USER MOD reduce.3.24.130724 H: found=0, std=0, add=896, rem=0, adj=23 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 34:sc= 0.0342 USER MOD Set 1.2: A 146 GLN : amide:sc= 0 X(o=0.034,f=0.034) USER MOD Set 2.1: A 38 GLN :FLIP amide:sc= 0.743 F(o=-0.92,f=1.5) USER MOD Set 2.2: A 48 TYR OH : rot 30:sc= 0.731 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl -163:sc= -2.76! (180deg=-3.37!) USER MOD Single : A 42 LYS NZ :NH3+ -172:sc= 0.958 (180deg=0.831) USER MOD Single : A 45 LYS NZ :NH3+ -131:sc= -1.11 (180deg=-3.38!) USER MOD Single : A 46 SER OG : rot 84:sc= 1.17 USER MOD Single : A 49 MET CE :methyl -177:sc= -1.89 (180deg=-1.97) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0138) 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 80:sc= -1.1 USER MOD Single : A 112 MET CE :methyl -164:sc= -0.0659 (180deg=-0.511) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 LYS NZ :NH3+ -115:sc= -0.698 (180deg=-2.51!) USER MOD Single : A 130 THR OG1 : rot 180:sc=-0.00579 USER MOD Single : A 134 GLN : amide:sc= -1.2 K(o=-1.2,f=-2.2!) USER MOD Single : A 135 SER OG : rot -13:sc= -2.23! USER MOD Single : A 142 LYS NZ :NH3+ 164:sc= -0.0695 (180deg=-0.342) USER MOD Single : A 145 GLN : amide:sc= -0.19 X(o=-0.19,f=-0.019) USER MOD Single : A 152 GLN :FLIP amide:sc= 0 F(o=-0.69,f=0) USER MOD Single : A 157 SER OG : rot 180:sc= 0 USER MOD Single : A 160 SER OG : rot -150:sc= -3.3! USER MOD Single : A 164 THR OG1 : rot 23:sc= 0.823 USER MOD ----------------------------------------------------------------- ATOM 308 N LYS A 25 -2.340 15.541 -24.723 1.00 8.70 N ATOM 309 CA LYS A 25 -2.559 16.948 -24.955 1.00 8.11 C ATOM 310 C LYS A 25 -2.990 17.572 -23.652 1.00 7.19 C ATOM 311 O LYS A 25 -4.077 18.133 -23.529 1.00 6.94 O ATOM 312 CB LYS A 25 -3.606 17.193 -26.042 1.00 8.62 C ATOM 313 CG LYS A 25 -3.053 17.278 -27.459 1.00 9.02 C ATOM 314 CD LYS A 25 -2.571 15.933 -27.966 1.00 9.74 C ATOM 315 CE LYS A 25 -2.096 16.022 -29.404 1.00 10.22 C ATOM 316 NZ LYS A 25 -1.550 14.729 -29.883 1.00 10.38 N1+ ATOM 0 HA LYS A 25 -1.634 17.401 -25.310 1.00 8.11 H new ATOM 0 HB2 LYS A 25 -4.343 16.391 -26.003 1.00 8.62 H new ATOM 0 HB3 LYS A 25 -4.132 18.121 -25.817 1.00 8.62 H new ATOM 0 HG2 LYS A 25 -3.825 17.661 -28.126 1.00 9.02 H new ATOM 0 HG3 LYS A 25 -2.229 17.991 -27.484 1.00 9.02 H new ATOM 0 HD2 LYS A 25 -1.758 15.574 -27.334 1.00 9.74 H new ATOM 0 HD3 LYS A 25 -3.378 15.204 -27.892 1.00 9.74 H new ATOM 0 HE2 LYS A 25 -2.925 16.326 -30.043 1.00 10.22 H new ATOM 0 HE3 LYS A 25 -1.330 16.793 -29.487 1.00 10.22 H new ATOM 0 HZ1 LYS A 25 -1.236 14.829 -30.869 1.00 10.38 H new ATOM 0 HZ2 LYS A 25 -0.743 14.452 -29.289 1.00 10.38 H new ATOM 0 HZ3 LYS A 25 -2.288 13.998 -29.827 1.00 10.38 H new ATOM 330 N ARG A 26 -2.117 17.446 -22.682 1.00 6.90 N ATOM 331 CA ARG A 26 -2.372 17.917 -21.343 1.00 6.23 C ATOM 332 C ARG A 26 -1.149 18.659 -20.832 1.00 5.83 C ATOM 333 O ARG A 26 -0.014 18.273 -21.111 1.00 6.27 O ATOM 334 CB ARG A 26 -2.727 16.732 -20.454 1.00 6.68 C ATOM 335 CG ARG A 26 -4.076 16.124 -20.800 1.00 7.16 C ATOM 336 CD ARG A 26 -5.032 16.136 -19.618 1.00 7.38 C ATOM 337 NE ARG A 26 -5.623 17.455 -19.383 1.00 7.54 N ATOM 338 CZ ARG A 26 -6.702 17.660 -18.628 1.00 7.99 C ATOM 339 NH1 ARG A 26 -7.287 16.645 -18.001 1.00 8.33 N1+ ATOM 340 NH2 ARG A 26 -7.205 18.878 -18.506 1.00 8.37 N ATOM 0 H ARG A 26 -1.203 17.010 -22.801 1.00 6.90 H new ATOM 0 HA ARG A 26 -3.214 18.609 -21.333 1.00 6.23 H new ATOM 0 HB2 ARG A 26 -1.954 15.969 -20.547 1.00 6.68 H new ATOM 0 HB3 ARG A 26 -2.734 17.053 -19.412 1.00 6.68 H new ATOM 0 HG2 ARG A 26 -4.519 16.676 -21.629 1.00 7.16 H new ATOM 0 HG3 ARG A 26 -3.934 15.098 -21.140 1.00 7.16 H new ATOM 0 HD2 ARG A 26 -5.828 15.412 -19.792 1.00 7.38 H new ATOM 0 HD3 ARG A 26 -4.500 15.816 -18.722 1.00 7.38 H new ATOM 0 HE ARG A 26 -5.183 18.264 -19.823 1.00 7.54 H new ATOM 0 HH11 ARG A 26 -6.911 15.702 -18.096 1.00 8.33 H new ATOM 0 HH12 ARG A 26 -8.112 16.809 -17.425 1.00 8.33 H new ATOM 0 HH21 ARG A 26 -6.767 19.662 -18.990 1.00 8.37 H new ATOM 0 HH22 ARG A 26 -8.031 19.033 -17.928 1.00 8.37 H new ATOM 354 N ILE A 27 -1.408 19.742 -20.120 1.00 5.15 N ATOM 355 CA ILE A 27 -0.385 20.705 -19.735 1.00 4.81 C ATOM 356 C ILE A 27 0.806 20.072 -19.061 1.00 5.34 C ATOM 357 O ILE A 27 0.705 19.472 -17.992 1.00 5.76 O ATOM 358 CB ILE A 27 -0.972 21.801 -18.833 1.00 4.32 C ATOM 359 CG1 ILE A 27 -2.030 22.573 -19.604 1.00 4.09 C ATOM 360 CG2 ILE A 27 0.119 22.731 -18.327 1.00 4.22 C ATOM 361 CD1 ILE A 27 -1.500 23.300 -20.820 1.00 4.18 C ATOM 0 H ILE A 27 -2.342 19.982 -19.789 1.00 5.15 H new ATOM 0 HA ILE A 27 -0.029 21.149 -20.665 1.00 4.81 H new ATOM 0 HB ILE A 27 -1.434 21.336 -17.962 1.00 4.32 H new ATOM 0 HG12 ILE A 27 -2.811 21.882 -19.919 1.00 4.09 H new ATOM 0 HG13 ILE A 27 -2.496 23.297 -18.935 1.00 4.09 H new ATOM 0 HG21 ILE A 27 -0.323 23.498 -17.691 1.00 4.22 H new ATOM 0 HG22 ILE A 27 0.848 22.159 -17.753 1.00 4.22 H new ATOM 0 HG23 ILE A 27 0.616 23.204 -19.174 1.00 4.22 H new ATOM 0 HD11 ILE A 27 -2.317 23.826 -21.314 1.00 4.18 H new ATOM 0 HD12 ILE A 27 -0.740 24.018 -20.512 1.00 4.18 H new ATOM 0 HD13 ILE A 27 -1.061 22.581 -21.511 1.00 4.18 H new ATOM 373 N LEU A 28 1.939 20.241 -19.714 1.00 5.52 N ATOM 374 CA LEU A 28 3.187 19.688 -19.257 1.00 6.20 C ATOM 375 C LEU A 28 4.101 20.805 -18.754 1.00 6.05 C ATOM 376 O LEU A 28 4.873 20.614 -17.815 1.00 6.59 O ATOM 377 CB LEU A 28 3.835 18.944 -20.421 1.00 6.86 C ATOM 378 CG LEU A 28 4.746 17.776 -20.035 1.00 7.51 C ATOM 379 CD1 LEU A 28 3.945 16.679 -19.347 1.00 8.22 C ATOM 380 CD2 LEU A 28 5.459 17.230 -21.263 1.00 7.71 C ATOM 0 H LEU A 28 2.014 20.771 -20.582 1.00 5.52 H new ATOM 0 HA LEU A 28 3.016 18.998 -18.431 1.00 6.20 H new ATOM 0 HB2 LEU A 28 3.046 18.566 -21.072 1.00 6.86 H new ATOM 0 HB3 LEU A 28 4.416 19.657 -21.006 1.00 6.86 H new ATOM 0 HG LEU A 28 5.498 18.140 -19.335 1.00 7.51 H new ATOM 0 HD11 LEU A 28 4.609 15.857 -19.080 1.00 8.22 H new ATOM 0 HD12 LEU A 28 3.481 17.078 -18.445 1.00 8.22 H new ATOM 0 HD13 LEU A 28 3.171 16.315 -20.023 1.00 8.22 H new ATOM 0 HD21 LEU A 28 6.103 16.400 -20.971 1.00 7.71 H new ATOM 0 HD22 LEU A 28 4.722 16.881 -21.986 1.00 7.71 H new ATOM 0 HD23 LEU A 28 6.064 18.017 -21.713 1.00 7.71 H new ATOM 392 N TYR A 29 3.986 21.977 -19.385 1.00 5.47 N ATOM 393 CA TYR A 29 4.797 23.145 -19.044 1.00 5.43 C ATOM 394 C TYR A 29 4.410 24.318 -19.942 1.00 4.86 C ATOM 395 O TYR A 29 3.476 24.222 -20.740 1.00 4.58 O ATOM 396 CB TYR A 29 6.289 22.834 -19.202 1.00 6.20 C ATOM 397 CG TYR A 29 6.713 22.565 -20.624 1.00 6.41 C ATOM 398 CD1 TYR A 29 6.505 21.327 -21.200 1.00 6.76 C ATOM 399 CD2 TYR A 29 7.309 23.554 -21.387 1.00 6.48 C ATOM 400 CE1 TYR A 29 6.884 21.071 -22.499 1.00 7.24 C ATOM 401 CE2 TYR A 29 7.691 23.312 -22.689 1.00 6.91 C ATOM 402 CZ TYR A 29 7.474 22.069 -23.242 1.00 7.33 C ATOM 403 OH TYR A 29 7.858 21.819 -24.537 1.00 7.99 O ATOM 0 H TYR A 29 3.327 22.141 -20.146 1.00 5.47 H new ATOM 0 HA TYR A 29 4.610 23.408 -18.003 1.00 5.43 H new ATOM 0 HB2 TYR A 29 6.867 23.672 -18.814 1.00 6.20 H new ATOM 0 HB3 TYR A 29 6.535 21.966 -18.590 1.00 6.20 H new ATOM 0 HD1 TYR A 29 6.036 20.545 -20.621 1.00 6.76 H new ATOM 0 HD2 TYR A 29 7.477 24.530 -20.956 1.00 6.48 H new ATOM 0 HE1 TYR A 29 6.720 20.095 -22.932 1.00 7.24 H new ATOM 0 HE2 TYR A 29 8.158 24.092 -23.272 1.00 6.91 H new ATOM 0 HH TYR A 29 8.257 22.627 -24.922 1.00 7.99 H new ATOM 413 N TRP A 30 5.132 25.422 -19.788 1.00 4.95 N ATOM 414 CA TRP A 30 4.847 26.659 -20.506 1.00 4.73 C ATOM 415 C TRP A 30 6.019 27.058 -21.384 1.00 5.18 C ATOM 416 O TRP A 30 7.157 26.682 -21.114 1.00 5.61 O ATOM 417 CB TRP A 30 4.573 27.775 -19.505 1.00 4.74 C ATOM 418 CG TRP A 30 3.119 28.023 -19.279 1.00 4.48 C ATOM 419 CD1 TRP A 30 2.387 29.065 -19.763 1.00 4.66 C ATOM 420 CD2 TRP A 30 2.215 27.214 -18.523 1.00 4.33 C ATOM 421 NE1 TRP A 30 1.087 28.962 -19.337 1.00 4.65 N ATOM 422 CE2 TRP A 30 0.958 27.836 -18.576 1.00 4.37 C ATOM 423 CE3 TRP A 30 2.348 26.029 -17.800 1.00 4.46 C ATOM 424 CZ2 TRP A 30 -0.159 27.313 -17.935 1.00 4.41 C ATOM 425 CZ3 TRP A 30 1.240 25.510 -17.167 1.00 4.49 C ATOM 426 CH2 TRP A 30 -0.001 26.152 -17.239 1.00 4.40 C ATOM 0 H TRP A 30 5.933 25.485 -19.160 1.00 4.95 H new ATOM 0 HA TRP A 30 3.974 26.496 -21.138 1.00 4.73 H new ATOM 0 HB2 TRP A 30 5.044 27.524 -18.554 1.00 4.74 H new ATOM 0 HB3 TRP A 30 5.040 28.694 -19.859 1.00 4.74 H new ATOM 0 HD1 TRP A 30 2.773 29.855 -20.390 1.00 4.66 H new ATOM 0 HE1 TRP A 30 0.338 29.620 -19.554 1.00 4.65 H new ATOM 0 HE3 TRP A 30 3.302 25.527 -17.737 1.00 4.46 H new ATOM 0 HZ2 TRP A 30 -1.117 27.809 -17.987 1.00 4.41 H new ATOM 0 HZ3 TRP A 30 1.331 24.592 -16.606 1.00 4.49 H new ATOM 0 HH2 TRP A 30 -0.851 25.719 -16.733 1.00 4.40 H new ATOM 437 N ARG A 31 5.721 27.816 -22.429 1.00 5.31 N ATOM 438 CA ARG A 31 6.719 28.257 -23.391 1.00 5.89 C ATOM 439 C ARG A 31 6.162 29.401 -24.219 1.00 6.18 C ATOM 440 O ARG A 31 4.953 29.470 -24.455 1.00 6.15 O ATOM 441 CB ARG A 31 7.089 27.102 -24.322 1.00 6.39 C ATOM 442 CG ARG A 31 5.905 26.573 -25.117 1.00 6.58 C ATOM 443 CD ARG A 31 6.310 25.444 -26.045 1.00 7.25 C ATOM 444 NE ARG A 31 5.158 24.879 -26.744 1.00 7.68 N ATOM 445 CZ ARG A 31 5.216 23.810 -27.536 1.00 8.49 C ATOM 446 NH1 ARG A 31 6.379 23.222 -27.780 1.00 8.90 N1+ ATOM 447 NH2 ARG A 31 4.111 23.337 -28.096 1.00 9.06 N ATOM 0 H ARG A 31 4.777 28.143 -22.634 1.00 5.31 H new ATOM 0 HA ARG A 31 7.606 28.590 -22.852 1.00 5.89 H new ATOM 0 HB2 ARG A 31 7.864 27.434 -25.013 1.00 6.39 H new ATOM 0 HB3 ARG A 31 7.515 26.290 -23.732 1.00 6.39 H new ATOM 0 HG2 ARG A 31 5.134 26.221 -24.431 1.00 6.58 H new ATOM 0 HG3 ARG A 31 5.467 27.383 -25.700 1.00 6.58 H new ATOM 0 HD2 ARG A 31 7.032 25.813 -26.773 1.00 7.25 H new ATOM 0 HD3 ARG A 31 6.807 24.662 -25.471 1.00 7.25 H new ATOM 0 HE ARG A 31 4.253 25.332 -26.617 1.00 7.68 H new ATOM 0 HH11 ARG A 31 7.234 23.588 -27.360 1.00 8.90 H new ATOM 0 HH12 ARG A 31 6.419 22.403 -28.387 1.00 8.90 H new ATOM 0 HH21 ARG A 31 3.215 23.792 -27.920 1.00 9.06 H new ATOM 0 HH22 ARG A 31 4.157 22.518 -28.702 1.00 9.06 H new ATOM 461 N ASP A 32 7.025 30.316 -24.637 1.00 6.64 N ATOM 462 CA ASP A 32 6.618 31.313 -25.608 1.00 7.19 C ATOM 463 C ASP A 32 6.431 30.645 -26.949 1.00 7.82 C ATOM 464 O ASP A 32 7.200 29.762 -27.328 1.00 8.07 O ATOM 465 CB ASP A 32 7.638 32.433 -25.807 1.00 7.56 C ATOM 466 CG ASP A 32 7.881 33.302 -24.613 1.00 7.94 C ATOM 467 OD1 ASP A 32 7.175 34.329 -24.481 1.00 8.10 O ATOM 468 OD2 ASP A 32 8.812 33.002 -23.846 1.00 8.31 O1- ATOM 0 H ASP A 32 7.993 30.387 -24.324 1.00 6.64 H new ATOM 0 HA ASP A 32 5.700 31.755 -25.220 1.00 7.19 H new ATOM 0 HB2 ASP A 32 8.586 31.988 -26.110 1.00 7.56 H new ATOM 0 HB3 ASP A 32 7.304 33.063 -26.631 1.00 7.56 H new ATOM 473 N PRO A 33 5.423 31.074 -27.691 1.00 8.28 N ATOM 474 CA PRO A 33 5.158 30.581 -29.039 1.00 9.11 C ATOM 475 C PRO A 33 6.229 31.024 -30.043 1.00 9.74 C ATOM 476 O PRO A 33 6.289 30.517 -31.161 1.00 10.41 O ATOM 477 CB PRO A 33 3.789 31.173 -29.358 1.00 9.60 C ATOM 478 CG PRO A 33 3.785 32.422 -28.573 1.00 8.98 C ATOM 479 CD PRO A 33 4.436 32.073 -27.275 1.00 8.23 C ATOM 0 HA PRO A 33 5.177 29.493 -29.103 1.00 9.11 H new ATOM 0 HB2 PRO A 33 3.669 31.365 -30.424 1.00 9.60 H new ATOM 0 HB3 PRO A 33 2.980 30.506 -29.061 1.00 9.60 H new ATOM 0 HG2 PRO A 33 4.332 33.212 -29.088 1.00 8.98 H new ATOM 0 HG3 PRO A 33 2.769 32.786 -28.418 1.00 8.98 H new ATOM 0 HD2 PRO A 33 4.904 32.939 -26.807 1.00 8.23 H new ATOM 0 HD3 PRO A 33 3.723 31.668 -26.556 1.00 8.23 H new ATOM 487 N MET A 34 7.080 31.961 -29.633 1.00 9.60 N ATOM 488 CA MET A 34 8.206 32.397 -30.459 1.00 10.19 C ATOM 489 C MET A 34 9.513 31.789 -29.975 1.00 9.99 C ATOM 490 O MET A 34 10.574 32.046 -30.543 1.00 10.53 O ATOM 491 CB MET A 34 8.330 33.917 -30.506 1.00 10.40 C ATOM 492 CG MET A 34 8.525 34.585 -29.162 1.00 10.85 C ATOM 493 SD MET A 34 7.110 34.329 -28.092 1.00 10.55 S ATOM 494 CE MET A 34 5.822 35.079 -29.072 1.00 10.30 C ATOM 0 H MET A 34 7.012 32.435 -28.732 1.00 9.60 H new ATOM 0 HA MET A 34 8.003 32.043 -31.470 1.00 10.19 H new ATOM 0 HB2 MET A 34 9.170 34.178 -31.150 1.00 10.40 H new ATOM 0 HB3 MET A 34 7.433 34.325 -30.971 1.00 10.40 H new ATOM 0 HG2 MET A 34 9.421 34.189 -28.684 1.00 10.85 H new ATOM 0 HG3 MET A 34 8.686 35.653 -29.305 1.00 10.85 H new ATOM 0 HE1 MET A 34 4.954 35.277 -28.442 1.00 10.30 H new ATOM 0 HE2 MET A 34 6.185 36.016 -29.495 1.00 10.30 H new ATOM 0 HE3 MET A 34 5.538 34.403 -29.879 1.00 10.30 H new ATOM 504 N VAL A 35 9.435 30.966 -28.937 1.00 9.32 N ATOM 505 CA VAL A 35 10.627 30.278 -28.427 1.00 9.27 C ATOM 506 