1.00 7.93 H new ATOM 0 HD13 LEU A 138 23.227 6.562 2.201 1.00 7.93 H new ATOM 0 HD21 LEU A 138 26.116 7.453 2.438 1.00 8.79 H new ATOM 0 HD22 LEU A 138 24.731 8.481 2.878 1.00 8.79 H new ATOM 0 HD23 LEU A 138 26.029 8.184 4.058 1.00 8.79 H new ATOM 2054 N GLU A 139 21.264 7.266 6.735 1.00 7.31 N ATOM 2055 CA GLU A 139 20.633 7.626 7.988 1.00 7.84 C ATOM 2056 C GLU A 139 19.255 8.179 7.721 1.00 7.45 C ATOM 2057 O GLU A 139 18.963 8.594 6.607 1.00 6.77 O ATOM 2058 CB GLU A 139 21.464 8.665 8.734 1.00 8.66 C ATOM 2059 CG GLU A 139 22.774 8.126 9.268 1.00 9.21 C ATOM 2060 CD GLU A 139 23.635 9.188 9.920 1.00 9.98 C ATOM 2061 OE1 GLU A 139 23.375 10.388 9.687 1.00 10.44 O ATOM 2062 OE2 GLU A 139 24.576 8.833 10.663 1.00 10.28 O1- ATOM 0 H GLU A 139 21.055 7.899 5.963 1.00 7.31 H new ATOM 0 HA GLU A 139 20.558 6.732 8.607 1.00 7.84 H new ATOM 0 HB2 GLU A 139 21.671 9.501 8.065 1.00 8.66 H new ATOM 0 HB3 GLU A 139 20.878 9.059 9.564 1.00 8.66 H new ATOM 0 HG2 GLU A 139 22.567 7.339 9.994 1.00 9.21 H new ATOM 0 HG3 GLU A 139 23.331 7.667 8.451 1.00 9.21 H new ATOM 2069 N GLY A 140 18.414 8.196 8.730 1.00 8.06 N ATOM 2070 CA GLY A 140 17.109 8.799 8.574 1.00 8.05 C ATOM 2071 C GLY A 140 15.966 7.859 8.890 1.00 8.05 C ATOM 2072 O GLY A 140 15.174 8.111 9.802 1.00 8.87 O ATOM 0 H GLY A 140 18.605 7.806 9.653 1.00 8.06 H new ATOM 0 HA2 GLY A 140 17.041 9.672 9.224 1.00 8.05 H new ATOM 0 HA3 GLY A 140 17.003 9.155 7.549 1.00 8.05 H new ATOM 2076 N LEU A 141 15.885 6.764 8.149 1.00 7.34 N ATOM 2077 CA LEU A 141 14.731 5.877 8.239 1.00 7.46 C ATOM 2078 C LEU A 141 15.062 4.537 8.885 1.00 8.16 C ATOM 2079 O LEU A 141 16.190 4.290 9.318 1.00 8.50 O ATOM 2080 CB LEU A 141 14.115 5.644 6.858 1.00 6.40 C ATOM 2081 CG LEU A 141 13.311 6.812 6.288 1.00 6.03 C ATOM 2082 CD1 LEU A 141 12.785 6.454 4.911 1.00 5.58 C ATOM 2083 CD2 LEU A 141 12.163 7.183 7.220 1.00 6.58 C ATOM 0 H LEU A 141 16.598 6.468 7.483 1.00 7.34 H new ATOM 0 HA LEU A 141 14.010 6.381 8.882 1.00 7.46 H new ATOM 0 HB2 LEU A 141 14.916 5.402 6.159 1.00 6.40 H new ATOM 0 HB3 LEU A 141 13.465 4.771 6.913 1.00 6.40 H new ATOM 0 HG LEU A 141 13.967 7.678 6.200 1.00 6.03 H new ATOM 0 HD11 LEU A 141 12.213 7.291 4.511 1.00 5.58 H new ATOM 0 HD12 LEU A 141 13.622 6.236 4.247 1.00 5.58 H new ATOM 0 HD13 LEU A 141 12.142 5.577 4.984 1.00 5.58 H new ATOM 0 HD21 LEU A 141 11.604 8.017 6.795 1.00 6.58 H new ATOM 0 HD22 LEU A 141 11.501 6.326 7.341 1.00 6.58 H new ATOM 0 HD23 LEU A 141 12.562 7.472 8.192 1.00 6.58 H new ATOM 2095 N LYS A 142 14.056 3.674 8.922 1.00 8.54 N ATOM 2096 CA LYS A 142 14.151 2.372 9.559 1.00 9.51 C ATOM 2097 C LYS A 142 13.350 1.363 8.755 1.00 9.48 C ATOM 2098 O LYS A 142 12.451 1.725 8.006 1.00 8.97 O ATOM 2099 CB LYS A 142 13.572 2.472 10.966 1.00 