C VAL A 35 10.451 28.734 -28.377 1.00 9.25 C ATOM 507 O VAL A 35 10.946 28.078 -27.457 1.00 8.98 O ATOM 508 CB VAL A 35 11.014 30.826 -27.025 1.00 8.70 C ATOM 509 CG1 VAL A 35 10.995 32.348 -27.036 1.00 8.84 C ATOM 510 CG2 VAL A 35 10.110 30.263 -25.931 1.00 7.95 C ATOM 0 H VAL A 35 8.573 30.757 -28.433 1.00 9.32 H new ATOM 0 HA VAL A 35 11.436 30.483 -29.128 1.00 9.27 H new ATOM 0 HB VAL A 35 12.027 30.495 -26.796 1.00 8.70 H new ATOM 0 HG11 VAL A 35 11.267 32.722 -26.049 1.00 8.84 H new ATOM 0 HG12 VAL A 35 11.709 32.715 -27.773 1.00 8.84 H new ATOM 0 HG13 VAL A 35 9.995 32.698 -27.293 1.00 8.84 H new ATOM 0 HG21 VAL A 35 10.411 30.669 -24.965 1.00 7.95 H new ATOM 0 HG22 VAL A 35 9.076 30.541 -26.135 1.00 7.95 H new ATOM 0 HG23 VAL A 35 10.197 29.177 -25.911 1.00 7.95 H new ATOM 520 N PRO A 36 9.797 28.112 -29.388 1.00 9.74 N ATOM 521 CA PRO A 36 9.509 26.671 -29.368 1.00 9.85 C ATOM 522 C PRO A 36 10.767 25.830 -29.148 1.00 10.22 C ATOM 523 O PRO A 36 11.758 25.973 -29.866 1.00 10.95 O ATOM 524 CB PRO A 36 8.915 26.388 -30.754 1.00 10.65 C ATOM 525 CG PRO A 36 9.294 27.566 -31.584 1.00 11.10 C ATOM 526 CD PRO A 36 9.324 28.724 -30.634 1.00 10.41 C ATOM 0 HA PRO A 36 8.839 26.410 -28.548 1.00 9.85 H new ATOM 0 HB2 PRO A 36 9.314 25.465 -31.174 1.00 10.65 H new ATOM 0 HB3 PRO A 36 7.832 26.273 -30.703 1.00 10.65 H new ATOM 0 HG2 PRO A 36 10.265 27.419 -32.056 1.00 11.10 H new ATOM 0 HG3 PRO A 36 8.573 27.732 -32.384 1.00 11.10 H new ATOM 0 HD2 PRO A 36 9.995 29.511 -30.978 1.00 10.41 H new ATOM 0 HD3 PRO A 36 8.339 29.174 -30.514 1.00 10.41 H new ATOM 534 N GLY A 37 10.719 24.963 -28.149 1.00 9.82 N ATOM 535 CA GLY A 37 11.880 24.177 -27.782 1.00 10.31 C ATOM 536 C GLY A 37 12.355 24.522 -26.387 1.00 9.86 C ATOM 537 O GLY A 37 13.182 23.820 -25.802 1.00 10.21 O ATOM 0 H GLY A 37 9.890 24.788 -27.581 1.00 9.82 H new ATOM 0 HA2 GLY A 37 11.635 23.116 -27.834 1.00 10.31 H new ATOM 0 HA3 GLY A 37 12.683 24.354 -28.497 1.00 10.31 H new ATOM 541 N GLN A 38 11.827 25.616 -25.863 1.00 9.21 N ATOM 542 CA GLN A 38 12.152 26.072 -24.524 1.00 8.88 C ATOM 543 C GLN A 38 11.180 25.477 -23.509 1.00 8.38 C ATOM 544 O GLN A 38 10.009 25.850 -23.450 1.00 8.00 O ATOM 545 CB GLN A 38 12.115 27.597 -24.492 1.00 8.51 C ATOM 546 CG GLN A 38 12.390 28.223 -23.137 1.00 8.11 C ATOM 547 CD GLN A 38 13.613 27.663 -22.449 1.00 8.18 C ATOM 548 OE1 GLN A 38 13.387 26.690 -21.597 1.00 8.47 O flip ATOM 549 NE2 GLN A 38 14.734 28.121 -22.651 1.00 8.21 N flip ATOM 0 H GLN A 38 11.161 26.212 -26.355 1.00 9.21 H new ATOM 0 HA GLN A 38 13.154 25.737 -24.256 1.00 8.88 H new ATOM 0 HB2 GLN A 38 12.847 27.977 -25.205 1.00 8.51 H new ATOM 0 HB3 GLN A 38 11.135 27.928 -24.835 1.00 8.51 H new ATOM 0 HG2 GLN A 38 12.514 29.299 -23.262 1.00 8.11 H new ATOM 0 HG3 GLN A 38 11.522 28.074 -22.495 1.00 8.11 H new ATOM 0 HE21 GLN A 38 14.862 28.878 -23.323 1.00 8.21 H new ATOM 0 HE22 GLN A 38 15.537 27.745 -22.147 1.00 8.21 H new ATOM 558 N ARG A 39 11.679 24.544 -22.718 1.00 8.53 N ATOM 559 CA ARG A 39 10.887 23.883 -21.698 1.00 8.21 C ATOM 560 C ARG A 39 11.021 24.641 -20.382 1.00 8.04 C ATOM 561 O ARG A 39 12.000 24.471 -19.657 1.00 8.70 O ATOM 562 CB ARG A 39 11.392 22.449 -21.532 1.00 8.96 C ATOM 563 CG ARG A 39 10.352 21.469 -20.999 1.00 8.86 C ATOM 564 CD ARG A 39 9.923 21.790 -19.577 1.00 9.10 C ATOM 565 NE ARG A 39 11.019 21.681 -18.620 1.00 10.02 N ATOM 566 CZ ARG A 39 10.839 21.576 -17.304 1.00 10.60 C ATOM 567 NH1 ARG A 39 9.613 21.542 -16.801 1.00 10.42 N1+ ATOM 568 NH2 ARG A 39 11.885 21.493 -16.493 1.00 11.51 N ATOM 0 H ARG A 39 12.646 24.223 -22.765 1.00 8.53 H new ATOM 0 HA ARG A 39 9.837 23.866 -21.991 1.00 8.21 H new ATOM 0 HB2 ARG A 39 11.750 22.090 -22.497 1.00 8.96 H new ATOM 0 HB3 ARG A 39 12.247 22.455 -20.856 1.00 8.96 H new ATOM 0 HG2 ARG A 39 9.478 21.482 -21.650 1.00 8.86 H new ATOM 0 HG3 ARG A 39 10.759 20.458 -21.033 1.00 8.86 H new ATOM 0 HD2 ARG A 39 9.516 22.801 -19.544 1.00 9.10 H new ATOM 0 HD3 ARG A 39 9.120 21.114 -19.283 1.00 9.10 H new ATOM 0 HE ARG A 39 11.974 21.685 -18.978 1.00 10.02 H new ATOM 0 HH11 ARG A 39 8.805 21.596 -17.422 1.00 10.42 H new ATOM 0 HH12 ARG A 39 9.477 21.462 -15.793 1.00 10.42 H new ATOM 0 HH21 ARG A 39 12.830 21.509 -16.876 1.00 11.51 H new ATOM 0 HH22 ARG A 39 11.744 21.413 -15.486 1.00 11.51 H new ATOM 582 N PHE A 40 10.054 25.500 -20.093 1.00 7.31 N ATOM 583 CA PHE A 40 10.069 26.254 -18.847 1.00 7.34 C ATOM 584 C PHE A 40 9.630 25.381 -17.686 1.00 7.47 C ATOM 585 O PHE A 40 8.772 24.511 -17.831 1.00 7.06 O ATOM 586 CB PHE A 40 9.159 27.477 -18.936 1.00 6.76 C ATOM 587 CG PHE A 40 9.702 28.574 -19.804 1.00 6.92 C ATOM 588 CD1 PHE A 40 10.547 29.532 -19.276 1.00 7.27 C ATOM 589 CD2 PHE A 40 9.358 28.654 -21.140 1.00 6.93 C ATOM 590 CE1 PHE A 40 11.039 30.549 -20.066 1.00 7.50 C ATOM 591 CE2 PHE A 40 9.846 29.668 -21.938 1.00 7.26 C ATOM 592 CZ PHE A 40 10.689 30.619 -21.401 1.00 7.49 C ATOM 0 H PHE A 40 9.256 25.692 -20.698 1.00 7.31 H new ATOM 0 HA PHE A 40 11.093 26.588 -18.677 1.00 7.34 H new ATOM 0 HB2 PHE A 40 8.188 27.168 -19.322 1.00 6.76 H new ATOM 0 HB3 PHE A 40 8.993 27.869 -17.932 1.00 6.76 H new ATOM 0 HD1 PHE A 40 10.825 29.483 -18.233 1.00 7.27 H new ATOM 0 HD2 PHE A 40 8.698 27.912 -21.565 1.00 6.93 H new ATOM 0 HE1 PHE A 40 11.698 31.291 -19.641 1.00 7.50 H new ATOM 0 HE2 PHE A 40 9.569 29.717 -22.981 1.00 7.26 H new ATOM 0 HZ PHE A 40 11.074 31.415 -22.021 1.00 7.49 H new ATOM 602 N ASP A 41 10.228 25.665 -16.532 1.00 8.18 N ATOM 603 CA ASP A 41 10.039 24.890 -15.306 1.00 8.62 C ATOM 604 C ASP A 41 8.597 24.949 -14.834 1.00 8.07 C ATOM 605 O ASP A 41 8.117 24.034 -14.168 1.00 8.18 O ATOM 606 CB ASP A 41 10.966 25.453 -14.223 1.00 9.62 C ATOM 607 CG ASP A 41 10.769 24.803 -12.866 1.00 10.23 C ATOM 608 OD1 ASP A 41 11.413 23.767 -12.603 1.00 10.61 O ATOM 609 OD2 ASP A 41 9.953 25.308 -12.067 1.00 10.48 O1- ATOM 0 H ASP A 41 10.867 26.452 -16.419 1.00 8.18 H new ATOM 0 HA ASP A 41 10.280 23.846 -15.506 1.00 8.62 H new ATOM 0 HB2 ASP A 41 12.002 25.319 -14.535 1.00 9.62 H new ATOM 0 HB3 ASP A 41 10.797 26.526 -14.132 1.00 9.62 H new ATOM 614 N LYS A 42 7.913 26.026 -15.190 1.00 7.60 N ATOM 615 CA LYS A 42 6.532 26.232 -14.790 1.00 7.23 C ATOM 616 C LYS A 42 5.964 27.460 -15.482 1.00 6.69 C ATOM 617 O LYS A 42 6.729 28.216 -16.089 1.00 6.78 O ATOM 618 CB LYS A 42 6.414 26.387 -13.265 1.00 8.14 C ATOM 619 CG LYS A 42 7.316 27.473 -12.698 1.00 8.90 C ATOM 620 CD LYS A 42 7.017 27.749 -11.229 1.00 9.77 C ATOM 621 CE LYS A 42 5.614 28.316 -11.024 1.00 10.52 C ATOM 622 NZ LYS A 42 5.426 29.629 -11.704 1.00 10.91 N1+ ATOM 0 H LYS A 42 8.299 26.778 -15.762 1.00 7.60 H new ATOM 0 HA LYS A 42 5.959 25.354 -15.089 1.00 7.23 H new ATOM 0 HB2 LYS A 42 5.379 26.614 -13.009 1.00 8.14 H new ATOM 0 HB3 LYS A 42 6.659 25.437 -12.790 1.00 8.14 H new ATOM 0 HG2 LYS A 42 8.358 27.173 -12.806 1.00 8.90 H new ATOM 0 HG3 LYS A 42 7.187 28.390 -13.273 1.00 8.90 H new ATOM 0 HD2 LYS A 42 7.121 26.826 -10.659 1.00 9.77 H new ATOM 0 HD3 LYS A 42 7.752 28.451 -10.836 1.00 9.77 H new ATOM 0 HE2 LYS A 42 4.879 27.605 -11.403 1.00 10.52 H new ATOM 0 HE3 LYS A 42 5.425 28.432 -9.957 1.00 10.52 H new ATOM 0 HZ1 LYS A 42 4.510 30.036 -11.426 1.00 10.91 H new ATOM 0 HZ2 LYS A 42 6.191 30.276 -11.427 1.00 10.91 H new ATOM 0 HZ3 LYS A 42 5.445 29.492 -12.735 1.00 10.91 H new ATOM 636 N PRO A 43 4.642 27.683 -15.429 1.00 6.27 N ATOM 637 CA PRO A 43 4.027 28.906 -15.957 1.00 6.04 C ATOM 638 C PRO A 43 4.685 30.180 -15.407 1.00 6.80 C ATOM 639 O PRO A 43 5.497 30.132 -14.473 1.00 7.51 O ATOM 640 CB PRO A 43 2.560 28.801 -15.503 1.00 6.00 C ATOM 641 CG PRO A 43 2.556 27.725 -14.468 1.00 6.35 C ATOM 642 CD PRO A 43 3.624 26.769 -14.900 1.00 6.19 C ATOM 0 HA PRO A 43 4.140 28.983 -17.038 1.00 6.04 H new ATOM 0 HB2 PRO A 43 2.205 29.746 -15.092 1.00 6.00 H new ATOM 0 HB3 PRO A 43 1.905 28.550 -16.337 1.00 6.00 H new ATOM 0 HG2 PRO A 43 2.765 28.129 -13.478 1.00 6.35 H new ATOM 0 HG3 PRO A 43 1.585 27.233 -14.413 1.00 6.35 H new ATOM 0 HD2 PRO A 43 4.001 26.173 -14.069 1.00 6.19 H new ATOM 0 HD3 PRO A 43 3.267 26.071 -15.657 1.00 6.19 H new ATOM 650 N GLY A 44 4.341 31.313 -15.994 1.00 6.81 N ATOM 651 CA GLY A 44 4.923 32.571 -15.578 1.00 7.59 C ATOM 652 C GLY A 44 5.144 33.497 -16.750 1.00 7.56 C ATOM 653 O GLY A 44 4.523 33.328 -17.800 1.00 7.08 O ATOM 0 H GLY A 44 3.666 31.385 -16.755 1.00 6.81 H new ATOM 0 HA2 GLY A 44 4.268 33.053 -14.852 1.00 7.59 H new ATOM 0 HA3 GLY A 44 5.873 32.385 -15.077 1.00 7.59 H new ATOM 657 N LYS A 45 6.018 34.478 -16.579 1.00 8.20 N ATOM 658 CA LYS A 45 6.350 35.398 -17.645 1.00 8.37 C ATOM 659 C LYS A 45 7.670 35.004 -18.304 1.00 8.15 C ATOM 660 O LYS A 45 8.544 34.395 -17.681 1.00 8.27 O ATOM 661 CB LYS A 45 6.451 36.807 -17.080 1.00 9.30 C ATOM 662 CG LYS A 45 6.548 37.864 -18.158 1.00 9.65 C ATOM 663 CD LYS A 45 6.541 39.262 -17.597 1.00 10.42 C ATOM 664 CE LYS A 45 7.788 39.599 -16.779 1.00 11.07 C ATOM 665 NZ LYS A 45 7.773 39.000 -15.412 1.00 11.68 N1+ ATOM 0 H LYS A 45 6.511 34.654 -15.703 1.00 8.20 H new ATOM 0 HA LYS A 45 5.566 35.362 -18.401 1.00 8.37 H new ATOM 0 HB2 LYS A 45 5.579 37.008 -16.458 1.00 9.30 H new ATOM 0 HB3 LYS A 45 7.326 36.873 -16.433 1.00 9.30 H new ATOM 0 HG2 LYS A 45 7.462 37.711 -18.732 1.00 9.65 H new ATOM 0 HG3 LYS A 45 5.714 37.750 -18.851 1.00 9.65 H new ATOM 0 HD2 LYS A 45 6.452 39.974 -18.418 1.00 10.42 H new ATOM 0 HD3 LYS A 45 5.659 39.388 -16.969 1.00 10.42 H new ATOM 0 HE2 LYS A 45 8.671 39.248 -17.313 1.00 11.07 H new ATOM 0 HE3 LYS A 45 7.877 40.682 -16.693 1.00 11.07 H new ATOM 0 HZ1 LYS A 45 8.007 39.731 -14.710 1.00 11.68 H new ATOM 0 HZ2 LYS A 45 6.827 38.618 -15.211 1.00 11.68 H new ATOM 0 HZ3 LYS A 45 8.474 38.234 -15.361 1.00 11.68 H new ATOM 679 N SER A 46 7.777 35.348 -19.581 1.00 8.03 N ATOM 680 CA SER A 46 8.951 35.053 -20.390 1.00 7.98 C ATOM 681 C SER A 46 10.168 35.847 -19.934 1.00 8.64 C ATOM 682 O SER A 46 10.045 36.992 -19.497 1.00 9.20 O ATOM 683 CB SER A 46 8.658 35.386 -21.847 1.00 8.03 C ATOM 684 OG SER A 46 9.759 35.061 -22.679 1.00 8.36 O ATOM 0 H SER A 46 7.044 35.844 -20.088 1.00 8.03 H new ATOM 0 HA SER A 46 9.176 33.993 -20.276 1.00 7.98 H new ATOM 0 HB2 SER A 46 7.775 34.839 -22.177 1.00 8.03 H new ATOM 0 HB3 SER A 46 8.429 36.447 -21.941 1.00 8.03 H new ATOM 0 HG SER A 46 9.718 34.112 -22.920 1.00 8.36 H new ATOM 690 N PRO A 47 11.362 35.243 -20.031 1.00 8.70 N ATOM 691 CA PRO A 47 12.618 35.931 -19.764 1.00 9.38 C ATOM 692 C PRO A 47 13.108 36.697 -20.990 1.00 9.63 C ATOM 693 O PRO A 47 13.920 37.620 -20.895 1.00 10.25 O ATOM 694 CB PRO A 47 13.563 34.779 -19.432 1.00 9.45 C ATOM 695 CG PRO A 47 13.070 33.644 -20.257 1.00 8.81 C ATOM 696 CD PRO A 47 11.580 33.828 -20.394 1.00 8.26 C ATOM 0 HA PRO A 47 12.538 36.677 -18.973 1.00 9.38 H new ATOM 0 HB2 PRO A 47 14.595 35.029 -19.677 1.00 9.45 H new ATOM 0 HB3 PRO A 47 13.537 34.538 -18.369 1.00 9.45 H new ATOM 0 HG2 PRO A 47 13.551 33.638 -21.235 1.00 8.81 H new ATOM 0 HG3 PRO A 47 13.301 32.690 -19.782 1.00 8.81 H new ATOM 0 HD2 PRO A 47 11.243 33.620 -21.410 1.00 8.26 H new ATOM 0 HD3 PRO A 47 11.032 33.157 -19.733 1.00 8.26 H new ATOM 704 N TYR A 48 12.584 36.291 -22.151 1.00 9.26 N ATOM 705 CA TYR A 48 13.014 36.810 -23.428 1.00 9.61 C ATOM 706 C TYR A 48 12.329 38.129 -23.687 1.00 9.96 C ATOM 707 O TYR A 48 12.911 39.037 -24.270 1.00 10.49 O ATOM 708 CB TYR A 48 12.666 35.807 -24.517 1.00 9.34 C ATOM 709 CG TYR A 48 13.297 34.450 -24.317 1.00 9.17 C ATOM 710 CD1 TYR A 48 14.676 34.293 -24.349 1.00 9.63 C ATOM 711 CD2 TYR A 48 12.515 33.327 -24.077 1.00 8.69 C ATOM 712 CE1 TYR A 48 15.256 33.055 -24.154 1.00 9.70 C ATOM 713 CE2 TYR A 48 13.087 32.089 -23.880 1.00 8.75 C ATOM 714 CZ TYR A 48 14.457 31.958 -23.920 1.00 9.30 C ATOM 715 OH TYR A 48 15.032 30.725 -23.723 1.00 9.57 O ATOM 0 H TYR A 48 11.847 35.589 -22.218 1.00 9.26 H new ATOM 0 HA TYR A 48 14.092 36.969 -23.424 1.00 9.61 H new ATOM 0 HB2 TYR A 48 11.583 35.691 -24.559 1.00 9.34 H new ATOM 0 HB3 TYR A 48 12.982 36.206 -25.481 1.00 9.34 H new ATOM 0 HD1 TYR A 48 15.305 35.152 -24.529 1.00 9.63 H new ATOM 0 HD2 TYR A 48 11.440 33.426 -24.044 1.00 8.69 H new ATOM 0 HE1 TYR A 48 16.330 32.948 -24.185 1.00 9.70 H new ATOM 0 HE2 TYR A 48 12.464 31.226 -23.695 1.00 8.75 H new ATOM 0 HH TYR A 48 15.915 30.838 -23.314 1.00 9.57 H new ATOM 725 N MET A 49 11.070 38.202 -23.289 1.00 9.74 N ATOM 726 CA MET A 49 10.334 39.442 -23.319 1.00 10.23 C ATOM 727 C MET A 49 9.223 39.429 -22.259 1.00 10.20 C ATOM 728 O MET A 49 8.944 38.390 -21.666 1.00 9.87 O ATOM 729 CB MET A 49 9.761 39.676 -24.694 1.00 10.28 C ATOM 730 CG MET A 49 8.625 38.760 -25.022 1.00 10.38 C ATOM 731 SD MET A 49 9.050 37.010 -25.058 1.00 10.09 S ATOM 732 CE MET A 49 10.280 36.973 -26.338 1.00 9.55 C ATOM 0 H MET A 49 10.537 37.406 -22.939 1.00 9.74 H new ATOM 0 HA MET A 49 11.015 40.261 -23.088 1.00 10.23 H new ATOM 0 HB2 MET A 49 9.420 40.709 -24.768 1.00 10.28 H new ATOM 0 HB3 MET A 49 10.549 39.547 -25.436 1.00 10.28 H new ATOM 0 HG2 MET A 49 7.832 38.912 -24.290 1.00 10.38 H new ATOM 0 HG3 MET A 49 8.220 39.041 -25.994 1.00 10.38 H new ATOM 0 HE1 MET A 49 10.597 35.944 -26.508 1.00 9.55 H new ATOM 0 HE2 MET A 49 9.860 37.381 -27.258 1.00 9.55 H new ATOM 0 HE3 MET A 49 11.139 37.572 -26.035 1.00 9.55 H new ATOM 742 N ASP A 50 8.571 40.562 -22.043 1.00 10.69 N ATOM 743 CA ASP A 50 7.633 40.714 -20.923 1.00 10.83 C ATOM 744 C ASP A 50 6.187 40.380 -21.289 1.00 10.64 C ATOM 745 O ASP A 50 5.342 41.256 -21.476 1.00 11.23 O ATOM 746 CB ASP A 50 7.721 42.126 -20.362 1.00 11.76 C ATOM 747 CG ASP A 50 7.613 43.204 -21.425 1.00 12.21 C ATOM 748 OD1 ASP A 50 8.558 43.358 -22.229 1.00 12.33 O1- ATOM 749 OD2 ASP A 50 6.576 43.899 -21.467 1.00 12.54 O ATOM 0 H ASP A 50 8.669 41.394 -22.625 1.00 10.69 H new ATOM 0 HA ASP A 50 7.932 39.989 -20.165 1.00 10.83 H new ATOM 0 HB2 ASP A 50 6.927 42.268 -19.629 1.00 11.76 H new ATOM 0 HB3 ASP A 50 8.667 42.241 -19.833 1.00 11.76 H new ATOM 754 N MET A 51 5.924 39.096 -21.378 1.00 9.87 N ATOM 755 CA MET A 51 4.571 38.564 -21.573 1.00 9.64 C ATOM 756 C MET A 51 4.461 37.275 -20.786 1.00 8.84 C ATOM 757 O MET A 51 5.454 36.556 -20.640 1.00 8.36 O ATOM 758 CB MET A 51 4.282 38.266 -23.050 1.00 9.70 C ATOM 759 CG MET A 51 5.130 37.148 -23.583 1.00 9.43 C ATOM 760 SD MET A 51 4.855 36.801 -25.316 1.00 9.38 S ATOM 761 CE MET A 51 3.868 35.318 -25.215 1.00 9.04 C ATOM 0 H MET A 51 6.642 38.375 -21.318 1.00 9.87 H new ATOM 0 HA MET A 51 3.850 39.308 -21.235 1.00 9.64 H new ATOM 0 HB2 MET A 51 3.229 38.008 -23.167 1.00 9.70 H new ATOM 0 HB3 MET A 51 4.457 39.165 -23.641 1.00 9.70 H new ATOM 0 HG2 MET A 51 6.180 37.398 -23.434 1.00 9.43 H new ATOM 0 HG3 MET A 51 4.931 36.246 -23.005 1.00 9.43 H new ATOM 0 HE1 MET A 51 3.617 34.979 -26.220 1.00 9.04 H new ATOM 0 HE2 MET A 51 4.432 34.540 -24.700 1.00 9.04 H new ATOM 0 HE3 MET A 51 2.952 35.528 -24.663 1.00 9.04 H new ATOM 771 N PRO A 52 3.282 36.960 -20.253 1.00 8.77 N ATOM 772 CA PRO A 52 3.051 35.661 -19.643 1.00 8.04 C ATOM 773 C PRO A 52 3.089 34.567 -20.707 1.00 7.35 C ATOM 774 O PRO A 52 2.522 34.726 -21.791 1.00 7.56 O ATOM 775 CB PRO A 52 1.656 35.785 -19.029 1.00 8.35 C ATOM 776 CG PRO A 52 0.995 36.883 -19.790 1.00 9.16 C ATOM 777 CD PRO A 52 2.093 37.826 -20.196 1.00 9.51 C ATOM 0 HA PRO A 52 3.805 35.394 -18.903 1.00 8.04 H new ATOM 0 HB2 PRO A 52 1.100 34.852 -19.120 1.00 8.35 H new ATOM 0 HB3 PRO A 52 1.712 36.020 -17.966 1.00 8.35 H new ATOM 0 HG2 PRO A 52 0.473 36.493 -20.664 1.00 9.16 H new ATOM 0 HG3 PRO A 52 0.252 37.391 -19.175 1.00 9.16 H new ATOM 0 HD2 PRO A 52 1.888 38.291 -21.160 1.00 9.51 H new ATOM 0 HD3 PRO A 52 2.218 38.633 -19.474 1.00 9.51 H new ATOM 785 N LEU A 53 3.764 33.468 -20.396 1.00 6.71 N ATOM 786 CA LEU A 53 4.019 32.407 -21.366 1.00 6.20 C ATOM 787 C LEU A 53 2.732 31.745 -21.843 1.00 5.97 C ATOM 788 O LEU A 53 1.666 31.916 -21.248 1.00 6.05 O ATOM 789 CB LEU A 53 4.958 31.366 -20.753 1.00 5.79 C ATOM 790 CG LEU A 53 6.325 31.909 -20.353 1.00 6.23 C ATOM 791 CD1 LEU A 53 7.027 30.959 -19.402 1.00 6.10 C ATOM 792 CD2 LEU A 53 7.168 32.135 -21.590 1.00 6.57 C ATOM 0 H LEU A 53 4.149 33.286 -19.469 1.00 6.71 H new ATOM 0 HA LEU A 53 4.490 32.858 -22.239 1.00 6.20 H new ATOM 0 HB2 LEU A 53 4.479 30.936 -19.873 1.00 5.79 H new ATOM 0 HB3 LEU A 53 5.098 30.555 -21.468 1.00 5.79 H new ATOM 0 HG LEU A 53 6.185 32.859 -19.837 1.00 6.23 H new ATOM 0 HD11 LEU A 53 8.000 31.368 -19.131 1.00 6.10 H new ATOM 0 HD12 LEU A 53 6.424 30.832 -18.503 1.00 6.10 H new ATOM 0 HD13 LEU A 53 7.162 29.992 -19.887 1.00 6.10 H new ATOM 0 HD21 LEU A 53 8.144 32.523 -21.299 1.00 6.57 H new ATOM 0 HD22 LEU A 53 7.296 31.191 -22.120 1.00 6.57 H new ATOM 0 HD23 LEU A 53 6.672 32.853 -22.242 1.00 6.57 H new ATOM 804 N ILE A 54 2.847 30.968 -22.908 1.00 5.92 N ATOM 805 CA ILE A 54 1.701 30.330 -23.524 1.00 5.98 C ATOM 806 C ILE A 54 1.648 28.876 -23.115 1.00 5.33 C ATOM 807 O ILE A 54 2.654 28.168 -23.186 1.00 5.16 O ATOM 808 CB ILE A 54 1.764 30.423 -25.064 1.00 6.77 C ATOM 809 CG1 ILE A 54 1.671 31.884 -25.514 1.00 7.56 C ATOM 810 CG2 ILE A 54 0.662 29.595 -25.714 1.00 7.04 C ATOM 811 CD1 ILE A 54 0.400 32.577 -25.078 1.00 7.89 C ATOM 0 H ILE A 54 3.735 30.764 -23.366 1.00 5.92 H new ATOM 0 HA ILE A 54 0.805 30.849 -23.185 1.00 5.98 H new ATOM 0 HB ILE A 54 2.722 30.016 -25.386 1.00 6.77 H new ATOM 0 HG12 ILE A 54 2.526 32.431 -25.118 1.00 7.56 H new ATOM 0 HG13 ILE A 54 1.742 31.925 -26.601 1.00 7.56 H new ATOM 0 HG21 ILE A 54 0.733 29.681 -26.798 1.00 7.04 H new ATOM 0 HG22 ILE A 54 0.774 28.550 -25.425 1.00 7.04 H new ATOM 0 HG23 ILE A 54 -0.310 29.961 -25.384 1.00 7.04 H new ATOM 0 HD11 ILE A 54 0.407 33.607 -25.434 1.00 7.89 H new ATOM 0 HD12 ILE A 54 -0.461 32.055 -25.496 1.00 7.89 H new ATOM 0 HD13 ILE A 54 0.336 32.569 -23.990 1.00 7.89 H new ATOM 823 N PRO A 55 0.492 28.406 -22.659 1.00 5.13 N ATOM 824 CA PRO A 55 0.351 27.037 -22.251 1.00 4.65 C ATOM 825 C PRO A 55 0.087 26.109 -23.430 1.00 5.10 C ATOM 826 O PRO A 55 -0.732 26.396 -24.309 1.00 5.77 O ATOM 827 CB PRO A 55 -0.811 27.067 -21.264 1.00 4.51 C ATOM 828 CG PRO A 55 -1.533 28.363 -21.479 1.00 5.22 C ATOM 829 CD PRO A 55 -0.756 29.164 -22.494 1.00 5.58 C ATOM 0 HA PRO A 55 1.262 26.640 -21.804 1.00 4.65 H new ATOM 0 HB2 PRO A 55 -1.479 26.221 -21.428 1.00 4.51 H new ATOM 0 HB3 PRO A 55 -0.449 26.993 -20.239 1.00 4.51 H new ATOM 0 HG2 PRO A 55 -2.548 28.180 -21.833 1.00 5.22 H new ATOM 0 HG3 PRO A 55 -1.617 28.913 -20.542 1.00 5.22 H new ATOM 0 HD2 PRO A 55 -1.299 29.251 -23.435 1.00 5.58 H new ATOM 0 HD3 PRO A 55 -0.565 30.178 -22.142 1.00 5.58 H new ATOM 837 N VAL A 56 0.815 25.005 -23.426 1.00 5.00 N ATOM 838 CA VAL A 56 0.785 24.005 -24.486 1.00 5.69 C ATOM 839 C VAL A 56 -0.617 23.458 -24.755 1.00 5.96 C ATOM 840 O VAL A 56 -1.484 23.460 -23.886 1.00 5.52 O ATOM 841 CB VAL A 56 1.713 22.840 -24.121 1.00 5.77 C ATOM 842 CG1 VAL A 56 3.156 23.306 -23.991 1.00 5.82 C ATOM 843 CG2 VAL A 56 1.224 22.215 -22.843 1.00 5.28 C ATOM 0 H VAL A 56 1.458 24.772 -22.670 1.00 5.00 H new ATOM 0 HA VAL A 56 1.121 24.502 -25.396 1.00 5.69 H new ATOM 0 HB VAL A 56 1.693 22.096 -24.918 1.00 5.77 H new ATOM 0 HG11 VAL A 56 3.790 22.458 -23.732 1.00 5.82 H new ATOM 0 HG12 VAL A 56 3.488 23.731 -24.938 1.00 5.82 H new ATOM 0 HG13 VAL A 56 3.225 24.063 -23.210 1.00 5.82 H new ATOM 0 HG21 VAL A 56 1.876 21.384 -22.572 1.00 5.28 H new ATOM 0 HG22 VAL A 56 1.234 22.959 -22.047 1.00 5.28 H new ATOM 0 HG23 VAL A 56 0.207 21.848 -22.983 1.00 5.28 H new ATOM 853 N TYR A 57 -0.751 22.945 -25.968 1.00 6.83 N ATOM 854 CA TYR A 57 -1.979 22.386 -26.563 1.00 7.44 C ATOM 855 C TYR A 57 -3.270 22.720 -25.819 1.00 7.10 C ATOM 856 O TYR A 57 -3.909 23.728 -26.131 1.00 7.48 O ATOM 857 CB TYR A 57 -1.821 20.871 -26.710 1.00 7.84 C ATOM 858 CG TYR A 57 -0.682 20.308 -25.887 1.00 7.40 C ATOM 859 CD1 TYR A 57 -0.882 19.886 -24.583 1.00 6.79 C ATOM 860 CD2 TYR A 57 0.597 20.209 -26.416 1.00 7.77 C ATOM 861 CE1 TYR A 57 0.151 19.373 -23.833 1.00 6.66 C ATOM 862 CE2 TYR A 57 1.639 19.699 -25.672 1.00 7.62 C ATOM 863 CZ TYR A 57 1.413 19.276 -24.382 1.00 7.11 C ATOM 864 OH TYR A 57 2.451 18.766 -23.636 1.00 7.23 O ATOM 0 H TYR A 57 0.038 22.900 -26.613 1.00 6.83 H new ATOM 0 HA TYR A 57 -2.090 22.866 -27.535 1.00 7.44 H new ATOM 0 HB2 TYR A 57 -2.750 20.385 -26.413 1.00 7.84 H new ATOM 0 HB3 TYR A 57 -1.656 20.629 -27.760 1.00 7.84 H new ATOM 0 HD1 TYR A 57 -1.867 19.961 -24.147 1.00 6.79 H new ATOM 0 HD2 TYR A 57 0.779 20.537 -27.429 1.00 7.77 H new ATOM 0 HE1 TYR A 57 -0.025 19.047 -22.818 1.00 6.66 H new ATOM 0 HE2 TYR A 57 2.629 19.632 -26.099 1.00 7.62 H new ATOM 0 HH TYR A 57 3.271 18.767 -24.173 1.00 7.23 H new ATOM 874 N GLU A 58 -3.660 21.871 -24.881 1.00 6.59 N ATOM 875 CA GLU A 58 -4.895 22.040 -24.117 1.00 6.41 C ATOM 876 C GLU A 58 -5.041 23.482 -23.637 1.00 6.15 C ATOM 877 O GLU A 58 -6.128 24.063 -23.730 1.00 6.62 O ATOM 878 CB GLU A 58 -4.839 21.079 -22.940 1.00 5.89 C ATOM 879 CG GLU A 58 -4.638 21.720 -21.591 1.00 5.18 C ATOM 880 CD GLU A 58 -4.937 20.743 -20.483 1.00 5.25 C ATOM 881 OE1 GLU A 58 -6.115 20.570 -20.141 1.00 5.61 O1- ATOM 882 OE2 GLU A 58 -3.988 20.158 -19.934 1.00 5.25 O ATOM 0 H GLU A 58 -3.128 21.039 -24.624 1.00 6.59 H new ATOM 0 HA GLU A 58 -5.762 21.823 -24.741 1.00 6.41 H new ATOM 0 HB2 GLU A 58 -5.766 20.506 -22.916 1.00 5.89 H new ATOM 0 HB3 GLU A 58 -4.029 20.369 -23.110 1.00 5.89 H new ATOM 0 HG2 GLU A 58 -3.611 22.075 -21.502 1.00 5.18 H new ATOM 0 HG3 GLU A 58 -5.286 22.592 -21.498 1.00 5.18 H new ATOM 889 N GLU A 59 -3.946 24.051 -23.177 1.00 5.59 N ATOM 890 CA GLU A 59 -3.901 25.440 -22.761 1.00 5.52 C ATOM 891 C GLU A 59 -4.696 25.674 -21.474 1.00 5.43 C ATOM 892 O GLU A 59 -5.891 26.009 -21.511 1.00 6.06 O ATOM 893 CB GLU A 59 -4.404 26.353 -23.884 1.00 6.40 C ATOM 894 CG GLU A 59 -4.250 27.831 -23.589 1.00 6.94 C ATOM 895 CD GLU A 59 -4.932 28.696 -24.621 1.00 7.89 C ATOM 896 OE1 GLU A 59 -4.284 29.044 -25.630 1.00 8.12 O ATOM 897 OE2 GLU A 59 -6.120 29.024 -24.429 1.00 8.58 O1- ATOM 0 H GLU A 59 -3.057 23.561 -23.080 1.00 5.59 H new ATOM 0 HA GLU A 59 -2.861 25.687 -22.549 1.00 5.52 H new ATOM 0 HB2 GLU A 59 -3.863 26.117 -24.800 1.00 6.40 H new ATOM 0 HB3 GLU A 59 -5.456 26.137 -24.070 1.00 6.40 H new ATOM 0 HG2 GLU A 59 -4.665 28.048 -22.605 1.00 6.94 H new ATOM 0 HG3 GLU A 59 -3.190 28.083 -23.550 1.00 6.94 H new ATOM 1187 N ARG A 80 3.069 3.256 -5.210 1.00 8.26 N ATOM 1188 CA ARG A 80 3.665 2.093 -4.576 1.00 8.04 C ATOM 1189 C ARG A 80 4.716 2.524 -3.559 1.00 7.16 C ATOM 1190 O ARG A 80 5.488 3.455 -3.800 1.00 6.61 O ATOM 1191 CB ARG A 80 4.305 1.203 -5.638 1.00 8.39 C ATOM 1192 CG ARG A 80 4.716 -0.159 -5.106 1.00 8.96 C ATOM 1193 CD ARG A 80 5.449 -0.976 -6.151 1.00 9.63 C ATOM 1194 NE ARG A 80 5.698 -2.338 -5.687 1.00 10.25 N ATOM 1195 CZ ARG A 80 6.847 -2.989 -5.841 1.00 10.94 C ATOM 1196 NH1 ARG A 80 7.868 -2.417 -6.469 1.00 11.11 N1+ ATOM 1197 NH2 ARG A 80 6.970 -4.220 -5.373 1.00 11.64 N ATOM 0 HA ARG A 80 2.886 1.535 -4.057 1.00 8.04 H new ATOM 0 HB2 ARG A 80 3.603 1.068 -6.461 1.00 8.39 H new ATOM 0 HB3 ARG A 80 5.182 1.707 -6.045 1.00 8.39 H new ATOM 0 HG2 ARG A 80 5.355 -0.030 -4.232 1.00 8.96 H new ATOM 0 HG3 ARG A 80 3.831 -0.702 -4.776 1.00 8.96 H new ATOM 0 HD2 ARG A 80 4.862 -1.005 -7.069 1.00 9.63 H new ATOM 0 HD3 ARG A 80 6.396 -0.494 -6.393 1.00 9.63 H new ATOM 0 HE ARG A 80 4.937 -2.824 -5.212 1.00 10.25 H new ATOM 0 HH11 ARG A 80 7.774 -1.471 -6.838 1.00 11.11 H new ATOM 0 HH12 ARG A 80 8.746 -2.924 -6.582 1.00 11.11 H new ATOM 0 HH21 ARG A 80 6.186 -4.665 -4.897 1.00 11.64 H new ATOM 0 HH22 ARG A 80 7.849 -4.724 -5.488 1.00 11.64 H new ATOM 1211 N THR A 81 4.728 1.841 -2.427 1.00 7.24 N ATOM 1212 CA THR A 81 5.628 2.153 -1.335 1.00 6.59 C ATOM 1213 C THR A 81 6.422 0.919 -0.950 1.00 6.82 C ATOM 1214 O THR A 81 5.867 -0.176 -0.846 1.00 7.73 O ATOM 1215 CB THR A 81 4.857 2.651 -0.093 1.00 6.98 C ATOM 1216 OG1 THR A 81 3.791 1.746 0.231 1.00 8.00 O ATOM 1217 CG2 THR A 81 4.286 4.038 -0.318 1.00 7.05 C ATOM 0 H THR A 81 4.110 1.051 -2.241 1.00 7.24 H new ATOM 0 HA THR A 81 6.296 2.944 -1.676 1.00 6.59 H new ATOM 0 HB THR A 81 5.564 2.695 0.736 1.00 6.98 H new ATOM 0 HG1 THR A 81 4.060 0.830 0.009 1.00 8.00 H new ATOM 0 HG21 THR A 81 3.749 4.360 0.575 1.00 7.05 H new ATOM 0 HG22 THR A 81 5.097 4.736 -0.525 1.00 7.05 H new ATOM 0 HG23 THR A 81 3.601 4.016 -1.165 1.00 7.05 H new ATOM 1225 N ALA A 82 7.702 1.108 -0.710 1.00 6.18 N ATOM 1226 CA ALA A 82 8.567 0.020 -0.319 1.00 6.65 C ATOM 1227 C ALA A 82 8.975 0.202 1.126 1.00 6.65 C ATOM 1228 O ALA A 82 9.424 1.280 1.518 1.00 5.88 O ATOM 1229 CB ALA A 82 9.793 -0.053 -1.222 1.00 6.36 C ATOM 0 H ALA A 82 8.168 2.013 -0.780 1.00 6.18 H new ATOM 0 HA ALA A 82 8.026 -0.921 -0.424 1.00 6.65 H new ATOM 0 HB1 ALA A 82 10.428 -0.881 -0.907 1.00 6.36 H new ATOM 0 HB2 ALA A 82 9.477 -0.211 -2.253 1.00 6.36 H new ATOM 0 HB3 ALA A 82 10.352 0.880 -1.153 1.00 6.36 H new ATOM 1235 N GLU A 83 8.784 -0.829 1.920 1.00 7.70 N ATOM 1236 CA GLU A 83 9.158 -0.786 3.312 1.00 8.10 C ATOM 1237 C GLU A 83 10.667 -0.887 3.423 1.00 7.90 C ATOM 1238 O GLU A 83 11.286 -1.718 2.759 1.00 8.21 O ATOM 1239 CB GLU A 83 8.477 -1.920 4.077 1.00 9.47 C ATOM 1240 CG GLU A 83 8.687 -1.866 5.579 1.00 10.14 C ATOM 1241 CD GLU A 83 8.080 -3.059 6.286 1.00 11.52 C ATOM 1242 OE1 GLU A 83 6.862 -3.036 6.559 1.00 12.06 O1- ATOM 1243 OE2 GLU A 83 8.821 -4.015 6.587 1.00 12.15 O ATOM 0 H GLU A 83 8.369 -1.711 1.620 1.00 7.70 H new ATOM 0 HA GLU A 83 8.832 0.156 3.752 1.00 8.10 H new ATOM 0 HB2 GLU A 83 7.407 -1.893 3.869 1.00 9.47 H new ATOM 0 HB3 GLU A 83 8.851 -2.873 3.702 1.00 9.47 H new ATOM 0 HG2 GLU A 83 9.755 -1.824 5.793 1.00 10.14 H new ATOM 0 HG3 GLU A 83 8.247 -0.950 5.973 1.00 10.14 H new ATOM 1250 N VAL A 84 11.247 -0.016 4.223 1.00 7.58 N ATOM 1251 CA VAL A 84 12.688 0.026 4.410 1.00 7.50 C ATOM 1252 C VAL A 84 13.251 -1.313 4.846 1.00 8.74 C ATOM 1253 O VAL A 84 12.720 -1.963 5.746 1.00 9.71 O ATOM 1254 CB VAL A 84 13.078 1.113 5.426 1.00 7.28 C ATOM 1255 CG1 VAL A 84 14.532 0.978 5.835 1.00 7.49 C ATOM 1256 CG2 VAL A 84 12.806 2.491 4.846 1.00 6.28 C ATOM 0 H VAL A 84 10.736 0.683 4.762 1.00 7.58 H new ATOM 0 HA VAL A 84 13.122 0.269 3.440 1.00 7.50 H new ATOM 0 HB VAL A 84 12.469 0.984 6.321 1.00 7.28 H new ATOM 0 HG11 VAL A 84 14.782 1.758 6.554 1.00 7.49 H new ATOM 0 HG12 VAL A 84 14.693 0.001 6.290 1.00 7.49 H new ATOM 0 HG13 VAL A 84 15.168 1.078 4.955 1.00 7.49 H new ATOM 0 HG21 VAL A 84 13.085 3.253 5.573 1.00 6.28 H new ATOM 0 HG22 VAL A 84 13.392 2.625 3.936 1.00 6.28 H new ATOM 0 HG23 VAL A 84 11.746 2.584 4.612 1.00 6.28 H new ATOM 1266 N LYS A 85 14.327 -1.715 4.175 1.00 8.82 N ATOM 1267 CA LYS A 85 15.005 -2.969 4.458 1.00 10.03 C ATOM 1268 C LYS A 85 16.501 -2.750 4.410 1.00 10.02 C ATOM 1269 O LYS A 85 16.981 -1.908 3.658 1.00 9.25 O ATOM 1270 CB LYS A 85 14.658 -4.031 3.413 1.00 10.75 C ATOM 1271 CG LYS A 85 13.175 -4.192 3.164 1.00 10.58 C ATOM 1272 CD LYS A 85 12.459 -4.697 4.398 1.00 11.03 C ATOM 1273 CE LYS A 85 10.980 -4.397 4.324 1.00 10.50 C ATOM 1274 NZ LYS A 85 10.308 -5.148 3.231 1.00 11.02 N1+ ATOM 0 H LYS A 85 14.751 -1.177 3.419 1.00 8.82 H new ATOM 0 HA LYS A 85 14.685 -3.308 5.443 1.00 10.03 H new ATOM 0 HB2 LYS A 85 15.147 -3.774 2.473 1.00 10.75 H new ATOM 0 HB3 LYS A 85 15.068 -4.989 3.734 1.00 10.75 H new ATOM 0 HG2 LYS A 85 12.750 -3.235 2.861 1.00 10.58 H new ATOM 0 HG3 LYS A 85 13.016 -4.887 2.340 1.00 10.58 H new ATOM 0 HD2 LYS A 85 12.612 -5.772 4.498 1.00 11.03 H new ATOM 0 HD3 LYS A 85 12.885 -4.231 5.287 1.00 11.03 H new ATOM 0 HE2 LYS A 85 10.512 -4.648 5.276 1.00 10.50 H new ATOM 0 HE3 LYS A 85 10.835 -3.328 4.170 1.00 10.50 H new ATOM 0 HZ1 LYS A 85 9.287 -4.950 3.250 1.00 11.02 H new ATOM 0 HZ2 LYS A 85 10.701 -4.853 2.314 1.00 11.02 H new ATOM 0 HZ3 LYS A 85 10.465 -6.168 3.363 1.00 11.02 H new ATOM 1288 N LEU A 86 17.232 -3.492 5.208 1.00 10.96 N ATOM 1289 CA LEU A 86 18.674 -3.555 5.042 1.00 11.21 C ATOM 1290 C LEU A 86 18.994 -4.456 3.857 1.00 11.85 C ATOM 1291 O LEU A 86 18.243 -5.389 3.560 1.00 12.43 O ATOM 1292 CB LEU A 86 19.388 -4.060 6.303 1.00 12.08 C ATOM 1293 CG LEU A 86 19.501 -3.054 7.452 1.00 11.90 C ATOM 1294 CD1 LEU A 86 18.160 -2.844 8.134 1.00 11.97 C ATOM 1295 CD2 LEU A 86 20.546 -3.514 8.454 1.00 12.76 C ATOM 0 H LEU A 86 16.862 -4.057 5.972 1.00 10.96 H new ATOM 0 HA LEU A 86 19.039 -2.544 4.860 1.00 11.21 H new ATOM 0 HB2 LEU A 86 18.861 -4.942 6.668 1.00 12.08 H new ATOM 0 HB3 LEU A 86 20.392 -4.381 6.026 1.00 12.08 H new ATOM 0 HG LEU A 86 19.814 -2.097 7.035 1.00 11.90 H new ATOM 0 HD11 LEU A 86 18.273 -2.125 8.945 1.00 11.97 H new ATOM 0 HD12 LEU A 86 17.439 -2.464 7.410 1.00 11.97 H new ATOM 0 HD13 LEU A 86 17.804 -3.792 8.537 1.00 11.97 H new ATOM 0 HD21 LEU A 86 20.616 -2.789 9.265 1.00 12.76 H new ATOM 0 HD22 LEU A 86 20.260 -4.485 8.858 1.00 12.76 H new ATOM 0 HD23 LEU A 86 21.513 -3.598 7.958 1.00 12.76 H new ATOM 1307 N GLY A 87 20.096 -4.181 3.182 1.00 11.89 N ATOM 1308 CA GLY A 87 20.442 -4.955 2.004 1.00 12.65 C ATOM 1309 C GLY A 87 21.858 -4.711 1.548 1.00 12.97 C ATOM 1310 O GLY A 87 22.125 -4.606 0.351 1.00 13.25 O ATOM 0 H GLY A 87 20.756 -3.442 3.423 1.00 11.89 H new ATOM 0 HA2 GLY A 87 20.311 -6.016 2.219 1.00 12.65 H new ATOM 0 HA3 GLY A 87 19.755 -4.706 1.195 1.00 12.65 H new ATOM 1389 N GLU A 93 26.020 -1.650 6.512 1.00 12.87 N ATOM 1390 CA GLU A 93 24.589 -1.797 6.742 1.00 12.37 C ATOM 1391 C GLU A 93 23.857 -0.490 6.550 1.00 11.13 C ATOM 1392 O GLU A 93 24.026 0.465 7.308 1.00 10.78 O ATOM 1393 CB GLU A 93 24.294 -2.372 8.126 1.00 13.03 C ATOM 1394 CG GLU A 93 24.242 -3.888 8.150 1.00 13.80 C ATOM 1395 CD GLU A 93 24.304 -4.451 9.555 1.00 14.57 C ATOM 1396 OE1 GLU A 93 25.410 -4.505 10.137 1.00 14.94 O ATOM 1397 OE2 GLU A 93 23.250 -4.855 10.084 1.00 14.92 O1- ATOM 0 HA GLU A 93 24.224 -2.504 5.997 1.00 12.37 H new ATOM 0 HB2 GLU A 93 25.059 -2.031 8.824 1.00 13.03 H new ATOM 0 HB3 GLU A 93 23.341 -1.978 8.480 1.00 13.03 H new ATOM 0 HG2 GLU A 93 23.324 -4.224 7.668 1.00 13.80 H new ATOM 0 HG3 GLU A 93 25.072 -4.286 7.566 1.00 13.80 H new ATOM 1404 N ARG A 94 23.044 -0.472 5.519 1.00 10.57 N ATOM 1405 CA ARG A 94 22.267 0.689 5.175 1.00 9.39 C ATOM 1406 C ARG A 94 20.833 0.280 4.922 1.00 8.96 C ATOM 1407 O ARG A 94 20.520 -0.910 4.841 1.00 9.64 O ATOM 1408 CB ARG A 94 22.829 1.356 3.923 1.00 9.13 C ATOM 1409 CG ARG A 94 23.269 2.786 4.158 1.00 9.07 C ATOM 1410 CD ARG A 94 24.678 2.863 4.719 1.00 9.14 C ATOM 1411 NE ARG A 94 25.678 2.475 3.725 1.00 9.49 N ATOM 1412 CZ ARG A 94 26.988 2.563 3.923 1.00 9.84 C ATOM 1413 NH1 ARG A 94 27.456 3.018 5.078 1.00 9.96 N1+ ATOM 1414 NH2 ARG A 94 27.831 2.200 2.965 1.00 10.27 N ATOM 0 H ARG A 94 22.905 -1.267 4.895 1.00 10.57 H new ATOM 0 HA ARG A 94 22.311 1.397 6.003 1.00 9.39 H new ATOM 0 HB2 ARG A 94 23.677 0.776 3.560 1.00 9.13 H new ATOM 0 HB3 ARG A 94 22.072 1.339 3.139 1.00 9.13 H new ATOM 0 HG2 ARG A 94 23.222 3.339 3.220 1.00 9.07 H new ATOM 0 HG3 ARG A 94 22.577 3.269 4.848 1.00 9.07 H new ATOM 0 HD2 ARG A 94 24.879 3.879 5.060 1.00 9.14 H new ATOM 0 HD3 ARG A 94 24.759 2.212 5.590 1.00 9.14 H new ATOM 0 HE ARG A 94 25.350 2.116 2.828 1.00 9.49 H new ATOM 0 HH11 ARG A 94 26.809 3.300 5.815 1.00 9.96 H new ATOM 0 HH12 ARG A 94 28.462 3.085 5.229 1.00 9.96 H new ATOM 0 HH21 ARG A 94 27.473 1.853 2.075 1.00 10.27 H new ATOM 0 HH22 ARG A 94 28.837 2.268 3.118 1.00 10.27 H new ATOM 1428 N LEU A 95 19.973 1.268 4.807 1.00 7.97 N ATOM 1429 CA LEU A 95 18.586 1.032 4.480 1.00 7.54 C ATOM 1430 C LEU A 95 18.414 1.165 2.972 1.00 6.99 C ATOM 1431 O LEU A 95 18.565 2.249 2.410 1.00 6.27 O ATOM 1432 CB LEU A 95 17.703 2.053 5.209 1.00 6.93 C ATOM 1433 CG LEU A 95 17.738 2.021 6.749 1.00 7.79 C ATOM 1434 CD1 LEU A 95 17.693 0.593 7.271 1.00 8.88 C ATOM 1435 CD2 LEU A 95 18.956 2.755 7.290 1.00 7.89 C ATOM 0 H LEU A 95 20.214 2.251 4.937 1.00 7.97 H new ATOM 0 HA LEU A 95 18.289 0.032 4.795 1.00 7.54 H new ATOM 0 HB2 LEU A 95 17.995 3.051 4.882 1.00 6.93 H new ATOM 0 HB3 LEU A 95 16.672 1.902 4.889 1.00 6.93 H new ATOM 0 HG LEU A 95 16.848 2.539 7.107 1.00 7.79 H new ATOM 0 HD11 LEU A 95 17.719 0.603 8.361 1.00 8.88 H new ATOM 0 HD12 LEU A 95 16.775 0.111 6.934 1.00 8.88 H new ATOM 0 HD13 LEU A 95 18.553 0.040 6.893 1.00 8.88 H new ATOM 0 HD21 LEU A 95 18.951 2.714 8.379 1.00 7.89 H new ATOM 0 HD22 LEU A 95 19.863 2.282 6.913 1.00 7.89 H new ATOM 0 HD23 LEU A 95 18.928 3.795 6.966 1.00 7.89 H new ATOM 1447 N LEU A 96 18.111 0.046 2.331 1.00 7.59 N ATOM 1448 CA LEU A 96 18.018 -0.012 0.882 1.00 7.52 C ATOM 1449 C LEU A 96 16.620 0.333 0.423 1.00 6.76 C ATOM 1450 O LEU A 96 15.633 -0.214 0.922 1.00 6.96 O ATOM 1451 CB LEU A 96 18.411 -1.398 0.349 1.00 8.83 C ATOM 1452 CG LEU A 96 19.904 -1.622 0.074 1.00 9.65 C ATOM 1453 CD1 LEU A 96 20.401 -0.679 -1.013 1.00 9.37 C ATOM 1454 CD2 LEU A 96 20.725 -1.464 1.346 1.00 9.78 C ATOM 0 H LEU A 96 17.924 -0.841 2.798 1.00 7.59 H new ATOM 0 HA LEU A 96 18.718 0.721 0.481 1.00 7.52 H new ATOM 0 HB2 LEU A 96 18.079 -2.148 1.067 1.00 8.83 H new ATOM 0 HB3 LEU A 96 17.862 -1.577 -0.575 1.00 8.83 H new ATOM 0 HG LEU A 96 20.030 -2.645 -0.280 1.00 9.65 H new ATOM 0 HD11 LEU A 96 21.462 -0.856 -1.191 1.00 9.37 H new ATOM 0 HD12 LEU A 96 19.844 -0.858 -1.933 1.00 9.37 H new ATOM 0 HD13 LEU A 96 20.254 0.353 -0.695 1.00 9.37 H new ATOM 0 HD21 LEU A 96 21.779 -1.628 1.122 1.00 9.78 H new ATOM 0 HD22 LEU A 96 20.591 -0.458 1.743 1.00 9.78 H new ATOM 0 HD23 LEU A 96 20.394 -2.193 2.086 1.00 9.78 H new ATOM 1466 N VAL A 97 16.555 1.216 -0.551 1.00 6.13 N ATOM 1467 CA VAL A 97 15.298 1.715 -1.071 1.00 5.45 C ATOM 1468 C VAL A 97 15.458 2.019 -2.547 1.00 5.86 C ATOM 1469 O VAL A 97 16.540 2.381 -2.992 1.00 6.40 O ATOM 1470 CB VAL A 97 14.881 2.995 -0.322 1.00 4.23 C ATOM 1471 CG1 VAL A 97 15.994 4.020 -0.381 1.00 4.19 C ATOM 1472 CG2 VAL A 97 13.598 3.587 -0.850 1.00 4.01 C ATOM 0 H VAL A 97 17.377 1.611 -1.007 1.00 6.13 H new ATOM 0 HA VAL A 97 14.525 0.959 -0.929 1.00 5.45 H new ATOM 0 HB VAL A 97 14.697 2.713 0.715 1.00 4.23 H new ATOM 0 HG11 VAL A 97 15.688 4.920 0.152 1.00 4.19 H new ATOM 0 HG12 VAL A 97 16.891 3.610 0.084 1.00 4.19 H new ATOM 0 HG13 VAL A 97 16.206 4.268 -1.421 1.00 4.19 H new ATOM 0 HG21 VAL A 97 13.353 4.486 -0.285 1.00 4.01 H new ATOM 0 HG22 VAL A 97 13.721 3.842 -1.903 1.00 4.01 H new ATOM 0 HG23 VAL A 97 12.792 2.861 -0.744 1.00 4.01 H new ATOM 1482 N PRO A 98 14.398 1.833 -3.328 1.00 5.92 N ATOM 1483 CA PRO A 98 14.387 2.217 -4.738 1.00 6.55 C ATOM 1484 C PRO A 98 14.775 3.687 -4.902 1.00 6.22 C ATOM 1485 O PRO A 98 14.234 4.545 -4.210 1.00 5.29 O ATOM 1486 CB PRO A 98 12.932 1.946 -5.148 1.00 6.53 C ATOM 1487 CG PRO A 98 12.491 0.872 -4.215 1.00 6.39 C ATOM 1488 CD PRO A 98 13.129 1.230 -2.905 1.00 5.71 C ATOM 0 HA PRO A 98 15.103 1.672 -5.354 1.00 6.55 H new ATOM 0 HB2 PRO A 98 12.316 2.840 -5.048 1.00 6.53 H new ATOM 0 HB3 PRO A 98 12.863 1.625 -6.187 1.00 6.53 H new ATOM 0 HG2 PRO A 98 11.405 0.839 -4.132 1.00 6.39 H new ATOM 0 HG3 PRO A 98 12.814 -0.111 -4.559 1.00 6.39 H new ATOM 0 HD2 PRO A 98 12.518 1.928 -2.333 1.00 5.71 H new ATOM 0 HD3 PRO A 98 13.285 0.354 -2.276 1.00 5.71 H new ATOM 1496 N SER A 99 15.721 3.972 -5.792 1.00 7.21 N ATOM 1497 CA SER A 99 16.313 5.308 -5.892 1.00 7.37 C ATOM 1498 C SER A 99 15.272 6.409 -6.126 1.00 7.21 C ATOM 1499 O SER A 99 15.483 7.551 -5.714 1.00 7.21 O ATOM 1500 CB SER A 99 17.368 5.346 -7.002 1.00 8.73 C ATOM 1501 OG SER A 99 17.979 6.627 -7.094 1.00 9.29 O ATOM 0 H SER A 99 16.097 3.296 -6.457 1.00 7.21 H new ATOM 0 HA SER A 99 16.782 5.509 -4.929 1.00 7.37 H new ATOM 0 HB2 SER A 99 18.130 4.591 -6.808 1.00 8.73 H new ATOM 0 HB3 SER A 99 16.904 5.093 -7.955 1.00 8.73 H new ATOM 0 HG SER A 99 18.648 6.620 -7.810 1.00 9.29 H new ATOM 1507 N GLU A 100 14.153 6.083 -6.755 1.00 7.31 N ATOM 1508 CA GLU A 100 13.129 7.091 -7.019 1.00 7.41 C ATOM 1509 C GLU A 100 12.201 7.278 -5.814 1.00 6.33 C ATOM 1510 O GLU A 100 11.194 7.982 -5.904 1.00 6.56 O ATOM 1511 CB GLU A 100 12.328 6.735 -8.273 1.00 8.22 C ATOM 1512 CG GLU A 100 13.194 6.616 -9.517 1.00 9.47 C ATOM 1513 CD GLU A 100 12.403 6.273 -10.763 1.00 10.34 C ATOM 1514 OE1 GLU A 100 11.708 7.165 -11.294 1.00 10.65 O1- ATOM 1515 OE2 GLU A 100 12.480 5.115 -11.223 1.00 10.86 O ATOM 0 H GLU A 100 13.930 5.145 -7.089 1.00 7.31 H new ATOM 0 HA GLU A 100 13.636 8.040 -7.194 1.00 7.41 H new ATOM 0 HB2 GLU A 100 11.806 5.792 -8.109 1.00 8.22 H new ATOM 0 HB3 GLU A 100 11.566 7.496 -8.439 1.00 8.22 H new ATOM 0 HG2 GLU A 100 13.721 7.557 -9.676 1.00 9.47 H new ATOM 0 HG3 GLU A 100 13.952 5.850 -9.353 1.00 9.47 H new ATOM 1522 N ALA A 101 12.544 6.682 -4.685 1.00 5.34 N ATOM 1523 CA ALA A 101 11.743 6.846 -3.478 1.00 4.45 C ATOM 1524 C ALA A 101 12.094 8.135 -2.747 1.00 4.45 C ATOM 1525 O ALA A 101 11.231 8.790 -2.159 1.00 4.62 O ATOM 1526 CB ALA A 101 11.920 5.656 -2.545 1.00 3.75 C ATOM 0 H ALA A 101 13.364 6.085 -4.576 1.00 5.34 H new ATOM 0 HA ALA A 101 10.699 6.902 -3.787 1.00 4.45 H new ATOM 0 HB1 ALA A 101 11.313 5.801 -1.651 1.00 3.75 H new ATOM 0 HB2 ALA A 101 11.605 4.745 -3.054 1.00 3.75 H new ATOM 0 HB3 ALA A 101 12.969 5.569 -2.261 1.00 3.75 H new ATOM 1532 N LEU A 102 13.360 8.513 -2.814 1.00 4.73 N ATOM 1533 CA LEU A 102 13.864 9.602 -2.000 1.00 5.07 C ATOM 1534 C LEU A 102 13.980 10.905 -2.783 1.00 6.33 C ATOM 1535 O LEU A 102 13.923 10.920 -4.015 1.00 6.97 O ATOM 1536 CB LEU A 102 15.202 9.214 -1.359 1.00 4.90 C ATOM 1537 CG LEU A 102 16.271 8.657 -2.309 1.00 5.36 C ATOM 1538 CD1 LEU A 102 16.938 9.768 -3.099 1.00 6.64 C ATOM 1539 CD2 LEU A 102 17.309 7.875 -1.527 1.00 4.98 C ATOM 0 H LEU A 102 14.055 8.081 -3.423 1.00 4.73 H new ATOM 0 HA LEU A 102 13.138 9.782 -1.207 1.00 5.07 H new ATOM 0 HB2 LEU A 102 15.611 10.093 -0.860 1.00 4.90 H new ATOM 0 HB3 LEU A 102 15.009 8.470 -0.586 1.00 4.90 H new ATOM 