10.71 C ATOM 2100 CG LYS A 142 13.657 1.177 11.753 1.00 11.83 C ATOM 2101 CD LYS A 142 13.084 1.324 13.156 1.00 12.89 C ATOM 2102 CE LYS A 142 13.799 2.408 13.954 1.00 13.50 C ATOM 2103 NZ LYS A 142 15.252 2.138 14.106 1.00 14.15 N1+ ATOM 0 H LYS A 142 13.144 3.862 8.506 1.00 8.54 H new ATOM 0 HA LYS A 142 15.192 2.054 9.607 1.00 9.51 H new ATOM 0 HB2 LYS A 142 14.100 3.254 11.512 1.00 10.71 H new ATOM 0 HB3 LYS A 142 12.528 2.779 10.899 1.00 10.71 H new ATOM 0 HG2 LYS A 142 13.117 0.393 11.221 1.00 11.83 H new ATOM 0 HG3 LYS A 142 14.698 0.860 11.818 1.00 11.83 H new ATOM 0 HD2 LYS A 142 12.022 1.562 13.091 1.00 12.89 H new ATOM 0 HD3 LYS A 142 13.165 0.373 13.682 1.00 12.89 H new ATOM 0 HE2 LYS A 142 13.661 3.369 13.459 1.00 13.50 H new ATOM 0 HE3 LYS A 142 13.343 2.489 14.941 1.00 13.50 H new ATOM 0 HZ1 LYS A 142 15.673 2.848 14.739 1.00 14.15 H new ATOM 0 HZ2 LYS A 142 15.388 1.189 14.510 1.00 14.15 H new ATOM 0 HZ3 LYS A 142 15.714 2.188 13.175 1.00 14.15 H new ATOM 2117 N ALA A 143 13.698 0.096 8.913 1.00 10.19 N ATOM 2118 CA ALA A 143 13.030 -0.979 8.201 1.00 10.49 C ATOM 2119 C ALA A 143 11.594 -1.101 8.662 1.00 11.20 C ATOM 2120 O ALA A 143 11.323 -1.173 9.860 1.00 12.12 O ATOM 2121 CB ALA A 143 13.758 -2.291 8.398 1.00 11.37 C ATOM 0 H ALA A 143 14.446 -0.214 9.534 1.00 10.19 H new ATOM 0 HA ALA A 143 13.039 -0.741 7.137 1.00 10.49 H new ATOM 0 HB1 ALA A 143 13.238 -3.081 7.855 1.00 11.37 H new ATOM 0 HB2 ALA A 143 14.777 -2.202 8.022 1.00 11.37 H new ATOM 0 HB3 ALA A 143 13.784 -2.537 9.460 1.00 11.37 H new ATOM 2127 N GLY A 144 10.688 -1.136 7.703 1.00 10.88 N ATOM 2128 CA GLY A 144 9.274 -1.078 8.006 1.00 11.54 C ATOM 2129 C GLY A 144 8.683 0.258 7.606 1.00 10.82 C ATOM 2130 O GLY A 144 7.468 0.452 7.625 1.00 11.32 O ATOM 0 H GLY A 144 10.907 -1.204 6.709 1.00 10.88 H new ATOM 0 HA2 GLY A 144 8.754 -1.880 7.482 1.00 11.54 H new ATOM 0 HA3 GLY A 144 9.121 -1.242 9.073 1.00 11.54 H new ATOM 2134 N GLN A 145 9.563 1.179 7.233 1.00 9.74 N ATOM 2135 CA GLN A 145 9.154 2.512 6.806 1.00 9.10 C ATOM 2136 C GLN A 145 8.947 2.525 5.301 1.00 8.05 C ATOM 2137 O GLN A 145 9.895 2.564 4.524 1.00 7.35 O ATOM 2138 CB GLN A 145 10.208 3.550 7.201 1.00 8.76 C ATOM 2139 CG GLN A 145 10.324 3.777 8.703 1.00 9.88 C ATOM 2140 CD GLN A 145 9.034 4.274 9.327 1.00 10.75 C ATOM 2141 OE1 GLN A 145 8.796 5.476 9.408 1.00 11.13 O ATOM 2142 NE2 GLN A 145 8.200 3.353 9.779 1.00 11.24 N ATOM 0 H GLN A 145 10.571 1.026 7.218 1.00 9.74 H new ATOM 0 HA GLN A 145 8.217 2.768 7.301 1.00 9.10 H new ATOM 0 HB2 GLN A 145 11.177 3.233 6.816 1.00 8.76 H new ATOM 0 HB3 GLN A 145 9.968 4.498 6.718 1.00 8.76 H new ATOM 0 HG2 GLN A 145 10.619 2.845 9.184 1.00 9.88 H new ATOM 0 HG3 GLN A 145 11.117 4.500 8.896 1.00 9.88 H new ATOM 0 HE21 