0 HG LEU A 102 15.779 7.990 -3.016 1.00 5.36 H new ATOM 0 HD11 LEU A 102 17.690 9.342 -3.763 1.00 6.64 H new ATOM 0 HD12 LEU A 102 16.189 10.294 -3.690 1.00 6.64 H new ATOM 0 HD13 LEU A 102 17.415 10.467 -2.412 1.00 6.64 H new ATOM 0 HD21 LEU A 102 18.062 7.485 -2.211 1.00 4.98 H new ATOM 0 HD22 LEU A 102 17.786 8.531 -0.798 1.00 4.98 H new ATOM 0 HD23 LEU A 102 16.826 7.047 -1.008 1.00 4.98 H new ATOM 1551 N ILE A 103 14.133 11.995 -2.052 1.00 6.87 N ATOM 1552 CA ILE A 103 14.299 13.310 -2.641 1.00 8.18 C ATOM 1553 C ILE A 103 15.750 13.748 -2.551 1.00 8.75 C ATOM 1554 O ILE A 103 16.291 13.887 -1.458 1.00 8.67 O ATOM 1555 CB ILE A 103 13.445 14.373 -1.923 1.00 8.80 C ATOM 1556 CG1 ILE A 103 11.975 13.932 -1.829 1.00 8.52 C ATOM 1557 CG2 ILE A 103 13.579 15.711 -2.633 1.00 10.20 C ATOM 1558 CD1 ILE A 103 11.381 13.456 -3.139 1.00 8.14 C ATOM 0 H ILE A 103 14.146 11.992 -1.032 1.00 6.87 H new ATOM 0 HA ILE A 103 13.979 13.230 -3.680 1.00 8.18 H new ATOM 0 HB ILE A 103 13.812 14.486 -0.903 1.00 8.80 H new ATOM 0 HG12 ILE A 103 11.895 13.130 -1.095 1.00 8.52 H new ATOM 0 HG13 ILE A 103 11.381 14.766 -1.456 1.00 8.52 H new ATOM 0 HG21 ILE A 103 12.973 16.457 -2.120 1.00 10.20 H new ATOM 0 HG22 ILE A 103 14.623 16.024 -2.625 1.00 10.20 H new ATOM 0 HG23 ILE A 103 13.237 15.612 -3.663 1.00 10.20 H new ATOM 0 HD11 ILE A 103 10.342 13.164 -2.983 1.00 8.14 H new ATOM 0 HD12 ILE A 103 11.425 14.261 -3.872 1.00 8.14 H new ATOM 0 HD13 ILE A 103 11.947 12.600 -3.505 1.00 8.14 H new ATOM 1570 N ARG A 104 16.375 13.969 -3.685 1.00 9.50 N ATOM 1571 CA ARG A 104 17.746 14.435 -3.700 1.00 10.25 C ATOM 1572 C ARG A 104 17.798 15.907 -4.036 1.00 11.48 C ATOM 1573 O ARG A 104 17.788 16.287 -5.206 1.00 12.12 O ATOM 1574 CB ARG A 104 18.561 13.648 -4.724 1.00 10.50 C ATOM 1575 CG ARG A 104 19.143 12.359 -4.175 1.00 9.82 C ATOM 1576 CD ARG A 104 20.134 12.636 -3.053 1.00 9.98 C ATOM 1577 NE ARG A 104 21.324 13.344 -3.526 1.00 10.43 N ATOM 1578 CZ ARG A 104 22.422 13.525 -2.792 1.00 10.83 C ATOM 1579 NH1 ARG A 104 22.500 13.022 -1.567 1.00 10.83 N1+ ATOM 1580 NH2 ARG A 104 23.448 14.202 -3.289 1.00 11.42 N ATOM 0 H ARG A 104 15.959 13.835 -4.607 1.00 9.50 H new ATOM 0 HA ARG A 104 18.171 14.281 -2.708 1.00 10.25 H new ATOM 0 HB2 ARG A 104 17.927 13.415 -5.579 1.00 10.50 H new ATOM 0 HB3 ARG A 104 19.373 14.276 -5.091 1.00 10.50 H new ATOM 0 HG2 ARG A 104 18.339 11.723 -3.805 1.00 9.82 H new ATOM 0 HG3 ARG A 104 19.640 11.811 -4.976 1.00 9.82 H new ATOM 0 HD2 ARG A 104 19.646 13.227 -2.278 1.00 9.98 H new ATOM 0 HD3 ARG A 104 20.433 11.694 -2.594 1.00 9.98 H new ATOM 0 HE ARG A 104 21.313 13.721 -4.474 1.00 10.43 H new ATOM 0 HH11 ARG A 104 21.717 12.493 -1.182 1.00 10.83 H new ATOM 0 HH12 ARG A 104 23.343 13.164 -1.010 1.00 10.83 H new ATOM 0 HH21 ARG A 104 23.397 14.585 -4.233 1.00 11.42 H new ATOM 0 HH22 ARG A 104 24.288 14.340 -2.727 1.00 11.42 H new ATOM 1594 N THR A 105 17.840 16.737 -3.012 1.00 11.91 N ATOM 1595 CA THR A 105 17.875 18.161 -3.235 1.00 13.15 C ATOM 1596 C THR A 105 18.714 18.872 -2.184 1.00 13.72 C ATOM 1597 O THR A 105 18.573 18.638 -0.978 1.00 13.20 O ATOM 1598 CB THR A 105 16.454 18.773 -3.297 1.00 13.31 C ATOM 1599 OG1 THR A 105 16.530 20.160 -3.649 1.00 14.61 O ATOM 1600 CG2 THR A 105 15.722 18.628 -1.970 1.00 12.61 C ATOM 0 H THR A 105 17.850 16.452 -2.033 1.00 11.91 H new ATOM 0 HA THR A 105 18.346 18.312 -4.206 1.00 13.15 H new ATOM 0 HB THR A 105 15.895 18.228 -4.057 1.00 13.31 H new ATOM 0 HG1 THR A 105 15.627 20.538 -3.687 1.00 14.61 H new ATOM 0 HG21 THR A 105 14.729 19.069 -2.052 1.00 12.61 H new ATOM 0 HG22 THR A 105 15.630 17.571 -1.719 1.00 12.61 H new ATOM 0 HG23 THR A 105 16.282 19.140 -1.188 1.00 12.61 H new ATOM 1608 N GLY A 106 19.605 19.728 -2.661 1.00 14.84 N ATOM 1609 CA GLY A 106 20.465 20.480 -1.780 1.00 15.52 C ATOM 1610 C GLY A 106 21.622 19.652 -1.277 1.00 14.91 C ATOM 1611 O GLY A 106 22.391 19.096 -2.068 1.00 14.86 O ATOM 0 H GLY A 106 19.746 19.914 -3.654 1.00 14.84 H new ATOM 0 HA2 GLY A 106 20.847 21.355 -2.306 1.00 15.52 H new ATOM 0 HA3 GLY A 106 19.885 20.846 -0.932 1.00 15.52 H new ATOM 1615 N ALA A 107 21.744 19.555 0.036 1.00 14.57 N ATOM 1616 CA ALA A 107 22.825 18.802 0.646 1.00 14.09 C ATOM 1617 C ALA A 107 22.288 17.672 1.508 1.00 12.88 C ATOM 1618 O ALA A 107 22.929 17.246 2.472 1.00 12.64 O ATOM 1619 CB ALA A 107 23.716 19.730 1.460 1.00 14.99 C ATOM 0 H ALA A 107 21.105 19.990 0.701 1.00 14.57 H new ATOM 0 HA ALA A 107 23.422 18.354 -0.148 1.00 14.09 H new ATOM 0 HB1 ALA A 107 24.523 19.154 1.913 1.00 14.99 H new ATOM 0 HB2 ALA A 107 24.137 20.495 0.807 1.00 14.99 H new ATOM 0 HB3 ALA A 107 23.126 20.206 2.243 1.00 14.99 H new ATOM 1625 N ARG A 108 21.112 17.176 1.152 1.00 12.19 N ATOM 1626 CA ARG A 108 20.456 16.153 1.950 1.00 11.09 C ATOM 1627 C ARG A 108 19.390 15.429 1.145 1.00 10.26 C ATOM 1628 O ARG A 108 19.141 15.761 -0.016 1.00 10.63 O ATOM 1629 CB ARG A 108 19.856 16.784 3.213 1.00 11.48 C ATOM 1630 CG ARG A 108 19.180 18.118 2.951 1.00 12.49 C ATOM 1631 CD ARG A 108 17.762 17.948 2.430 1.00 12.62 C ATOM 1632 NE ARG A 108 17.231 19.189 1.869 1.00 13.67 N ATOM 1633 CZ ARG A 108 16.059 19.732 2.206 1.00 14.22 C ATOM 1634 NH1 ARG A 108 15.317 19.201 3.174 1.00 13.92 N1+ ATOM 1635 NH2 ARG A 108 15.643 20.827 1.589 1.00 15.20 N ATOM 0 H ARG A 108 20.596 17.464 0.321 1.00 12.19 H new ATOM 0 HA ARG A 108 21.200 15.413 2.246 1.00 11.09 H new ATOM 0 HB2 ARG A 108 19.131 16.095 3.646 1.00 11.48 H new ATOM 0 HB3 ARG A 108 20.645 16.923 3.952 1.00 11.48 H new ATOM 0 HG2 ARG A 108 19.160 18.701 3.872 1.00 12.49 H new ATOM 0 HG3 ARG A 108 19.766 18.685 2.228 1.00 12.49 H new ATOM 0 HD2 ARG A 108 17.747 17.170 1.667 1.00 12.62 H new ATOM 0 HD3 ARG A 108 17.116 17.611 3.241 1.00 12.62 H new ATOM 0 HE ARG A 108 17.795 19.674 1.171 1.00 13.67 H new ATOM 0 HH11 ARG A 108 15.642 18.370 3.668 1.00 13.92 H new ATOM 0 HH12 ARG A 108 14.423 19.625 3.422 1.00 13.92 H new ATOM 0 HH21 ARG A 108 16.217 21.251 0.860 1.00 15.20 H new ATOM 0 HH22 ARG A 108 14.748 21.246 1.842 1.00 15.20 H new ATOM 1649 N THR A 109 18.757 14.456 1.770 1.00 9.26 N ATOM 1650 CA THR A 109 17.754 13.648 1.106 1.00 8.38 C ATOM 1651 C THR A 109 16.475 13.607 1.932 1.00 8.15 C ATOM 1652 O THR A 109 16.512 13.750 3.149 1.00 8.42 O ATOM 1653 CB THR A 109 18.279 12.221 0.870 1.00 7.38 C ATOM 1654 OG1 THR A 109 19.564 12.282 0.234 1.00 7.95 O ATOM 1655 CG2 THR A 109 17.317 11.423 0.007 1.00 6.64 C ATOM 0 H THR A 109 18.922 14.205 2.745 1.00 9.26 H new ATOM 0 HA THR A 109 17.533 14.101 0.139 1.00 8.38 H new ATOM 0 HB THR A 109 18.368 11.721 1.835 1.00 7.38 H new ATOM 0 HG1 THR A 109 20.253 12.471 0.905 1.00 7.95 H new ATOM 0 HG21 THR A 109 17.712 10.418 -0.145 1.00 6.64 H new ATOM 0 HG22 THR A 109 16.349 11.361 0.503 1.00 6.64 H new ATOM 0 HG23 THR A 109 17.199 11.916 -0.958 1.00 6.64 H new ATOM 1663 N ILE A 110 15.340 13.472 1.268 1.00 7.89 N ATOM 1664 CA ILE A 110 14.061 13.399 1.960 1.00 7.87 C ATOM 1665 C ILE A 110 13.299 12.147 1.530 1.00 6.75 C ATOM 1666 O ILE A 110 13.517 11.631 0.442 1.00 6.24 O ATOM 1667 CB ILE A 110 13.193 14.656 1.684 1.00 9.02 C ATOM 1668 CG1 ILE A 110 13.974 15.942 1.968 1.00 10.20 C ATOM 1669 CG2 ILE A 110 11.920 14.638 2.518 1.00 9.31 C ATOM 1670 CD1 ILE A 110 14.932 16.356 0.872 1.00 10.55 C ATOM 0 H ILE A 110 15.276 13.411 0.252 1.00 7.89 H new ATOM 0 HA ILE A 110 14.267 13.353 3.029 1.00 7.87 H new ATOM 0 HB ILE A 110 12.923 14.635 0.628 1.00 9.02 H new ATOM 0 HG12 ILE A 110 13.264 16.752 2.136 1.00 10.20 H new ATOM 0 HG13 ILE A 110 14.536 15.813 2.893 1.00 10.20 H new ATOM 0 HG21 ILE A 110 11.332 15.530 2.304 1.00 9.31 H new ATOM 0 HG22 ILE A 110 11.336 13.751 2.272 1.00 9.31 H new ATOM 0 HG23 ILE A 110 12.179 14.620 3.577 1.00 9.31 H new ATOM 0 HD11 ILE A 110 15.440 17.276 1.161 1.00 10.55 H new ATOM 0 HD12 ILE A 110 15.669 15.568 0.716 1.00 10.55 H new ATOM 0 HD13 ILE A 110 14.378 16.522 -0.052 1.00 10.55 H new ATOM 1682 N ALA A 111 12.433 11.646 2.396 1.00 6.58 N ATOM 1683 CA ALA A 111 11.593 10.505 2.067 1.00 5.74 C ATOM 1684 C ALA A 111 10.141 10.794 2.420 1.00 6.51 C ATOM 1685 O ALA A 111 9.867 11.466 3.406 1.00 7.39 O ATOM 1686 CB ALA A 111 12.073 9.265 2.804 1.00 5.00 C ATOM 0 H ALA A 111 12.293 12.014 3.337 1.00 6.58 H new ATOM 0 HA ALA A 111 11.662 10.324 0.994 1.00 5.74 H new ATOM 0 HB1 ALA A 111 11.435 8.419 2.548 1.00 5.00 H new ATOM 0 HB2 ALA A 111 13.101 9.045 2.515 1.00 5.00 H new ATOM 0 HB3 ALA A 111 12.028 9.441 3.879 1.00 5.00 H new ATOM 1692 N MET A 112 9.218 10.303 1.609 1.00 6.37 N ATOM 1693 CA MET A 112 7.793 10.460 1.886 1.00 7.19 C ATOM 1694 C MET A 112 7.251 9.179 2.515 1.00 6.90 C ATOM 1695 O MET A 112 7.037 8.181 1.823 1.00 6.29 O ATOM 1696 CB MET A 112 7.033 10.764 0.594 1.00 7.48 C ATOM 1697 CG MET A 112 7.425 12.078 -0.064 1.00 8.19 C ATOM 1698 SD MET A 112 6.309 12.543 -1.404 1.00 8.85 S ATOM 1699 CE MET A 112 6.453 11.121 -2.487 1.00 8.24 C ATOM 0 H MET A 112 9.427 9.791 0.752 1.00 6.37 H new ATOM 0 HA MET A 112 7.655 11.291 2.578 1.00 7.19 H new ATOM 0 HB2 MET A 112 7.201 9.952 -0.113 1.00 7.48 H new ATOM 0 HB3 MET A 112 5.965 10.783 0.810 1.00 7.48 H new ATOM 0 HG2 MET A 112 7.434 12.868 0.687 1.00 8.19 H new ATOM 0 HG3 MET A 112 8.440 11.997 -0.453 1.00 8.19 H new ATOM 0 HE1 MET A 112 6.059 11.372 -3.472 1.00 8.24 H new ATOM 0 HE2 MET A 112 7.502 10.837 -2.577 1.00 8.24 H new ATOM 0 HE3 MET A 112 5.886 10.288 -2.071 1.00 8.24 H new ATOM 1709 N VAL A 113 7.051 9.208 3.832 1.00 7.60 N ATOM 1710 CA VAL A 113 6.684 8.016 4.583 1.00 7.75 C ATOM 1711 C VAL A 113 5.171 7.789 4.568 1.00 8.59 C ATOM 1712 O VAL A 113 4.384 8.727 4.721 1.00 9.48 O ATOM 1713 CB VAL A 113 7.193 8.097 6.044 1.00 8.42 C ATOM 1714 CG1 VAL A 113 6.380 9.076 6.877 1.00 9.69 C ATOM 1715 CG2 VAL A 113 7.204 6.723 6.687 1.00 8.72 C ATOM 0 H VAL A 113 7.138 10.051 4.400 1.00 7.60 H new ATOM 0 HA VAL A 113 7.163 7.168 4.093 1.00 7.75 H new ATOM 0 HB VAL A 113 8.216 8.473 6.010 1.00 8.42 H new ATOM 0 HG11 VAL A 113 6.771 9.101 7.894 1.00 9.69 H new ATOM 0 HG12 VAL A 113 6.448 10.071 6.438 1.00 9.69 H new ATOM 0 HG13 VAL A 113 5.338 8.758 6.897 1.00 9.69 H new ATOM 0 HG21 VAL A 113 7.565 6.804 7.712 1.00 8.72 H new ATOM 0 HG22 VAL A 113 6.194 6.314 6.689 1.00 8.72 H new ATOM 0 HG23 VAL A 113 7.861 6.062 6.122 1.00 8.72 H new ATOM 1725 N ALA A 114 4.781 6.538 4.379 1.00 8.43 N ATOM 1726 CA ALA A 114 3.379 6.161 4.299 1.00 9.31 C ATOM 1727 C ALA A 114 2.729 6.132 5.676 1.00 10.44 C ATOM 1728 O ALA A 114 2.768 5.118 6.376 1.00 10.70 O ATOM 1729 CB ALA A 114 3.240 4.809 3.615 1.00 8.96 C ATOM 0 H ALA A 114 5.428 5.756 4.277 1.00 8.43 H new ATOM 0 HA ALA A 114 2.860 6.915 3.707 1.00 9.31 H new ATOM 0 HB1 ALA A 114 2.186 4.536 3.560 1.00 8.96 H new ATOM 0 HB2 ALA A 114 3.653 4.867 2.608 1.00 8.96 H new ATOM 0 HB3 ALA A 114 3.781 4.055 4.186 1.00 8.96 H new ATOM 1735 N LYS A 115 2.145 7.254 6.065 1.00 11.26 N ATOM 1736 CA LYS A 115 1.386 7.331 7.304 1.00 12.43 C ATOM 1737 C LYS A 115 -0.007 6.755 7.108 1.00 13.26 C ATOM 1738 O LYS A 115 -0.484 6.621 5.978 1.00 13.19 O ATOM 1739 CB LYS A 115 1.264 8.777 7.785 1.00 13.13 C ATOM 1740 CG LYS A 115 2.495 9.302 8.500 1.00 13.19 C ATOM 1741 CD LYS A 115 2.189 10.620 9.188 1.00 14.08 C ATOM 1742 CE LYS A 115 3.374 11.131 9.993 1.00 14.36 C ATOM 1743 NZ LYS A 115 3.045 12.377 10.736 1.00 14.88 N1+ ATOM 0 H LYS A 115 2.182 8.127 5.539 1.00 11.26 H new ATOM 0 HA LYS A 115 1.922 6.751 8.055 1.00 12.43 H new ATOM 0 HB2 LYS A 115 1.056 9.417 6.927 1.00 13.13 H new ATOM 0 HB3 LYS A 115 0.408 8.854 8.455 1.00 13.13 H new ATOM 0 HG2 LYS A 115 2.835 8.572 9.235 1.00 13.19 H new ATOM 0 HG3 LYS A 115 3.307 9.438 7.786 1.00 13.19 H new ATOM 0 HD2 LYS A 115 1.911 11.363 8.441 1.00 14.08 H new ATOM 0 HD3 LYS A 115 1.330 10.494 9.847 1.00 14.08 H new ATOM 0 HE2 LYS A 115 3.693 10.362 10.697 1.00 14.36 H new ATOM 0 HE3 LYS A 115 4.214 11.319 9.324 1.00 14.36 H new ATOM 0 HZ1 LYS A 115 3.879 12.692 11.272 1.00 14.88 H new ATOM 0 HZ2 LYS A 115 2.765 13.119 10.063 1.00 14.88 H new ATOM 0 HZ3 LYS A 115 2.261 12.192 11.394 1.00 14.88 H new ATOM 1757 N GLY A 116 -0.665 6.444 8.216 1.00 14.15 N ATOM 1758 CA GLY A 116 -2.005 5.897 8.161 1.00 15.10 C ATOM 1759 C GLY A 116 -3.057 6.979 8.047 1.00 16.02 C ATOM 1760 O GLY A 116 -4.235 6.747 8.321 1.00 16.92 O ATOM 0 H GLY A 116 -0.291 6.562 9.158 1.00 14.15 H new ATOM 0 HA2 GLY A 116 -2.086 5.222 7.309 1.00 15.10 H new ATOM 0 HA3 GLY A 116 -2.191 5.304 9.056 1.00 15.10 H new ATOM 1764 N GLU A 117 -2.624 8.169 7.650 1.00 15.88 N ATOM 1765 CA GLU A 117 -3.529 9.291 7.462 1.00 16.82 C ATOM 1766 C GLU A 117 -3.835 9.497 5.986 1.00 16.56 C