GLN A 145 8.436 2.364 9.692 1.00 11.24 H new ATOM 0 HE22 GLN A 145 7.321 3.631 10.215 1.00 11.24 H new ATOM 2151 N GLN A 146 7.693 2.440 4.908 1.00 8.12 N ATOM 2152 CA GLN A 146 7.318 2.444 3.508 1.00 7.34 C ATOM 2153 C GLN A 146 7.438 3.840 2.928 1.00 6.41 C ATOM 2154 O GLN A 146 7.002 4.795 3.541 1.00 6.79 O ATOM 2155 CB GLN A 146 5.874 1.980 3.361 1.00 8.14 C ATOM 2156 CG GLN A 146 5.722 0.483 3.282 1.00 9.01 C ATOM 2157 CD GLN A 146 4.280 0.050 3.122 1.00 9.89 C ATOM 2158 OE1 GLN A 146 3.767 -0.035 2.005 1.00 10.17 O ATOM 2159 NE2 GLN A 146 3.624 -0.244 4.230 1.00 10.49 N ATOM 0 H GLN A 146 6.904 2.366 5.550 1.00 8.12 H new ATOM 0 HA GLN A 146 7.988 1.770 2.973 1.00 7.34 H new ATOM 0 HB2 GLN A 146 5.295 2.351 4.207 1.00 8.14 H new ATOM 0 HB3 GLN A 146 5.448 2.427 2.463 1.00 8.14 H new ATOM 0 HG2 GLN A 146 6.306 0.106 2.442 1.00 9.01 H new ATOM 0 HG3 GLN A 146 6.135 0.032 4.184 1.00 9.01 H new ATOM 0 HE21 GLN A 146 4.087 -0.160 5.135 1.00 10.49 H new ATOM 0 HE22 GLN A 146 2.654 -0.555 4.181 1.00 10.49 H new ATOM 2168 N VAL A 147 8.015 3.944 1.745 1.00 5.45 N ATOM 2169 CA VAL A 147 8.173 5.226 1.070 1.00 4.76 C ATOM 2170 C VAL A 147 7.661 5.120 -0.361 1.00 4.67 C ATOM 2171 O VAL A 147 7.912 4.131 -1.039 1.00 4.76 O ATOM 2172 CB VAL A 147 9.644 5.719 1.076 1.00 3.89 C ATOM 2173 CG1 VAL A 147 10.112 5.989 2.498 1.00 4.21 C ATOM 2174 CG2 VAL A 147 10.566 4.712 0.397 1.00 3.49 C ATOM 0 H VAL A 147 8.386 3.149 1.225 1.00 5.45 H new ATOM 0 HA VAL A 147 7.586 5.962 1.620 1.00 4.76 H new ATOM 0 HB VAL A 147 9.686 6.650 0.511 1.00 3.89 H new ATOM 0 HG11 VAL A 147 11.146 6.334 2.481 1.00 4.21 H new ATOM 0 HG12 VAL A 147 9.481 6.755 2.949 1.00 4.21 H new ATOM 0 HG13 VAL A 147 10.045 5.072 3.083 1.00 4.21 H new ATOM 0 HG21 VAL A 147 11.590 5.085 0.417 1.00 3.49 H new ATOM 0 HG22 VAL A 147 10.517 3.760 0.925 1.00 3.49 H new ATOM 0 HG23 VAL A 147 10.251 4.570 -0.637 1.00 3.49 H new ATOM 2184 N VAL A 148 6.922 6.132 -0.798 1.00 4.95 N ATOM 2185 CA VAL A 148 6.213 6.086 -2.078 1.00 5.28 C ATOM 2186 C VAL A 148 7.159 5.920 -3.280 1.00 4.93 C ATOM 2187 O VAL A 148 8.029 6.759 -3.518 1.00 4.74 O ATOM 2188 CB VAL A 148 5.334 7.353 -2.276 1.00 6.08 C ATOM 2189 CG1 VAL A 148 6.133 8.620 -2.033 1.00 6.56 C ATOM 2190 CG2 VAL A 148 4.709 7.386 -3.663 1.00 6.56 C ATOM 0 H VAL A 148 6.795 7.003 -0.282 1.00 4.95 H new ATOM 0 HA VAL A 148 5.575 5.203 -2.037 1.00 5.28 H new ATOM 0 HB VAL A 148 4.531 7.304 -1.540 1.00 6.08 H new ATOM 0 HG11 VAL A 148 5.491 9.489 -2.179 1.00 6.56 H new ATOM 0 HG12 VAL A 148 6.515 8.619 -1.012 1.00 6.56 H new ATOM 0 HG13 VAL A 148 6.967 8.664 -2.733 1.00 6.56 H new ATOM 0 HG21 VAL A 148 4.101 8.285 -3.767 1.00 6.56 H new ATOM 0 HG22 VAL A 148 5.496 7.391 -4.417 1.00 6.56 H new ATOM 0 HG23 VAL A 148 4.081 6.506 -3.800 1.00 6.56 H new ATOM 2200 N VAL A 149 6.995 4.819 -4.034 1.00 5.25 N ATOM 2201 CA VAL A 149 7.833 4.575 -5.218 1.00 5.51 C ATOM 2202 C VAL A 149 7.013 4.053 -6.416 1.00 6.47 C ATOM 2203 O VAL A 149 7.026 4.650 -7.488 1.00 6.99 O ATOM 2204 CB VAL A 149 8.999 3.589 -4.910 1.00 5.65 C ATOM 2205 CG1 VAL A 149 9.637 3.926 -3.583 1.00 5.29 C ATOM 2206 CG2 VAL A 149 8.537 2.146 -4.893 1.00 6.22 C ATOM 0 H VAL A 149 6.301 4.095 -3.848 1.00 5.25 H new ATOM 0 HA VAL A 149 8.256 5.542 -5.489 1.00 5.51 H new ATOM 0 HB VAL A 149 9.730 3.700 -5.711 1.00 5.65 H new ATOM 0 HG11 VAL A 149 10.450 3.228 -3.382 1.00 5.29 H new ATOM 0 HG12 VAL A 149 10.031 4.942 -3.616 1.00 5.29 H new ATOM 0 HG13 VAL A 149 8.891 3.852 -2.791 1.00 5.29 H new ATOM 0 HG21 VAL A 149 9.384 1.495 -4.674 1.00 6.22 H new ATOM 0 HG22 VAL A 149 7.773 2.018 -4.126 1.00 6.22 H new ATOM 0 HG23 VAL A 149 8.121 1.886 -5.866 1.00 6.22 H new ATOM 2234 N GLN A 152 2.271 -1.416 -5.442 1.00 8.97 N ATOM 2235 CA GLN A 152 1.606 -2.556 -6.039 1.00 9.41 C ATOM 2236 C GLN A 152 0.226 -2.123 -6.494 1.00 9.73 C ATOM 2237 O GLN A 152 -0.471 -1.414 -5.767 1.00 9.97 O ATOM 2238 CB GLN A 152 1.480 -3.692 -5.017 1.00 10.01 C ATOM 2239 CG GLN A 152 0.864 -4.965 -5.585 1.00 10.63 C ATOM 2240 CD GLN A 152 0.464 -5.960 -4.509 1.00 11.38 C ATOM 2241 OE1 GLN A 152 -0.467 -6.745 -4.688 1.00 11.71 O ATOM 2242 NE2 GLN A 152 1.155 -5.927 -3.382 1.00 11.84 N ATOM 0 HA GLN A 152 2.187 -2.917 -6.887 1.00 9.41 H new ATOM 0 HB2 GLN A 152 2.469 -3.923 -4.621 1.00 10.01 H new ATOM 0 HB3 GLN A 152 0.873 -3.349 -4.179 1.00 10.01 H new ATOM 0 HG2 GLN A 152 -0.014 -4.705 -6.177 1.00 10.63 H new ATOM 0 HG3 GLN A 152 1.576 -5.437 -6.262 1.00 10.63 H new ATOM 0 HE21 GLN A 152 1.920 -5.261 -3.272 1.00 11.84 H new ATOM 0 HE22 GLN A 152 0.923 -6.567 -2.623 1.00 11.84 H new ATOM 2251 N PHE A 153 -0.165 -2.519 -7.697 1.00 9.95 N ATOM 2252 CA PHE A 153 -1.495 -2.205 -8.185 1.00 10.47 C ATOM 2253 C PHE A 153 -2.537 -3.010 -7.423 1.00 10.93 C ATOM 2254 O PHE A 153 -2.178 -3.896 -6.640 1.00 11.34 O ATOM 2255 CB PHE A 153 -1.618 -2.400 -9.709 1.00 10.62 C ATOM 2256 CG PHE A 153 -0.894 -3.593 -10.274 1.00 11.04 C ATOM 2257 CD1 PHE A 153 0.484 -3.573 -10.437 1.00 11.27 C ATOM 2258 CD2 PHE A 153 -1.592 -4.720 -10.669 1.00 11.41 C ATOM 2259 CE1 PHE A 153 1.149 -4.656 -10.975 1.00 11.87 C ATOM 2260 CE2 PHE A 153 -0.932 -5.806 -11.213 1.00 12.02 C ATOM 2261 CZ PHE A 153 0.440 -5.774 -11.365 1.00 12.24 C ATOM 0 H PHE A 153 0.414 -3.052 -8.345 1.00 9.95 H new ATOM 0 HA PHE A 153 -1.679 -1.147 -8.001 1.00 10.47 H new ATOM 0 HB2 PHE A 153 -2.675 -2.486 -9.962 1.00 10.62 H new ATOM 0 HB3 PHE A 153 -1.244 -1.503 -10.203 1.00 10.62 H new ATOM 0 HD1 PHE A 153 1.043 -2.698 -10.139 1.00 11.27 H new ATOM 0 HD2 