ATOM 1767 O GLU A 117 -4.402 10.515 5.587 1.00 17.25 O ATOM 1768 CB GLU A 117 -2.931 10.572 8.039 1.00 17.04 C ATOM 1769 CG GLU A 117 -2.686 10.498 9.530 1.00 17.42 C ATOM 1770 CD GLU A 117 -2.339 11.844 10.127 1.00 17.95 C ATOM 1771 OE1 GLU A 117 -3.189 12.758 10.080 1.00 18.56 O ATOM 1772 OE2 GLU A 117 -1.219 11.994 10.654 1.00 17.82 O1- ATOM 0 H GLU A 117 -1.646 8.380 7.452 1.00 15.88 H new ATOM 0 HA GLU A 117 -4.455 9.060 7.989 1.00 16.82 H new ATOM 0 HB2 GLU A 117 -1.989 10.785 7.533 1.00 17.04 H new ATOM 0 HB3 GLU A 117 -3.602 11.405 7.829 1.00 17.04 H new ATOM 0 HG2 GLU A 117 -3.575 10.104 10.022 1.00 17.42 H new ATOM 0 HG3 GLU A 117 -1.875 9.797 9.727 1.00 17.42 H new ATOM 1779 N GLY A 118 -3.443 8.518 5.177 1.00 15.62 N ATOM 1780 CA GLY A 118 -3.674 8.590 3.747 1.00 15.41 C ATOM 1781 C GLY A 118 -2.624 9.414 3.032 1.00 14.71 C ATOM 1782 O GLY A 118 -2.587 9.450 1.801 1.00 14.71 O ATOM 0 H GLY A 118 -2.967 7.672 5.489 1.00 15.62 H new ATOM 0 HA2 GLY A 118 -3.685 7.582 3.333 1.00 15.41 H new ATOM 0 HA3 GLY A 118 -4.658 9.021 3.562 1.00 15.41 H new ATOM 1786 N GLY A 119 -1.750 10.048 3.805 1.00 14.19 N ATOM 1787 CA GLY A 119 -0.774 10.950 3.247 1.00 13.68 C ATOM 1788 C GLY A 119 0.636 10.484 3.510 1.00 12.53 C ATOM 1789 O GLY A 119 0.868 9.595 4.333 1.00 12.20 O ATOM 0 H GLY A 119 -1.705 9.948 4.819 1.00 14.19 H new ATOM 0 HA2 GLY A 119 -0.933 11.038 2.172 1.00 13.68 H new ATOM 0 HA3 GLY A 119 -0.913 11.944 3.672 1.00 13.68 H new ATOM 1793 N PHE A 120 1.576 11.097 2.821 1.00 12.03 N ATOM 1794 CA PHE A 120 2.965 10.688 2.877 1.00 10.94 C ATOM 1795 C PHE A 120 3.814 11.812 3.441 1.00 11.32 C ATOM 1796 O PHE A 120 3.998 12.857 2.813 1.00 11.97 O ATOM 1797 CB PHE A 120 3.423 10.315 1.474 1.00 10.11 C ATOM 1798 CG PHE A 120 2.531 9.308 0.810 1.00 9.82 C ATOM 1799 CD1 PHE A 120 2.534 7.988 1.221 1.00 9.56 C ATOM 1800 CD2 PHE A 120 1.679 9.686 -0.215 1.00 9.99 C ATOM 1801 CE1 PHE A 120 1.709 7.058 0.622 1.00 9.49 C ATOM 1802 CE2 PHE A 120 0.850 8.763 -0.821 1.00 9.89 C ATOM 1803 CZ PHE A 120 0.862 7.446 -0.399 1.00 9.66 C ATOM 0 H PHE A 120 1.400 11.892 2.207 1.00 12.03 H new ATOM 0 HA PHE A 120 3.074 9.823 3.531 1.00 10.94 H new ATOM 0 HB2 PHE A 120 3.464 11.215 0.861 1.00 10.11 H new ATOM 0 HB3 PHE A 120 4.436 9.917 1.523 1.00 10.11 H new ATOM 0 HD1 PHE A 120 3.191 7.681 2.021 1.00 9.56 H new ATOM 0 HD2 PHE A 120 1.663 10.715 -0.544 1.00 9.99 H new ATOM 0 HE1 PHE A 120 1.725 6.029 0.950 1.00 9.49 H new ATOM 0 HE2 PHE A 120 0.194 9.069 -1.623 1.00 9.89 H new ATOM 0 HZ PHE A 120 0.211 6.722 -0.866 1.00 9.66 H new ATOM 1813 N ASP A 121 4.323 11.583 4.637 1.00 11.05 N ATOM 1814 CA ASP A 121 4.998 12.619 5.396 1.00 11.56 C ATOM 1815 C ASP A 121 6.494 12.623 5.118 1.00 10.58 C ATOM 1816 O ASP A 121 7.133 11.570 5.134 1.00 9.55 O ATOM 1817 CB ASP A 121 4.718 12.432 6.884 1.00 12.35 C ATOM 1818 CG ASP A 121 5.430 13.431 7.774 1.00 13.39 C ATOM 1819 OD1 ASP A 121 5.009 14.606 7.813 1.00 13.91 O1- ATOM 1820 OD2 ASP A 121 6.436 13.055 8.407 1.00 13.79 O ATOM 0 H ASP A 121 4.281 10.679 5.108 1.00 11.05 H new ATOM 0 HA ASP A 121 4.609 13.588 5.083 1.00 11.56 H new ATOM 0 HB2 ASP A 121 3.644 12.510 7.054 1.00 12.35 H new ATOM 0 HB3 ASP A 121 5.015 11.425 7.176 1.00 12.35 H new ATOM 1825 N PRO A 122 7.083 13.793 4.887 1.00 10.99 N ATOM 1826 CA PRO A 122 8.483 13.894 4.503 1.00 10.31 C ATOM 1827 C PRO A 122 9.445 13.789 5.690 1.00 10.40 C ATOM 1828 O PRO A 122 9.207 14.334 6.768 1.00 11.44 O ATOM 1829 CB PRO A 122 8.552 15.270 3.848 1.00 11.13 C ATOM 1830 CG PRO A 122 7.467 16.077 4.480 1.00 12.35 C ATOM 1831 CD PRO A 122 6.436 15.108 5.002 1.00 12.29 C ATOM 0 HA PRO A 122 8.792 13.077 3.851 1.00 10.31 H new ATOM 0 HB2 PRO A 122 9.526 15.731 4.009 1.00 11.13 H new ATOM 0 HB3 PRO A 122 8.408 15.197 2.770 1.00 11.13 H new ATOM 0 HG2 PRO A 122 7.865 16.689 5.290 1.00 12.35 H new ATOM 0 HG3 PRO A 122 7.022 16.758 3.755 1.00 12.35 H new ATOM 0 HD2 PRO A 122 6.168 15.330 6.035 1.00 12.29 H new ATOM 0 HD3 PRO A 122 5.517 15.152 4.418 1.00 12.29 H new ATOM 1839 N VAL A 123 10.509 13.034 5.481 1.00 9.36 N ATOM 1840 CA VAL A 123 11.552 12.860 6.477 1.00 9.43 C ATOM 1841 C VAL A 123 12.902 13.264 5.889 1.00 9.05 C ATOM 1842 O VAL A 123 13.280 12.802 4.811 1.00 8.18 O ATOM 1843 CB VAL A 123 11.623 11.394 6.981 1.00 8.79 C ATOM 1844 CG1 VAL A 123 11.967 10.440 5.863 1.00 7.90 C ATOM 1845 CG2 VAL A 123 12.601 11.253 8.138 1.00 9.39 C ATOM 0 H VAL A 123 10.675 12.523 4.614 1.00 9.36 H new ATOM 0 HA VAL A 123 11.311 13.498 7.327 1.00 9.43 H new ATOM 0 HB VAL A 123 10.631 11.130 7.348 1.00 8.79 H new ATOM 0 HG11 VAL A 123 12.008 9.423 6.252 1.00 7.90 H new ATOM 0 HG12 VAL A 123 11.205 10.500 5.086 1.00 7.90 H new ATOM 0 HG13 VAL A 123 12.936 10.707 5.442 1.00 7.90 H new ATOM 0 HG21 VAL A 123 12.627 10.214 8.468 1.00 9.39 H new ATOM 0 HG22 VAL A 123 13.596 11.556 7.812 1.00 9.39 H new ATOM 0 HG23 VAL A 123 12.281 11.888 8.964 1.00 9.39 H new ATOM 1855 N GLU A 124 13.611 14.144 6.570 1.00 9.85 N ATOM 1856 CA GLU A 124 14.928 14.550 6.120 1.00 9.72 C ATOM 1857 C GLU A 124 15.961 13.527 6.571 1.00 8.90 C ATOM 1858 O GLU A 124 16.202 13.353 7.770 1.00 9.21 O ATOM 1859 CB GLU A 124 15.278 15.934 6.652 1.00 10.96 C ATOM 1860 CG GLU A 124 16.574 16.478 6.083 1.00 11.07 C ATOM 1861 CD GLU A 124 16.925 17.833 6.644 1.00 12.34 C ATOM 1862 OE1 GLU A 124 17.428 17.897 7.782 1.00 12.93 O1- ATOM 1863 OE2 GLU A 124 16.690 18.842 5.948 1.00 12.83 O ATOM 0 H GLU A 124 13.299 14.589 7.433 1.00 9.85 H new ATOM 0 HA GLU A 124 14.928 14.600 5.031 1.00 9.72 H new ATOM 0 HB2 GLU A 124 14.467 16.623 6.417 1.00 10.96 H new ATOM 0 HB3 GLU A 124 15.355 15.891 7.738 1.00 10.96 H new ATOM 0 HG2 GLU A 124 17.383 15.779 6.296 1.00 11.07 H new ATOM 0 HG3 GLU A 124 16.490 16.548 4.998 1.00 11.07 H new ATOM 1870 N VAL A 125 16.563 12.858 5.605 1.00 8.03 N ATOM 1871 CA VAL A 125 17.465 11.743 5.874 1.00 7.30 C ATOM 1872 C VAL A 125 18.781 11.905 5.123 1.00 7.38 C ATOM 1873 O VAL A 125 18.984 12.885 4.402 1.00 7.84 O ATOM 1874 CB VAL A 125 16.825 10.400 5.455 1.00 6.19 C ATOM 1875 CG1 VAL A 125 15.566 10.131 6.256 1.00 6.15 C ATOM 1876 CG2 VAL A 125 16.515 10.388 3.963 1.00 5.62 C ATOM 0 H VAL A 125 16.444 13.068 4.614 1.00 8.03 H new ATOM 0 HA VAL A 125 17.656 11.741 6.947 1.00 7.30 H new ATOM 0 HB VAL A 125 17.544 9.607 5.663 1.00 6.19 H new ATOM 0 HG11 VAL A 125 15.133 9.181 5.944 1.00 6.15 H new ATOM 0 HG12 VAL A 125 15.812 10.087 7.317 1.00 6.15 H new ATOM 0 HG13 VAL A 125 14.847 10.932 6.083 1.00 6.15 H new ATOM 0 HG21 VAL A 125 16.065 9.433 3.692 1.00 5.62 H new ATOM 0 HG22 VAL A 125 15.821 11.195 3.729 1.00 5.62 H new ATOM 0 HG23 VAL A 125 17.437 10.528 3.399 1.00 5.62 H new ATOM 1886 N LYS A 126 19.676 10.941 5.297 1.00 7.21 N ATOM 1887 CA LYS A 126 20.910 10.919 4.542 1.00 7.44 C ATOM 1888 C LYS A 126 20.895 9.787 3.535 1.00 6.77 C ATOM 1889 O LYS A 126 20.648 8.638 3.889 1.00 6.29 O ATOM 1890 CB LYS A 126 22.134 10.788 5.437 1.00 8.03 C ATOM 1891 CG LYS A 126 23.420 10.679 4.652 1.00 8.46 C ATOM 1892 CD LYS A 126 24.640 10.601 5.545 1.00 9.06 C ATOM 1893 CE LYS A 126 24.860 11.870 6.365 1.00 9.72 C ATOM 1894 NZ LYS A 126 24.082 11.879 7.635 1.00 10.39 N1+ ATOM 0 H LYS A 126 19.566 10.168 5.954 1.00 7.21 H new ATOM 0 HA LYS A 126 20.978 11.874 4.022 1.00 7.44 H new ATOM 0 HB2 LYS A 126 22.189 11.652 6.099 1.00 8.03 H new ATOM 0 HB3 LYS A 126 22.024 9.908 6.070 1.00 8.03 H new ATOM 0 HG2 LYS A 126 23.381 9.793 4.018 1.00 8.46 H new ATOM 0 HG3 LYS A 126 23.512 11.541 3.991 1.00 8.46 H new ATOM 0 HD2 LYS A 126 24.536 9.752 6.220 1.00 9.06 H new ATOM 0 HD3 LYS A 126 25.521 10.414 4.932 1.00 9.06 H new ATOM 0 HE2 LYS A 126 25.921 11.970 6.594 1.00 9.72 H new ATOM 0 HE3 LYS A 126 24.580 12.737 5.767 1.00 9.72 H new ATOM 0 HZ1 LYS A 126 23.376 12.642 7.604 1.00 10.39 H new ATOM 0 HZ2 LYS A 126 23.599 10.966 7.753 1.00 10.39 H new ATOM 0 HZ3 LYS A 126 24.727 12.035 8.436 1.00 10.39 H new ATOM 1908 N ALA A 127 21.163 10.115 2.291 1.00 7.04 N ATOM 1909 CA ALA A 127 21.171 9.131 1.230 1.00 6.78 C ATOM 1910 C ALA A 127 22.262 9.416 0.218 1.00 7.69 C ATOM 1911 O ALA A 127 22.209 10.428 -0.476 1.00 8.30 O ATOM 1912 CB ALA A 127 19.832 9.106 0.532 1.00 6.34 C ATOM 0 H ALA A 127 21.380 11.064 1.987 1.00 7.04 H new ATOM 0 HA ALA A 127 21.367 8.159 1.683 1.00 6.78 H new ATOM 0 HB1 ALA A 127 19.851 8.362 -0.264 1.00 6.34 H new ATOM 0 HB2 ALA A 127 19.052 8.850 1.250 1.00 6.34 H new ATOM 0 HB3 ALA A 127 19.625 10.088 0.106 1.00 6.34 H new ATOM 1918 N GLY A 128 23.267 8.569 0.141 1.00 8.00 N ATOM 1919 CA GLY A 128 24.143 8.653 -1.003 1.00 8.94 C ATOM 1920 C GLY A 128 24.820 7.349 -1.344 1.00 9.46 C ATOM 1921 O GLY A 128 26.016 7.184 -1.116 1.00 10.10 O ATOM 0 H GLY A 128 23.490 7.846 0.825 1.00 8.00 H new ATOM 0 HA2 GLY A 128 23.569 8.991 -1.866 1.00 8.94 H new ATOM 0 HA3 GLY A 128 24.905 9.409 -0.812 1.00 8.94 H new ATOM 1925 N ALA A 129 24.050 6.417 -1.875 1.00 9.37 N ATOM 1926 CA ALA A 129 24.572 5.344 -2.693 1.00 10.27 C ATOM 1927 C ALA A 129 23.531 4.969 -3.730 1.00 10.12 C ATOM 1928 O ALA A 129 22.344 5.246 -3.536 1.00 9.18 O ATOM 1929 CB ALA A 129 24.973 4.148 -1.860 1.00 10.61 C ATOM 0 H ALA A 129 23.038 6.385 -1.748 1.00 9.37 H new ATOM 0 HA ALA A 129 25.477 5.688 -3.194 1.00 10.27 H new ATOM 0 HB1 ALA A 129 25.360 3.364 -2.511 1.00 10.61 H new ATOM 0 HB2 ALA A 129 25.745 4.442 -1.149 1.00 10.61 H new ATOM 0 HB3 ALA A 129 24.104 3.774 -1.319 1.00 10.61 H new ATOM 1935 N THR A 130 23.946 4.349 -4.810 1.00 11.12 N ATOM 1936 CA THR A 130 23.007 3.759 -5.745 1.00 11.19 C ATOM 1937 C THR A 130 23.612 2.517 -6.369 1.00 12.15 C ATOM 1938 O THR A 130 24.682 2.562 -6.978 1.00 13.17 O ATOM 1939 CB THR A 130 22.583 4.731 -6.857 1.00 11.72 C ATOM 1940 OG1 THR A 130 22.161 5.980 -6.295 1.00 11.18 O ATOM 1941 CG2 THR A 130 21.452 4.147 -7.694 1.00 11.68 C ATOM 0 H THR A 130 24.927 4.238 -5.066 1.00 11.12 H new ATOM 0 HA THR A 130 22.113 3.504 -5.176 1.00 11.19 H new ATOM 0 HB THR A 130 23.447 4.895 -7.500 1.00 11.72 H new ATOM 0 HG1 THR A 130 21.895 6.590 -7.015 1.00 11.18 H new ATOM 0 HG21 THR A 130 21.172 4.856 -8.473 1.00 11.68 H new ATOM 0 HG22 THR A 130 21.783 3.215 -8.153 1.00 11.68 H new ATOM 0 HG23 THR A 130 20.591 3.951 -7.056 1.00 11.68 H new ATOM 1949 N ALA A 131 22.922 1.415 -6.198 1.00 11.92 N ATOM 1950 CA ALA A 131 23.389 0.134 -6.680 1.00 12.91 C ATOM 1951 C ALA A 131 22.277 -0.603 -7.413 1.00 12.98 C ATOM 1952 O ALA A 131 21.318 -1.071 -6.795 1.00 12.19 O ATOM 1953 CB ALA A 131 23.916 -0.700 -5.522 1.00 12.87 C ATOM 0 H ALA A 131 22.021 1.379 -5.721 1.00 11.92 H new ATOM 0 HA ALA A 131 24.203 0.303 -7.385 1.00 12.91 H new ATOM 0 HB1 ALA A 131 24.265 -1.662 -5.896 1.00 12.87 H new ATOM 0 HB2 ALA A 131 24.743 -0.176 -5.043 1.00 12.87 H new ATOM 0 HB3 ALA A 131 23.118 -0.860 -4.797 1.00 12.87 H new ATOM 1959 N GLY A 132 22.394 -0.674 -8.730 1.00 14.01 N ATOM 1960 CA GLY A 132 21.423 -1.394 -9.533 1.00 14.34 C ATOM 1961 C GLY A 132 20.061 -0.735 -9.519 1.00 13.47 C ATOM 1962 O GLY A 132 19.036 -1.411 -9.471 1.00 13.23 O ATOM 0 H GLY A 132 23.150 -0.243 -9.262 1.00 14.01 H new ATOM 0 HA2 GLY A 132 21.782 -1.459 -10.560 1.00 14.34 H new ATOM 0 HA3 GLY A 132 21.334 -2.415 -9.161 1.00 14.34 H new ATOM 1966 N GLY A 133 20.053 0.592 -9.537 1.00 13.12 N ATOM 1967 CA GLY A 133 18.802 1.326 -9.547 1.00 12.40 C ATOM 1968 C GLY A 133 18.231 1.521 -8.158 1.00 10.98 C ATOM 1969 O GLY A 133 17.198 2.171 -7.989 1.00 10.30 O ATOM 0 H GLY A 133 20.891 1.173 -9.545 1.00 13.12 H new ATOM 0 HA2 GLY A 133 18.960 2.300 -10.011 1.00 12.40 H new ATOM 0 HA3 GLY A 133 18.077 0.793 -10.162 1.00 12.40 H new ATOM 1973 N GLN A 134 18.890 0.962 -7.155 1.00 10.62 N ATOM 1974 CA GLN A 134 18.440 1.119 -5.787 1.00 9.33 C ATOM 1975 C GLN A 134 19.357 2.082 -5.067 1.00 8.96 C ATOM 1976 O GLN A 134 20.517 2.211 -5.435 1.00 9.81 O ATOM 1977 CB GLN A 134 18.395 -0.218 -5.042 1.00 9.38 C ATOM 1978 CG GLN A 134 17.497 -1.260 -5.689 1.00 9.89 C ATOM 1979 CD GLN A 134 16.039 -0.850 -5.705 1.00 10.08 C ATOM 1980 OE1 GLN A 134 15.298 -1.116 -4.763 1.00 10.39 O ATOM 1981 NE2 GLN A 134 15.612 -0.208 -6.779 1.00 10.17 N ATOM 0 H GLN A 134 19.733 0.399 -7.265 1.00 10.62 H new ATOM 0 HA GLN A 134 17.424 1.514 -5.808 1.00 9.33 H new ATOM 0 HB2 GLN A 134 19.407 -0.618 -4.974 1.00 9.38 H new ATOM 0 HB3 GLN A 134 18.053 -0.042 -4.022 1.00 9.38 H new ATOM 0 HG2 GLN A 134 17.831 -1.437 -6.711 1.00 9.89 H new ATOM 0 HG3 GLN A 134 17.598 -2.204 -5.153 1.00 9.89 H new ATOM 0 HE21 GLN A 134 16.258 -0.005 -7.542 1.00 10.17 H new ATOM 0 HE22 GLN A 134 14.637 0.084 -6.845 1.00 10.17 H new ATOM 1990 N SER A 135 18.869 2.735 -4.046 1.00 7.82 N ATOM 