PHE A 153 -2.665 -4.752 -10.551 1.00 11.41 H new ATOM 0 HE1 PHE A 153 2.222 -4.629 -11.091 1.00 11.87 H new ATOM 0 HE2 PHE A 153 -1.489 -6.679 -11.519 1.00 12.02 H new ATOM 0 HZ PHE A 153 0.957 -6.622 -11.788 1.00 12.24 H new ATOM 2271 N LEU A 154 -3.809 -2.706 -7.632 1.00 11.05 N ATOM 2272 CA LEU A 154 -4.872 -3.261 -6.796 1.00 11.63 C ATOM 2273 C LEU A 154 -4.918 -4.789 -6.835 1.00 11.39 C ATOM 2274 O LEU A 154 -4.167 -5.441 -7.569 1.00 11.57 O ATOM 2275 CB LEU A 154 -6.235 -2.679 -7.185 1.00 12.16 C ATOM 2276 CG LEU A 154 -6.367 -1.161 -7.025 1.00 12.68 C ATOM 2277 CD1 LEU A 154 -7.756 -0.699 -7.436 1.00 13.16 C ATOM 2278 CD2 LEU A 154 -6.071 -0.741 -5.594 1.00 13.04 C ATOM 0 H LEU A 154 -4.133 -2.081 -8.370 1.00 11.05 H new ATOM 0 HA LEU A 154 -4.640 -2.972 -5.771 1.00 11.63 H new ATOM 0 HB2 LEU A 154 -6.439 -2.938 -8.224 1.00 12.16 H new ATOM 0 HB3 LEU A 154 -7.003 -3.160 -6.580 1.00 12.16 H new ATOM 0 HG LEU A 154 -5.636 -0.686 -7.679 1.00 12.68 H new ATOM 0 HD11 LEU A 154 -7.830 0.382 -7.315 1.00 13.16 H new ATOM 0 HD12 LEU A 154 -7.933 -0.961 -8.479 1.00 13.16 H new ATOM 0 HD13 LEU A 154 -8.502 -1.186 -6.808 1.00 13.16 H new ATOM 0 HD21 LEU A 154 -6.171 0.341 -5.504 1.00 13.04 H new ATOM 0 HD22 LEU A 154 -6.775 -1.228 -4.919 1.00 13.04 H new ATOM 0 HD23 LEU A 154 -5.055 -1.035 -5.331 1.00 13.04 H new ATOM 2290 N ILE A 155 -5.793 -5.358 -6.026 1.00 11.17 N ATOM 2291 CA ILE A 155 -5.973 -6.796 -5.989 1.00 11.08 C ATOM 2292 C ILE A 155 -7.369 -7.167 -6.480 1.00 10.31 C ATOM 2293 O ILE A 155 -8.277 -7.439 -5.696 1.00 9.93 O ATOM 2294 CB ILE A 155 -5.715 -7.371 -4.574 1.00 11.39 C ATOM 2295 CG1 ILE A 155 -6.392 -6.512 -3.498 1.00 11.61 C ATOM 2296 CG2 ILE A 155 -4.220 -7.480 -4.310 1.00 11.66 C ATOM 2297 CD1 ILE A 155 -6.149 -7.005 -2.087 1.00 11.95 C ATOM 0 H ILE A 155 -6.393 -4.842 -5.383 1.00 11.17 H new ATOM 0 HA ILE A 155 -5.236 -7.242 -6.657 1.00 11.08 H new ATOM 0 HB ILE A 155 -6.150 -8.369 -4.529 1.00 11.39 H new ATOM 0 HG12 ILE A 155 -6.031 -5.487 -3.583 1.00 11.61 H new ATOM 0 HG13 ILE A 155 -7.465 -6.489 -3.686 1.00 11.61 H new ATOM 0 HG21 ILE A 155 -4.055 -7.886 -3.312 1.00 11.66 H new ATOM 0 HG22 ILE A 155 -3.767 -8.141 -5.049 1.00 11.66 H new ATOM 0 HG23 ILE A 155 -3.765 -6.492 -4.380 1.00 11.66 H new ATOM 0 HD11 ILE A 155 -6.657 -6.349 -1.380 1.00 11.95 H new ATOM 0 HD12 ILE A 155 -6.535 -8.019 -1.984 1.00 11.95 H new ATOM 0 HD13 ILE A 155 -5.079 -7.002 -1.880 1.00 11.95 H new ATOM 2309 N ASP A 156 -7.534 -7.140 -7.794 1.00 10.31 N ATOM 2310 CA ASP A 156 -8.814 -7.457 -8.418 1.00 9.81 C ATOM 2311 C ASP A 156 -8.985 -8.961 -8.608 1.00 9.63 C ATOM 2312 O ASP A 156 -9.314 -9.686 -7.674 1.00 9.09 O ATOM 2313 CB ASP A 156 -8.933 -6.768 -9.774 1.00 10.26 C ATOM 2314 CG ASP A 156 -8.796 -5.260 -9.704 1.00 10.68 C ATOM 2315 OD1 ASP A 156 -9.759 -4.594 -9.260 1.00 11.22 O ATOM 2316 OD2 ASP A 156 -7.734 -4.732 -10.079 1.00 10.64 O1- ATOM 0 H ASP A 156 -6.794 -6.901 -8.454 1.00 10.31 H new ATOM 0 HA ASP A 156 -9.597 -7.096 -7.751 1.00 9.81 H new ATOM 0 HB2 ASP A 156 -8.167 -7.163 -10.441 1.00 10.26 H new ATOM 0 HB3 ASP A 156 -9.899 -7.016 -10.215 1.00 10.26 H new ATOM 2321 N SER A 157 -8.747 -9.422 -9.828 1.00 10.26 N ATOM 2322 CA SER A 157 -8.818 -10.836 -10.156 1.00 10.38 C ATOM 2323 C SER A 157 -7.510 -11.522 -9.795 1.00 9.63 C ATOM 2324 O SER A 157 -7.492 -12.662 -9.321 1.00 9.37 O ATOM 2325 CB SER A 157 -9.120 -10.995 -11.646 1.00 11.42 C ATOM 2326 OG SER A 157 -8.332 -10.102 -12.419 1.00 11.90 O ATOM 0 H SER A 157 -8.499 -8.825 -10.617 1.00 10.26 H new ATOM 0 HA SER A 157 -9.617 -11.305 -9.582 1.00 10.38 H new ATOM 0 HB2 SER A 157 -8.922 -12.022 -11.954 1.00 11.42 H new ATOM 0 HB3 SER A 157 -10.178 -10.806 -11.829 1.00 11.42 H new ATOM 0 HG SER A 157 -8.540 -10.221 -13.369 1.00 11.90 H new ATOM 2332 N GLU A 158 -6.420 -10.795 -9.998 1.00 9.47 N ATOM 2333 CA GLU A 158 -5.086 -11.285 -9.697 1.00 9.00 C ATOM 2334 C GLU A 158 -4.932 -11.480 -8.194 1.00 8.03 C ATOM 2335 O GLU A 158 -4.039 -12.179 -7.734 1.00 7.69 O ATOM 2336 CB GLU A 158 -4.034 -10.309 -10.225 1.00 9.38 C ATOM 2337 CG GLU A 158 -2.704 -10.964 -10.563 1.00 10.19 C ATOM 2338 CD GLU A 158 -1.684 -9.970 -11.074 1.00 10.79 C ATOM 2339 OE1 GLU A 158 -1.991 -9.238 -12.034 1.00 11.17 O1- ATOM 2340 OE2 GLU A 158 -0.581 -9.887 -10.490 1.00 11.06 O ATOM 0 H GLU A 158 -6.438 -9.848 -10.377 1.00 9.47 H new ATOM 0 HA GLU A 158 -4.939 -12.246 -10.189 1.00 9.00 H new ATOM 0 HB2 GLU A 158 -4.423 -9.817 -11.117 1.00 9.38 H new ATOM 0 HB3 GLU A 158 -3.866 -9.532 -9.480 1.00 9.38 H new ATOM 0 HG2 GLU A 158 -2.311 -11.460 -9.676 1.00 10.19 H new ATOM 0 HG3 GLU A 158 -2.863 -11.736 -11.316 1.00 10.19 H new ATOM 2347 N ALA A 159 -5.820 -10.827 -7.448 1.00 7.82 N ATOM 2348 CA ALA A 159 -5.881 -10.931 -5.996 1.00 7.20 C ATOM 2349 C ALA A 159 -5.771 -12.377 -5.517 1.00 7.12 C ATOM 2350 O ALA A 159 -4.865 -12.727 -4.761 1.00 6.81 O ATOM 2351 CB ALA A 159 -7.189 -10.328 -5.517 1.00 7.44 C ATOM 0 H ALA A 159 -6.525 -10.204 -7.842 1.00 7.82 H new ATOM 0 HA ALA A 159 -5.032 -10.388 -5.579 1.00 7.20 H new ATOM 0 HB1 ALA A 159 -7.247 -10.400 -4.431 1.00 7.44 H new ATOM 0 HB2 ALA A 159 -7.237 -9.280 -5.814 1.00 7.44 H new ATOM 0 HB3 ALA A 159 -8.024 -10.870 -5.961 1.00 7.44 H new ATOM 2357 N SER A 160 -6.693 -13.215 -5.978 1.00 7.72 N ATOM 2358 CA SER A 160 -6.721 -14.623 -5.602 1.00 8.04 C ATOM 2359 C SER A 160 -5.496 -15.358 -6.144 1.00 7.99 C ATOM 2360 O SER A 160 -5.016 -16.333 -5.562 1.00 8.08 O ATOM 2361 CB SER A 160 -8.002 -15.256 -6.141 1.00 8.99 C ATOM 2362 