1991 CA SER A 135 19.680 3.691 -3.335 1.00 7.56 C ATOM 1992 C SER A 135 19.932 3.243 -1.904 1.00 7.12 C ATOM 1993 O SER A 135 19.288 2.313 -1.411 1.00 6.78 O ATOM 1994 CB SER A 135 19.041 5.081 -3.381 1.00 6.91 C ATOM 1995 OG SER A 135 17.656 5.016 -3.085 1.00 6.85 O ATOM 0 H SER A 135 17.920 2.625 -3.689 1.00 7.82 H new ATOM 0 HA SER A 135 20.648 3.750 -3.832 1.00 7.56 H new ATOM 0 HB2 SER A 135 19.538 5.737 -2.667 1.00 6.91 H new ATOM 0 HB3 SER A 135 19.185 5.518 -4.369 1.00 6.91 H new ATOM 0 HG SER A 135 17.357 4.084 -3.124 1.00 6.85 H new ATOM 2001 N GLU A 136 20.884 3.881 -1.252 1.00 7.39 N ATOM 2002 CA GLU A 136 21.158 3.605 0.155 1.00 7.25 C ATOM 2003 C GLU A 136 20.844 4.808 1.031 1.00 6.42 C ATOM 2004 O GLU A 136 21.384 5.899 0.842 1.00 6.54 O ATOM 2005 CB GLU A 136 22.620 3.230 0.361 1.00 8.31 C ATOM 2006 CG GLU A 136 23.003 1.873 -0.206 1.00 9.31 C ATOM 2007 CD GLU A 136 24.277 1.324 0.418 1.00 10.29 C ATOM 2008 OE1 GLU A 136 25.111 2.131 0.881 1.00 10.69 O ATOM 2009 OE2 GLU A 136 24.453 0.083 0.438 1.00 10.79 O1- ATOM 0 H GLU A 136 21.483 4.594 -1.668 1.00 7.39 H new ATOM 0 HA GLU A 136 20.516 2.772 0.442 1.00 7.25 H new ATOM 0 HB2 GLU A 136 23.247 3.993 -0.099 1.00 8.31 H new ATOM 0 HB3 GLU A 136 22.838 3.239 1.429 1.00 8.31 H new ATOM 0 HG2 GLU A 136 22.187 1.169 -0.040 1.00 9.31 H new ATOM 0 HG3 GLU A 136 23.137 1.957 -1.285 1.00 9.31 H new ATOM 2016 N ILE A 137 19.943 4.598 1.977 1.00 5.86 N ATOM 2017 CA ILE A 137 19.698 5.559 3.034 1.00 5.49 C ATOM 2018 C ILE A 137 20.687 5.311 4.153 1.00 6.25 C ATOM 2019 O ILE A 137 20.550 4.357 4.923 1.00 6.73 O ATOM 2020 CB ILE A 137 18.254 5.471 3.576 1.00 4.93 C ATOM 2021 CG1 ILE A 137 17.252 5.846 2.489 1.00 4.16 C ATOM 2022 CG2 ILE A 137 18.073 6.367 4.796 1.00 5.24 C ATOM 2023 CD1 ILE A 137 17.477 7.225 1.922 1.00 4.21 C ATOM 0 H ILE A 137 19.364 3.760 2.032 1.00 5.86 H new ATOM 0 HA ILE A 137 19.825 6.561 2.625 1.00 5.49 H new ATOM 0 HB ILE A 137 18.070 4.441 3.881 1.00 4.93 H new ATOM 0 HG12 ILE A 137 17.310 5.115 1.683 1.00 4.16 H new ATOM 0 HG13 ILE A 137 16.243 5.789 2.899 1.00 4.16 H new ATOM 0 HG21 ILE A 137 17.048 6.286 5.158 1.00 5.24 H new ATOM 0 HG22 ILE A 137 18.761 6.055 5.582 1.00 5.24 H new ATOM 0 HG23 ILE A 137 18.281 7.401 4.522 1.00 5.24 H new ATOM 0 HD11 ILE A 137 16.731 7.429 1.154 1.00 4.21 H new ATOM 0 HD12 ILE A 137 17.390 7.964 2.718 1.00 4.21 H new ATOM 0 HD13 ILE A 137 18.473 7.280 1.483 1.00 4.21 H new ATOM 2035 N LEU A 138 21.698 6.163 4.200 1.00 6.60 N ATOM 2036 CA LEU A 138 22.791 6.038 5.155 1.00 7.40 C ATOM 2037 C LEU A 138 22.263 6.212 6.563 1.00 7.59 C ATOM 2038 O LEU A 138 22.495 5.378 7.437 1.00 8.21 O ATOM 2039 CB LEU A 138 23.877 7.092 4.890 1.00 7.87 C ATOM 2040 CG LEU A 138 24.786 6.894 3.659 1.00 8.31 C ATOM 2041 CD1 LEU A 138 24.240 5.856 2.691 1.00 7.93 C ATOM 2042 CD2 LEU A 138 24.975 8.221 2.944 1.00 8.79 C ATOM 0 H LEU A 138 21.786 6.964 3.575 1.00 6.60 H new ATOM 0 HA LEU A 138 23.229 5.047 5.041 1.00 7.40 H new ATOM 0 HB2 LEU A 138 23.387 8.061 4.792 1.00 7.87 H new ATOM 0 HB3 LEU A 138 24.515 7.145 5.772 1.00 7.87 H new ATOM 0 HG LEU A 138 25.745 6.522 4.019 1.00 8.31 H new ATOM 0 HD11 LEU A 138 24.918 5.756 1.844 1.00 7.93 H new ATOM 0 HD12 LEU A 138 24.151 4.896 3.199 1.00 7.93 H new ATOM 0 HD13 LEU A 138 23.259 6.171 2.335 1.00 7.93 H new ATOM 0 HD21 LEU A 138 25.617 8.078 2.075 1.00 8.79 H new ATOM 0 HD22 LEU A 138 24.006 8.601 2.620 1.00 8.79 H new ATOM 0 HD23 LEU A 138 25.437 8.938 3.623 1.00 8.79 H new ATOM 2054 N GLU A 139 21.541 7.301 6.767 1.00 7.31 N ATOM 2055 CA GLU A 139 20.977 7.615 8.066 1.00 7.84 C ATOM 2056 C GLU A 139 19.589 8.209 7.915 1.00 7.45 C ATOM 2057 O GLU A 139 19.223 8.687 6.842 1.00 6.77 O ATOM 2058 CB GLU A 139 21.873 8.601 8.810 1.00 8.66 C ATOM 2059 CG GLU A 139 22.996 7.951 9.602 1.00 9.21 C ATOM 2060 CD GLU A 139 22.490 7.131 10.773 1.00 9.98 C ATOM 2061 OE1 GLU A 139 21.989 7.727 11.750 1.00 10.44 O ATOM 2062 OE2 GLU A 139 22.603 5.891 10.734 1.00 10.28 O1- ATOM 0 H GLU A 139 21.331 7.987 6.042 1.00 7.31 H new ATOM 0 HA GLU A 139 20.908 6.690 8.638 1.00 7.84 H new ATOM 0 HB2 GLU A 139 22.307 9.295 8.090 1.00 8.66 H new ATOM 0 HB3 GLU A 139 21.258 9.191 9.490 1.00 8.66 H new ATOM 0 HG2 GLU A 139 23.578 7.310 8.940 1.00 9.21 H new ATOM 0 HG3 GLU A 139 23.670 8.725 9.970 1.00 9.21 H new ATOM 2069 N GLY A 140 18.821 8.178 8.990 1.00 8.06 N ATOM 2070 CA GLY A 140 17.535 8.831 8.991 1.00 8.05 C ATOM 2071 C GLY A 140 16.394 7.888 9.305 1.00 8.05 C ATOM 2072 O GLY A 140 15.730 8.033 10.331 1.00 8.87 O ATOM 0 H GLY A 140 19.067 7.711 9.863 1.00 8.06 H new ATOM 0 HA2 GLY A 140 17.544 9.638 9.723 1.00 8.05 H new ATOM 0 HA3 GLY A 140 17.364 9.287 8.016 1.00 8.05 H new ATOM 2076 N LEU A 141 16.178 6.913 8.432 1.00 7.34 N ATOM 2077 CA LEU A 141 15.021 6.027 8.554 1.00 7.46 C ATOM 2078 C LEU A 141 15.379 4.656 9.122 1.00 8.16 C ATOM 2079 O LEU A 141 16.533 4.381 9.464 1.00 8.50 O ATOM 2080 CB LEU A 141 14.316 5.855 7.208 1.00 6.40 C ATOM 2081 CG LEU A 141 13.397 7.007 6.796 1.00 6.03 C ATOM 2082 CD1 LEU A 141 12.836 6.760 5.405 1.00 5.58 C ATOM 2083 CD2 LEU A 141 12.268 7.180 7.806 1.00 6.58 C ATOM 0 H LEU A 141 16.783 6.714 7.635 1.00 7.34 H new ATOM 0 HA LEU A 141 14.346 6.510 9.261 1.00 7.46 H new ATOM 0 HB2 LEU A 141 15.073 5.722 6.435 1.00 6.40 H new ATOM 0 HB3 LEU A 141 13.728 4.937 7.240 1.00 6.40 H new ATOM 0 HG LEU A 141 13.981 7.927 6.777 1.00 6.03 H new ATOM 0 HD11 LEU A 141 12.184 7.587 5.124 1.00 5.58 H new ATOM 0 HD12 LEU A 141 13.655 6.685 4.690 1.00 5.58 H new ATOM 0 HD13 LEU A 141 12.266 5.831 5.402 1.00 5.58 H new ATOM 0 HD21 LEU A 141 11.625 8.004 7.496 1.00 6.58 H new ATOM 0 HD22 LEU A 141 11.682 6.262 7.858 1.00 6.58 H new ATOM 0 HD23 LEU A 141 12.688 7.398 8.788 1.00 6.58 H new ATOM 2095 N LYS A 142 14.365 3.800 9.197 1.00 8.54 N ATOM 2096 CA LYS A 142 14.489 2.474 9.778 1.00 9.51 C ATOM 2097 C LYS A 142 13.625 1.485 9.012 1.00 9.48 C ATOM 2098 O LYS A 142 12.698 1.865 8.306 1.00 8.97 O ATOM 2099 CB LYS A 142 14.025 2.528 11.234 1.00 10.71 C ATOM 2100 CG LYS A 142 14.083 1.188 11.942 1.00 11.83 C ATOM 2101 CD LYS A 142 13.619 1.289 13.382 1.00 12.89 C ATOM 2102 CE LYS A 142 13.746 -0.049 14.096 1.00 13.50 C ATOM 2103 NZ LYS A 142 15.156 -0.525 14.142 1.00 14.15 N1+ ATOM 0 H LYS A 142 13.428 4.012 8.853 1.00 8.54 H new ATOM 0 HA LYS A 142 15.529 2.151 9.725 1.00 9.51 H new ATOM 0 HB2 LYS A 142 14.643 3.243 11.777 1.00 10.71 H new ATOM 0 HB3 LYS A 142 13.002 2.902 11.266 1.00 10.71 H new ATOM 0 HG2 LYS A 142 13.461 0.469 11.410 1.00 11.83 H new ATOM 0 HG3 LYS A 142 15.104 0.807 11.915 1.00 11.83 H new ATOM 0 HD2 LYS A 142 14.210 2.041 13.905 1.00 12.89 H new ATOM 0 HD3 LYS A 142 12.582 1.622 13.410 1.00 12.89 H new ATOM 0 HE2 LYS A 142 13.361 0.044 15.112 1.00 13.50 H new ATOM 0 HE3 LYS A 142 13.129 -0.791 13.588 1.00 13.50 H new ATOM 0 HZ1 LYS A 142 15.245 -1.279 14.853 1.00 14.15 H new ATOM 0 HZ2 LYS A 142 15.428 -0.895 13.209 1.00 14.15 H new ATOM 0 HZ3 LYS A 142 15.781 0.266 14.397 1.00 14.15 H new ATOM 2117 N ALA A 143 13.959 0.212 9.158 1.00 10.19 N ATOM 2118 CA ALA A 143 13.226 -0.864 8.521 1.00 10.49 C ATOM 2119 C ALA A 143 11.850 -1.006 9.139 1.00 11.20 C ATOM 2120 O ALA A 143 11.719 -1.116 10.359 1.00 12.12 O ATOM 2121 CB ALA A 143 13.984 -2.163 8.641 1.00 11.37 C ATOM 0 H ALA A 143 14.748 -0.102 9.723 1.00 10.19 H new ATOM 0 HA ALA A 143 13.112 -0.622 7.464 1.00 10.49 H new ATOM 0 HB1 ALA A 143 13.419 -2.960 8.157 1.00 11.37 H new ATOM 0 HB2 ALA A 143 14.956 -2.063 8.158 1.00 11.37 H new ATOM 0 HB3 ALA A 143 14.125 -2.406 9.694 1.00 11.37 H new ATOM 2127 N GLY A 144 10.840 -1.034 8.291 1.00 10.88 N ATOM 2128 CA GLY A 144 9.469 -0.977 8.760 1.00 11.54 C ATOM 2129 C GLY A 144 8.815 0.323 8.346 1.00 10.82 C ATOM 2130 O GLY A 144 7.615 0.519 8.522 1.00 11.32 O ATOM 0 H GLY A 144 10.942 -1.096 7.278 1.00 10.88 H new ATOM 0 HA2 GLY A 144 8.906 -1.818 8.355 1.00 11.54 H new ATOM 0 HA3 GLY A 144 9.447 -1.071 9.846 1.00 11.54 H new ATOM 2134 N GLN A 145 9.623 1.206 7.782 1.00 9.74 N ATOM 2135 CA GLN A 145 9.169 2.508 7.322 1.00 9.10 C ATOM 2136 C GLN A 145 8.898 2.474 5.828 1.00 8.05 C ATOM 2137 O GLN A 145 9.787 2.208 5.028 1.00 7.35 O ATOM 2138 CB GLN A 145 10.245 3.537 7.636 1.00 8.76 C ATOM 2139 CG GLN A 145 10.448 3.742 9.124 1.00 9.88 C ATOM 2140 CD GLN A 145 9.338 4.563 9.751 1.00 10.75 C ATOM 2141 OE1 GLN A 145 8.330 4.021 10.205 1.00 11.13 O ATOM 2142 NE2 GLN A 145 9.509 5.876 9.776 1.00 11.24 N ATOM 0 H GLN A 145 10.618 1.039 7.630 1.00 9.74 H new ATOM 0 HA GLN A 145 8.242 2.775 7.830 1.00 9.10 H new ATOM 0 HB2 GLN A 145 11.186 3.220 7.186 1.00 8.76 H new ATOM 0 HB3 GLN A 145 9.976 4.488 7.177 1.00 8.76 H new ATOM 0 HG2 GLN A 145 10.502 2.772 9.618 1.00 9.88 H new ATOM 0 HG3 GLN A 145 11.403 4.239 9.293 1.00 9.88 H new ATOM 0 HE21 GLN A 145 10.359 6.287 9.389 1.00 11.24 H new ATOM 0 HE22 GLN A 145 8.791 6.476 10.182 1.00 11.24 H new ATOM 2151 N GLN A 146 7.647 2.707 5.470 1.00 8.12 N ATOM 2152 CA GLN A 146 7.222 2.660 4.083 1.00 7.34 C ATOM 2153 C GLN A 146 7.424 3.994 3.398 1.00 6.41 C ATOM 2154 O GLN A 146 6.941 5.017 3.870 1.00 6.79 O ATOM 2155 CB GLN A 146 5.746 2.295 3.994 1.00 8.14 C ATOM 2156 CG GLN A 146 5.473 0.830 4.195 1.00 9.01 C ATOM 2157 CD GLN A 146 3.993 0.524 4.269 1.00 9.89 C ATOM 2158 OE1 GLN A 146 3.351 0.264 3.254 1.00 10.17 O ATOM 2159 NE2 GLN A 146 3.439 0.556 5.467 1.00 10.49 N ATOM 0 H GLN A 146 6.902 2.933 6.129 1.00 8.12 H new ATOM 0 HA GLN A 146 7.830 1.905 3.585 1.00 7.34 H new ATOM 0 HB2 GLN A 146 5.194 2.864 4.742 1.00 8.14 H new ATOM 0 HB3 GLN A 146 5.364 2.596 3.018 1.00 8.14 H new ATOM 0 HG2 GLN A 146 5.918 0.265 3.376 1.00 9.01 H new ATOM 0 HG3 GLN A 146 5.957 0.496 5.113 1.00 9.01 H new ATOM 0 HE21 GLN A 146 4.006 0.776 6.286 1.00 10.49 H new ATOM 0 HE22 GLN A 146 2.444 0.361 5.574 1.00 10.49 H new ATOM 2168 N VAL A 147 8.108 3.965 2.271 1.00 5.45 N ATOM 2169 CA VAL A 147 8.368 5.168 1.498 1.00 4.76 C ATOM 2170 C VAL A 147 7.893 4.983 0.062 1.00 4.67 C ATOM 2171 O VAL A 147 8.019 3.896 -0.501 1.00 4.76 O ATOM 2172 CB VAL A 147 9.868 5.535 1.512 1.00 3.89 C ATOM 2173 CG1 VAL A 147 10.287 5.999 2.897 1.00 4.21 C ATOM 2174 CG2 VAL A 147 10.723 4.357 1.068 1.00 3.49 C ATOM 0 H VAL A 147 8.498 3.114 1.866 1.00 5.45 H new ATOM 0 HA VAL A 147 7.815 5.986 1.960 1.00 4.76 H new ATOM 0 HB VAL A 147 10.023 6.351 0.806 1.00 3.89 H new ATOM 0 HG11 VAL A 147 11.347 6.254 2.890 1.00 4.21 H new ATOM 0 HG12 VAL A 147 9.705 6.876 3.178 1.00 4.21 H new ATOM 0 HG13 VAL A 147 10.111 5.200 3.617 1.00 4.21 H new ATOM 0 HG21 VAL A 147 11.775 4.643 1.087 1.00 3.49 H new ATOM 0 HG22 VAL A 147 10.563 3.516 1.743 1.00 3.49 H new ATOM 0 HG23 VAL A 147 10.444 4.067 0.055 1.00 3.49 H new ATOM 2184 N VAL A 148 7.317 6.037 -0.507 1.00 4.95 N ATOM 2185 CA VAL A 148 6.797 5.988 -1.874 1.00 5.28 C ATOM 2186 C VAL A 148 7.931 5.811 -2.870 1.00 4.93 C ATOM 2187 O VAL A 148 8.869 6.602 -2.885 1.00 4.74 O ATOM 2188 CB VAL A 148 6.019 7.271 -2.236 1.00 6.08 C ATOM 2189 CG1 VAL A 148 5.462 7.186 -3.648 1.00 6.56 C ATOM 2190 CG2 VAL A 148 4.909 7.529 -1.233 1.00 6.56 C ATOM 0 H VAL A 148 7.197 6.938 -0.044 1.00 4.95 H new ATOM 0 HA VAL A 148 6.118 5.137 -1.924 1.00 5.28 H new ATOM 0 HB VAL A 148 6.713 8.110 -2.197 1.00 6.08 H new ATOM 0 HG11 VAL A 148 4.918 8.101 -3.880 1.00 6.56 H new ATOM 0 HG12 VAL A 148 6.282 7.062 -4.356 1.00 6.56 H new ATOM 0 HG13 VAL A 148 4.786 6.334 -3.722 1.00 6.56 H new ATOM 0 HG21 VAL A 148 4.374 8.438 -1.508 1.00 6.56 H new ATOM 0 HG22 VAL A 148 4.217 6.687 -1.232 1.00 6.56 H new ATOM 0 HG23 VAL A 148 5.338 7.647 -0.238 1.00 6.56 H new ATOM 2200 N VAL A 149 7.836 4.786 -3.705 1.00 5.25 N ATOM 2201 CA VAL A 149 8.923 4.451 -4.617 1.00 5.51 C ATOM 2202 C VAL A 149 8.518 4.606 -6.078 1.00 6.47 C ATOM 2203 O VAL A 149 9.377 4.705 -6.957 1.00 6.99 O ATOM 2204 CB VAL A 149 9.421 3.009 -4.380 1.00 5.65 C ATOM 2205 CG1 VAL A 149 9.623 2.773 -2.901 1.00 5.29 C ATOM 2206 CG2 VAL A 149 8.463 1.972 -4.950 1.00 6.22 C ATOM 0 H VAL A 149 7.022 4.174 -3.771 1.00 5.25 H new ATOM 0 HA VAL A 149 9.728 5.155 -4.407 1.00 5.51 H new ATOM 0 HB VAL A 149 10.371 2.897 -4.903 1.00 5.65 H new ATOM 0 HG11 VAL A 149 9.974 1.754 -2.740 1.00 5.29 H new ATOM 0 HG12 VAL A 149 10.362 3.477 -2.518 1.00 5.29 H new ATOM 0 HG13 VAL A 149 8.678 2.918 -2.377 1.00 5.29 H new ATOM 0 HG21 VAL A 149 8.854 0.972 -4.760 1.00 6.22 H new ATOM 0 HG22 VAL A 149 7.488 2.077 -4.474 1.00 6.22 H new ATOM 0 HG23 VAL A 149 8.360 2.123 -6.025 1.00 6.22 H new ATOM 2234 N GLN A 152 4.490 6.808 -10.562 1.00 8.97 N ATOM 2235 CA GLN A 152 4.390 6.713 -12.016 1.00 9.41 C ATOM 2236 C GLN A 152 