OG SER A 160 -9.139 -14.515 -5.727 1.00 9.64 O ATOM 0 H SER A 160 -7.437 -12.940 -6.619 1.00 7.72 H new ATOM 0 HA SER A 160 -6.701 -14.702 -4.515 1.00 8.04 H new ATOM 0 HB2 SER A 160 -7.964 -15.296 -7.230 1.00 8.99 H new ATOM 0 HB3 SER A 160 -8.083 -16.284 -5.787 1.00 8.99 H new ATOM 0 HG SER A 160 -9.950 -14.934 -6.083 1.00 9.64 H new ATOM 2368 N LEU A 161 -5.001 -14.856 -7.270 1.00 8.10 N ATOM 2369 CA LEU A 161 -3.887 -15.459 -7.985 1.00 8.40 C ATOM 2370 C LEU A 161 -2.573 -15.236 -7.237 1.00 7.89 C ATOM 2371 O LEU A 161 -1.627 -16.015 -7.358 1.00 8.18 O ATOM 2372 CB LEU A 161 -3.803 -14.856 -9.390 1.00 9.04 C ATOM 2373 CG LEU A 161 -5.081 -14.970 -10.233 1.00 9.80 C ATOM 2374 CD1 LEU A 161 -4.829 -14.479 -11.652 1.00 10.57 C ATOM 2375 CD2 LEU A 161 -5.590 -16.404 -10.249 1.00 10.37 C ATOM 0 H LEU A 161 -5.366 -14.013 -7.714 1.00 8.10 H new ATOM 0 HA LEU A 161 -4.055 -16.534 -8.056 1.00 8.40 H new ATOM 0 HB2 LEU A 161 -3.541 -13.802 -9.299 1.00 9.04 H new ATOM 0 HB3 LEU A 161 -2.989 -15.342 -9.928 1.00 9.04 H new ATOM 0 HG LEU A 161 -5.846 -14.341 -9.779 1.00 9.80 H new ATOM 0 HD11 LEU A 161 -5.745 -14.567 -12.236 1.00 10.57 H new ATOM 0 HD12 LEU A 161 -4.514 -13.436 -11.626 1.00 10.57 H new ATOM 0 HD13 LEU A 161 -4.047 -15.082 -12.112 1.00 10.57 H new ATOM 0 HD21 LEU A 161 -6.496 -16.462 -10.852 1.00 10.37 H new ATOM 0 HD22 LEU A 161 -4.828 -17.056 -10.676 1.00 10.37 H new ATOM 0 HD23 LEU A 161 -5.811 -16.723 -9.230 1.00 10.37 H new ATOM 2387 N ARG A 162 -2.531 -14.134 -6.483 1.00 7.38 N ATOM 2388 CA ARG A 162 -1.347 -13.743 -5.723 1.00 7.17 C ATOM 2389 C ARG A 162 -1.406 -14.286 -4.303 1.00 6.87 C ATOM 2390 O ARG A 162 -0.474 -14.942 -3.845 1.00 6.95 O ATOM 2391 CB ARG A 162 -1.219 -12.218 -5.634 1.00 7.15 C ATOM 2392 CG ARG A 162 -1.187 -11.493 -6.966 1.00 7.34 C ATOM 2393 CD ARG A 162 -1.124 -9.986 -6.755 1.00 7.40 C ATOM 2394 NE ARG A 162 -1.402 -9.241 -7.981 1.00 7.84 N ATOM 2395 CZ ARG A 162 -2.020 -8.060 -8.006 1.00 8.24 C ATOM 2396 NH1 ARG A 162 -2.223 -7.382 -6.886 1.00 8.25 N1+ ATOM 2397 NH2 ARG A 162 -2.384 -7.527 -9.161 1.00 8.90 N ATOM 0 H ARG A 162 -3.317 -13.491 -6.384 1.00 7.38 H new ATOM 0 HA ARG A 162 -0.488 -14.158 -6.251 1.00 7.17 H new ATOM 0 HB2 ARG A 162 -2.054 -11.833 -5.049 1.00 7.15 H new ATOM 0 HB3 ARG A 162 -0.308 -11.977 -5.086 1.00 7.15 H new ATOM 0 HG2 ARG A 162 -0.323 -11.821 -7.544 1.00 7.34 H new ATOM 0 HG3 ARG A 162 -2.074 -11.748 -7.546 1.00 7.34 H new ATOM 0 HD2 ARG A 162 -1.843 -9.699 -5.987 1.00 7.40 H new ATOM 0 HD3 ARG A 162 -0.136 -9.715 -6.384 1.00 7.40 H new ATOM 0 HE ARG A 162 -1.106 -9.648 -8.868 1.00 7.84 H new ATOM 0 HH11 ARG A 162 -1.905 -7.763 -5.995 1.00 8.25 H new ATOM 0 HH12 ARG A 162 -2.697 -6.479 -6.915 1.00 8.25 H new ATOM 0 HH21 ARG A 162 -2.192 -8.020 -10.033 1.00 8.90 H new ATOM 0 HH22 ARG A 162 -2.857 -6.623 -9.179 1.00 8.90 H new ATOM 2411 N GLY A 163 -2.502 -13.984 -3.606 1.00 6.89 N ATOM 2412 CA GLY A 163 -2.614 -14.338 -2.204 1.00 7.01 C ATOM 2413 C GLY A 163 -1.468 -13.764 -1.396 1.00 6.68 C ATOM 2414 O GLY A 163 -0.743 -14.494 -0.723 1.00 7.15 O ATOM 0 H GLY A 163 -3.313 -13.500 -3.991 1.00 6.89 H new ATOM 0 HA2 GLY A 163 -3.561 -13.969 -1.809 1.00 7.01 H new ATOM 0 HA3 GLY A 163 -2.626 -15.423 -2.101 1.00 7.01 H new ATOM 2418 N THR A 164 -1.311 -12.449 -1.472 1.00 6.17 N ATOM 2419 CA THR A 164 -0.152 -11.771 -0.912 1.00 6.16 C ATOM 2420 C THR A 164 -0.055 -11.946 0.606 1.00 6.65 C ATOM 2421 O THR A 164 0.701 -12.787 1.102 1.00 7.09 O ATOM 2422 CB THR A 164 -0.179 -10.267 -1.270 1.00 6.38 C ATOM 2423 OG1 THR A 164 -1.421 -9.675 -0.861 1.00 6.86 O ATOM 2424 CG2 THR A 164 -0.006 -10.070 -2.767 1.00 6.23 C ATOM 0 H THR A 164 -1.981 -11.825 -1.922 1.00 6.17 H new ATOM 0 HA THR A 164 0.731 -12.233 -1.353 1.00 6.16 H new ATOM 0 HB THR A 164 0.645 -9.784 -0.744 1.00 6.38 H new ATOM 0 HG1 THR A 164 -1.422 -8.723 -1.093 1.00 6.86 H new ATOM 0 HG21 THR A 164 -0.028 -9.005 -2.999 1.00 6.23 H new ATOM 0 HG22 THR A 164 0.949 -10.490 -3.081 1.00 6.23 H new ATOM 0 HG23 THR A 164 -0.815 -10.573 -3.296 1.00 6.23 H new ATOM 2432 N VAL A 165 -0.830 -11.164 1.335 1.00 6.89 N ATOM 2433 CA VAL A 165 -0.848 -11.233 2.788 1.00 7.69 C ATOM 2434 C VAL A 165 -2.065 -12.035 3.241 1.00 7.93 C ATOM 2435 O VAL A 165 -2.816 -11.624 4.125 1.00 8.39 O ATOM 2436 CB VAL A 165 -0.874 -9.819 3.423 1.00 8.39 C ATOM 2437 CG1 VAL A 165 -0.546 -9.878 4.910 1.00 9.20 C ATOM 2438 CG2 VAL A 165 0.091 -8.887 2.702 1.00 8.56 C ATOM 0 H VAL A 165 -1.462 -10.467 0.941 1.00 6.89 H new ATOM 0 HA VAL A 165 0.065 -11.727 3.121 1.00 7.69 H new ATOM 0 HB VAL A 165 -1.884 -9.424 3.315 1.00 8.39 H new ATOM 0 HG11 VAL A 165 -0.572 -8.872 5.328 1.00 9.20 H new ATOM 0 HG12 VAL A 165 -1.280 -10.502 5.420 1.00 9.20 H new ATOM 0 HG13 VAL A 165 0.449 -10.302 5.047 1.00 9.20 H new ATOM 0 HG21 VAL A 165 0.057 -7.900 3.164 1.00 8.56 H new ATOM 0 HG22 VAL A 165 1.103 -9.286 2.772 1.00 8.56 H new ATOM 0 HG23 VAL A 165 -0.195 -8.807 1.653 1.00 8.56 H new ATOM 2448 N ALA A 166 -2.261 -13.188 2.615 1.00 7.88 N ATOM 2449 CA ALA A 166 -3.424 -14.016 2.892 1.00 8.33 C ATOM 2450 C ALA A 166 -3.050 -15.244 3.705 1.00 8.94 C ATOM 2451 O ALA A 166 -3.743 -16.260 3.653 1.00 9.11 O ATOM 2452 CB ALA A 166 -4.102 -14.439 1.597 1.00 8.31 C ATOM 0 H ALA A 166 -1.628 -13.570 1.912 1.00 7.88 H new ATOM 0 HA ALA A 166 -4.120 -13.417 3.479 1.00 8.33 H new ATOM 0 HB1 ALA A 166 -4.970 -15.058 1.826 1.00 8.31 H new ATOM 0 HB2 ALA A 166 -4.422 -13.554 1.048 1.00 8.31 H new ATOM 0 HB3 ALA A 166 -3.400 -15.009 0.988 1.00 8.31 H new