3.760 7.975 -12.608 1.00 9.73 C ATOM 2237 O GLN A 152 2.807 7.916 -13.387 1.00 9.97 O ATOM 2238 CB GLN A 152 3.595 5.457 -12.403 1.00 10.01 C ATOM 2239 CG GLN A 152 3.659 5.118 -13.887 1.00 10.63 C ATOM 2240 CD GLN A 152 3.049 3.767 -14.211 1.00 11.38 C ATOM 2241 OE1 GLN A 152 2.061 3.352 -13.433 1.00 11.71 O flip ATOM 2242 NE2 GLN A 152 3.469 3.096 -15.158 1.00 11.84 N flip ATOM 0 HA GLN A 152 5.394 6.629 -12.432 1.00 9.41 H new ATOM 0 HB2 GLN A 152 3.972 4.610 -11.830 1.00 10.01 H new ATOM 0 HB3 GLN A 152 2.552 5.596 -12.117 1.00 10.01 H new ATOM 0 HG2 GLN A 152 3.140 5.891 -14.454 1.00 10.63 H new ATOM 0 HG3 GLN A 152 4.699 5.129 -14.212 1.00 10.63 H new ATOM 0 HE21 GLN A 152 4.232 3.450 -15.735 1.00 11.84 H new ATOM 0 HE22 GLN A 152 3.053 2.188 -15.364 1.00 11.84 H new ATOM 2251 N PHE A 153 4.322 9.123 -12.248 1.00 9.95 N ATOM 2252 CA PHE A 153 3.767 10.410 -12.646 1.00 10.47 C ATOM 2253 C PHE A 153 4.360 10.869 -13.972 1.00 10.93 C ATOM 2254 O PHE A 153 4.291 12.054 -14.310 1.00 11.34 O ATOM 2255 CB PHE A 153 4.041 11.467 -11.572 1.00 10.62 C ATOM 2256 CG PHE A 153 3.562 11.086 -10.199 1.00 11.04 C ATOM 2257 CD1 PHE A 153 2.209 11.061 -9.902 1.00 11.41 C ATOM 2258 CD2 PHE A 153 4.468 10.758 -9.202 1.00 11.27 C ATOM 2259 CE1 PHE A 153 1.770 10.718 -8.637 1.00 12.02 C ATOM 2260 CE2 PHE A 153 4.034 10.414 -7.937 1.00 11.87 C ATOM 2261 CZ PHE A 153 2.683 10.394 -7.654 1.00 12.24 C ATOM 0 H PHE A 153 5.166 9.188 -11.678 1.00 9.95 H new ATOM 0 HA PHE A 153 2.690 10.287 -12.764 1.00 10.47 H new ATOM 0 HB2 PHE A 153 5.113 11.658 -11.531 1.00 10.62 H new ATOM 0 HB3 PHE A 153 3.562 12.401 -11.866 1.00 10.62 H new ATOM 0 HD1 PHE A 153 1.489 11.312 -10.667 1.00 11.41 H new ATOM 0 HD2 PHE A 153 5.526 10.772 -9.417 1.00 11.27 H new ATOM 0 HE1 PHE A 153 0.713 10.704 -8.418 1.00 12.02 H new ATOM 0 HE2 PHE A 153 4.751 10.161 -7.170 1.00 11.87 H new ATOM 0 HZ PHE A 153 2.341 10.125 -6.665 1.00 12.24 H new ATOM 2271 N LEU A 154 4.941 9.916 -14.706 1.00 11.05 N ATOM 2272 CA LEU A 154 5.608 10.168 -15.986 1.00 11.63 C ATOM 2273 C LEU A 154 6.890 10.970 -15.757 1.00 11.39 C ATOM 2274 O LEU A 154 7.996 10.457 -15.942 1.00 11.57 O ATOM 2275 CB LEU A 154 4.664 10.882 -16.974 1.00 12.16 C ATOM 2276 CG LEU A 154 5.003 10.745 -18.471 1.00 12.68 C ATOM 2277 CD1 LEU A 154 6.261 11.519 -18.834 1.00 13.16 C ATOM 2278 CD2 LEU A 154 5.156 9.280 -18.854 1.00 13.04 C ATOM 0 H LEU A 154 4.962 8.936 -14.424 1.00 11.05 H new ATOM 0 HA LEU A 154 5.877 9.212 -16.435 1.00 11.63 H new ATOM 0 HB2 LEU A 154 3.655 10.502 -16.817 1.00 12.16 H new ATOM 0 HB3 LEU A 154 4.647 11.943 -16.724 1.00 12.16 H new ATOM 0 HG LEU A 154 4.174 11.172 -19.035 1.00 12.68 H new ATOM 0 HD11 LEU A 154 6.468 11.399 -19.897 1.00 13.16 H new ATOM 0 HD12 LEU A 154 6.115 12.576 -18.610 1.00 13.16 H new ATOM 0 HD13 LEU A 154 7.102 11.138 -18.255 1.00 13.16 H new ATOM 0 HD21 LEU A 154 5.395 9.204 -19.915 1.00 13.04 H new ATOM 0 HD22 LEU A 154 5.959 8.833 -18.268 1.00 13.04 H new ATOM 0 HD23 LEU A 154 4.224 8.752 -18.654 1.00 13.04 H new ATOM 2290 N ILE A 155 6.741 12.218 -15.341 1.00 11.17 N ATOM 2291 CA ILE A 155 7.882 13.055 -15.017 1.00 11.08 C ATOM 2292 C ILE A 155 8.103 13.041 -13.507 1.00 10.31 C ATOM 2293 O ILE A 155 7.765 13.996 -12.799 1.00 9.93 O ATOM 2294 CB ILE A 155 7.687 14.512 -15.495 1.00 11.39 C ATOM 2295 CG1 ILE A 155 7.237 14.540 -16.959 1.00 11.61 C ATOM 2296 CG2 ILE A 155 8.978 15.302 -15.328 1.00 11.66 C ATOM 2297 CD1 ILE A 155 6.972 15.932 -17.485 1.00 11.95 C ATOM 0 H ILE A 155 5.836 12.674 -15.220 1.00 11.17 H new ATOM 0 HA ILE A 155 8.752 12.651 -15.535 1.00 11.08 H new ATOM 0 HB ILE A 155 6.912 14.974 -14.883 1.00 11.39 H new ATOM 0 HG12 ILE A 155 8.003 14.068 -17.575 1.00 11.61 H new ATOM 0 HG13 ILE A 155 6.331 13.943 -17.063 1.00 11.61 H new ATOM 0 HG21 ILE A 155 8.825 16.326 -15.669 1.00 11.66 H new ATOM 0 HG22 ILE A 155 9.267 15.309 -14.277 1.00 11.66 H new ATOM 0 HG23 ILE A 155 9.768 14.837 -15.918 1.00 11.66 H new ATOM 0 HD11 ILE A 155 6.658 15.873 -18.527 1.00 11.95 H new ATOM 0 HD12 ILE A 155 6.185 16.400 -16.894 1.00 11.95 H new ATOM 0 HD13 ILE A 155 7.882 16.527 -17.414 1.00 11.95 H new ATOM 2309 N ASP A 156 8.662 11.945 -13.012 1.00 10.31 N ATOM 2310 CA ASP A 156 8.826 11.763 -11.576 1.00 9.81 C ATOM 2311 C ASP A 156 9.928 12.659 -11.032 1.00 9.63 C ATOM 2312 O ASP A 156 10.000 12.878 -9.821 1.00 9.09 O ATOM 2313 CB ASP A 156 9.111 10.302 -11.221 1.00 10.26 C ATOM 2314 CG ASP A 156 8.063 9.351 -11.764 1.00 10.68 C ATOM 2315 OD1 ASP A 156 6.912 9.390 -11.276 1.00 10.64 O1- ATOM 2316 OD2 ASP A 156 8.372 8.579 -12.694 1.00 11.22 O ATOM 0 H ASP A 156 9.008 11.172 -13.580 1.00 10.31 H new ATOM 0 HA ASP A 156 7.883 12.047 -11.108 1.00 9.81 H new ATOM 0 HB2 ASP A 156 10.088 10.021 -11.614 1.00 10.26 H new ATOM 0 HB3 ASP A 156 9.162 10.199 -10.137 1.00 10.26 H new ATOM 2321 N SER A 157 10.787 13.181 -11.890 1.00 10.26 N ATOM 2322 CA SER A 157 11.799 14.114 -11.426 1.00 10.38 C ATOM 2323 C SER A 157 11.139 15.402 -10.946 1.00 9.63 C ATOM 2324 O SER A 157 11.403 15.859 -9.826 1.00 9.37 O ATOM 2325 CB SER A 157 12.826 14.408 -12.521 1.00 11.42 C ATOM 2326 OG SER A 157 13.440 13.213 -12.972 1.00 11.90 O ATOM 0 H SER A 157 10.806 12.981 -12.890 1.00 10.26 H new ATOM 0 HA SER A 157 12.330 13.657 -10.591 1.00 10.38 H new ATOM 0 HB2 SER A 157 12.339 14.909 -13.357 1.00 11.42 H new ATOM 0 HB3 SER A 157 13.586 15.090 -12.139 1.00 11.42 H new ATOM 0 HG SER A 157 14.092 13.424 -13.673 1.00 11.90 H new ATOM 2332 N GLU A 158 10.241 15.952 -11.749 1.00 9.47 N ATOM 2333 CA GLU A 158 9.536 17.161 -11.355 1.00 9.00 C ATOM 2334 C GLU A 158 8.486 16.848 -10.295 1.00 8.03 C ATOM 2335 O GLU A 158 8.089 17.739 -9.549 1.00 7.69 O ATOM 2336 CB GLU A 158 8.908 17.865 -12.556 1.00 9.38 C ATOM 2337 CG GLU A 158 9.929 18.313 -13.585 1.00 10.19 C ATOM 2338 CD GLU A 158 9.336 19.209 -14.650 1.00 10.79 C ATOM 2339 OE1 GLU A 158 9.204 20.427 -14.404 1.00 11.17 O1- ATOM 2340 OE2 GLU A 158 8.978 18.689 -15.730 1.00 11.06 O ATOM 0 H GLU A 158 9.986 15.586 -12.666 1.00 9.47 H new ATOM 0 HA GLU A 158 10.267 17.845 -10.925 1.00 9.00 H new ATOM 0 HB2 GLU A 158 8.194 17.193 -13.031 1.00 9.38 H new ATOM 0 HB3 GLU A 158 8.347 18.732 -12.208 1.00 9.38 H new ATOM 0 HG2 GLU A 158 10.738 18.842 -13.081 1.00 10.19 H new ATOM 0 HG3 GLU A 158 10.369 17.436 -14.059 1.00 10.19 H new ATOM 2347 N ALA A 159 8.042 15.602 -10.209 1.00 7.82 N ATOM 2348 CA ALA A 159 7.114 15.215 -9.149 1.00 7.20 C ATOM 2349 C ALA A 159 7.698 15.577 -7.782 1.00 7.12 C ATOM 2350 O ALA A 159 7.010 16.117 -6.915 1.00 6.81 O ATOM 2351 CB ALA A 159 6.798 13.730 -9.224 1.00 7.44 C ATOM 0 H ALA A 159 8.302 14.851 -10.848 1.00 7.82 H new ATOM 0 HA ALA A 159 6.182 15.763 -9.286 1.00 7.20 H new ATOM 0 HB1 ALA A 159 6.105 13.465 -8.425 1.00 7.44 H new ATOM 0 HB2 ALA A 159 6.344 13.503 -10.189 1.00 7.44 H new ATOM 0 HB3 ALA A 159 7.718 13.156 -9.112 1.00 7.44 H new ATOM 2357 N SER A 160 8.990 15.314 -7.631 1.00 7.72 N ATOM 2358 CA SER A 160 9.721 15.635 -6.412 1.00 8.04 C ATOM 2359 C SER A 160 9.775 17.148 -6.171 1.00 7.99 C ATOM 2360 O SER A 160 9.824 17.607 -5.026 1.00 8.08 O ATOM 2361 CB SER A 160 11.140 15.070 -6.521 1.00 8.99 C ATOM 2362 OG SER A 160 11.958 15.490 -5.444 1.00 9.64 O ATOM 0 H SER A 160 9.561 14.872 -8.351 1.00 7.72 H new ATOM 0 HA SER A 160 9.202 15.186 -5.565 1.00 8.04 H new ATOM 0 HB2 SER A 160 11.097 13.981 -6.541 1.00 8.99 H new ATOM 0 HB3 SER A 160 11.587 15.389 -7.463 1.00 8.99 H new ATOM 0 HG SER A 160 12.890 15.544 -5.743 1.00 9.64 H new ATOM 2368 N LEU A 161 9.760 17.910 -7.259 1.00 8.10 N ATOM 2369 CA LEU A 161 9.922 19.355 -7.199 1.00 8.40 C ATOM 2370 C LEU A 161 8.590 20.053 -6.938 1.00 7.89 C ATOM 2371 O LEU A 161 8.541 21.101 -6.290 1.00 8.18 O ATOM 2372 CB LEU A 161 10.512 19.852 -8.516 1.00 9.04 C ATOM 2373 CG LEU A 161 11.835 19.203 -8.933 1.00 9.80 C ATOM 2374 CD1 LEU A 161 12.324 19.794 -10.244 1.00 10.57 C ATOM 2375 CD2 LEU A 161 12.886 19.374 -7.847 1.00 10.37 C ATOM 0 H LEU A 161 9.636 17.544 -8.203 1.00 8.10 H new ATOM 0 HA LEU A 161 10.594 19.591 -6.374 1.00 8.40 H new ATOM 0 HB2 LEU A 161 9.781 19.686 -9.307 1.00 9.04 H new ATOM 0 HB3 LEU A 161 10.663 20.929 -8.443 1.00 9.04 H new ATOM 0 HG LEU A 161 11.663 18.136 -9.075 1.00 9.80 H new ATOM 0 HD11 LEU A 161 13.265 19.323 -10.527 1.00 10.57 H new ATOM 0 HD12 LEU A 161 11.581 19.618 -11.022 1.00 10.57 H new ATOM 0 HD13 LEU A 161 12.477 20.867 -10.125 1.00 10.57 H new ATOM 0 HD21 LEU A 161 13.817 18.905 -8.165 1.00 10.37 H new ATOM 0 HD22 LEU A 161 13.056 20.436 -7.669 1.00 10.37 H new ATOM 0 HD23 LEU A 161 12.539 18.904 -6.927 1.00 10.37 H new ATOM 2387 N ARG A 162 7.518 19.473 -7.465 1.00 7.38 N ATOM 2388 CA ARG A 162 6.188 20.030 -7.319 1.00 7.17 C ATOM 2389 C ARG A 162 5.631 19.738 -5.930 1.00 6.87 C ATOM 2390 O ARG A 162 6.114 18.847 -5.232 1.00 6.95 O ATOM 2391 CB ARG A 162 5.261 19.454 -8.389 1.00 7.15 C ATOM 2392 CG ARG A 162 4.914 17.996 -8.163 1.00 7.34 C ATOM 2393 CD ARG A 162 4.097 17.416 -9.306 1.00 7.40 C ATOM 2394 NE ARG A 162 2.769 18.025 -9.419 1.00 7.84 N ATOM 2395 CZ ARG A 162 1.659 17.339 -9.694 1.00 8.24 C ATOM 2396 NH1 ARG A 162 1.703 16.018 -9.850 1.00 8.25 N1+ ATOM 2397 NH2 ARG A 162 0.501 17.973 -9.810 1.00 8.90 N ATOM 0 H ARG A 162 7.551 18.607 -8.003 1.00 7.38 H new ATOM 0 HA ARG A 162 6.249 21.111 -7.444 1.00 7.17 H new ATOM 0 HB2 ARG A 162 4.342 20.039 -8.416 1.00 7.15 H new ATOM 0 HB3 ARG A 162 5.735 19.560 -9.365 1.00 7.15 H new ATOM 0 HG2 ARG A 162 5.832 17.420 -8.046 1.00 7.34 H new ATOM 0 HG3 ARG A 162 4.355 17.897 -7.233 1.00 7.34 H new ATOM 0 HD2 ARG A 162 4.638 17.558 -10.242 1.00 7.40 H new ATOM 0 HD3 ARG A 162 3.988 16.341 -9.160 1.00 7.40 H new ATOM 0 HE ARG A 162 2.689 19.032 -9.279 1.00 7.84 H new ATOM 0 HH11 ARG A 162 2.590 15.523 -9.759 1.00 8.25 H new ATOM 0 HH12 ARG A 162 0.849 15.501 -10.060 1.00 8.25 H new ATOM 0 HH21 ARG A 162 0.459 18.985 -9.689 1.00 8.90 H new ATOM 0 HH22 ARG A 162 -0.348 17.449 -10.020 1.00 8.90 H new ATOM 2411 N GLY A 163 4.613 20.486 -5.544 1.00 6.89 N ATOM 2412 CA GLY A 163 4.006 20.304 -4.244 1.00 7.01 C ATOM 2413 C GLY A 163 2.844 21.245 -4.044 1.00 6.68 C ATOM 2414 O GLY A 163 2.824 22.024 -3.091 1.00 7.15 O ATOM 0 H GLY A 163 4.193 21.222 -6.112 1.00 6.89 H new ATOM 0 HA2 GLY A 163 3.664 19.274 -4.141 1.00 7.01 H new ATOM 0 HA3 GLY A 163 4.751 20.472 -3.466 1.00 7.01 H new ATOM 2418 N THR A 164 1.872 21.161 -4.952 1.00 6.17 N ATOM 2419 CA THR A 164 0.711 22.050 -4.963 1.00 6.16 C ATOM 2420 C THR A 164 1.121 23.515 -4.829 1.00 6.65 C ATOM 2421 O THR A 164 0.669 24.214 -3.923 1.00 7.09 O ATOM 2422 CB THR A 164 -0.324 21.684 -3.866 1.00 6.38 C ATOM 2423 OG1 THR A 164 0.308 21.516 -2.588 1.00 6.86 O ATOM 2424 CG2 THR A 164 -1.068 20.412 -4.233 1.00 6.23 C ATOM 0 H THR A 164 1.868 20.471 -5.704 1.00 6.17 H new ATOM 0 HA THR A 164 0.233 21.910 -5.933 1.00 6.16 H new ATOM 0 HB THR A 164 -1.033 22.509 -3.799 1.00 6.38 H new ATOM 0 HG1 THR A 164 1.157 22.006 -2.576 1.00 6.86 H new ATOM 0 HG21 THR A 164 -1.789 20.173 -3.451 1.00 6.23 H new ATOM 0 HG22 THR A 164 -1.592 20.557 -5.177 1.00 6.23 H new ATOM 0 HG23 THR A 164 -0.358 19.591 -4.335 1.00 6.23 H new ATOM 2432 N VAL A 165 1.970 23.967 -5.756 1.00 6.89 N ATOM 2433 CA VAL A 165 2.542 25.312 -5.711 1.00 7.69 C ATOM 2434 C VAL A 165 3.433 25.455 -4.480 1.00 7.93 C ATOM 2435 O VAL A 165 2.958 25.751 -3.379 1.00 8.39 O ATOM 2436 CB VAL A 165 1.459 26.421 -5.713 1.00 8.39 C ATOM 2437 CG1 VAL A 165 2.099 27.801 -5.717 1.00 9.20 C ATOM 2438 CG2 VAL A 165 0.532 26.264 -6.910 1.00 8.56 C ATOM 0 H VAL A 165 2.278 23.412 -6.555 1.00 6.89 H new ATOM 0 HA VAL A 165 3.134 25.441 -6.617 1.00 7.69 H new ATOM 0 HB VAL A 165 0.869 26.319 -4.802 1.00 8.39 H new ATOM 0 HG11 VAL A 165 1.320 28.563 -5.718 1.00 9.20 H new ATOM 0 HG12 VAL A 165 2.719 27.917 -4.828 1.00 9.20 H new ATOM 0 HG13 VAL A 165 2.717 27.913 -6.608 1.00 9.20 H new ATOM 0 HG21 VAL A 165 -0.221 27.052 -6.893 1.00 8.56 H new ATOM 0 HG22 VAL A 165 1.111 26.335 -7.831 1.00 8.56 H new ATOM 0 HG23 VAL A 165 0.041 25.292 -6.865 1.00 8.56 H new ATOM 2448 N ALA A 166 4.727 25.230 -4.674 1.00 7.88 N ATOM 2449 CA ALA A 166 5.674 25.218 -3.569 1.00 8.33 C ATOM 2450 C ALA A 166 5.920 26.619 -3.018 1.00 8.94 C ATOM 2451 O ALA A 166 5.282 27.585 -3.442 1.00 9.11 O ATOM 2452 CB ALA A 166 6.981 24.573 -3.996 1.00 8.31 C ATOM 0 H ALA A 166 5.144 25.053 -5.588 1.00 7.88 H new ATOM 0 HA ALA A 166 5.235 24.625 -2.766 1.00 8.33 H new ATOM 0 HB1 ALA A 166 7.677 24.573 -3.158 1.00 8.31 H new ATOM 0 HB2 ALA A 166 6.794 23.547 -4.313 1.00 8.31 H new ATOM 0 HB3 ALA A 166 7.411 25.136 -4.824 1.00 8.31 H new