USER MOD reduce.3.24.130724 H: found=0, std=0, add=305, rem=0, adj=3 USER MOD reduce.3.24.130724 removed 305 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 CYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 GLN : amide:sc= -0.0174 X(o=-0.017,f=0) USER MOD Single : A 14 MET CE :methyl 136:sc= -5.42! (180deg=-8.54!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl -161:sc= -0.21 (180deg=-0.99) USER MOD Single : A 24 GLN : amide:sc= -16! C(o=-16!,f=-33!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N CYS A 1 -15.334 -2.321 -2.860 1.00 0.00 N ATOM 2 CA CYS A 1 -14.469 -1.123 -3.041 1.00 0.00 C ATOM 3 C CYS A 1 -13.693 -0.803 -1.765 1.00 0.00 C ATOM 4 O CYS A 1 -13.687 0.337 -1.300 1.00 0.00 O ATOM 5 CB CYS A 1 -15.357 0.060 -3.437 1.00 0.00 C ATOM 6 SG CYS A 1 -14.680 1.084 -4.784 1.00 0.00 S ATOM 0 H1 CYS A 1 -15.849 -2.514 -3.743 1.00 0.00 H new ATOM 0 H2 CYS A 1 -14.744 -3.142 -2.617 1.00 0.00 H new ATOM 0 H3 CYS A 1 -16.015 -2.145 -2.094 1.00 0.00 H new ATOM 0 HA CYS A 1 -13.737 -1.322 -3.824 1.00 0.00 H new ATOM 0 HB2 CYS A 1 -16.334 -0.318 -3.739 1.00 0.00 H new ATOM 0 HB3 CYS A 1 -15.516 0.690 -2.562 1.00 0.00 H new ATOM 13 N TRP A 2 -13.039 -1.815 -1.200 1.00 0.00 N ATOM 14 CA TRP A 2 -12.265 -1.628 0.026 1.00 0.00 C ATOM 15 C TRP A 2 -11.048 -2.554 0.071 1.00 0.00 C ATOM 16 O TRP A 2 -10.728 -3.122 1.116 1.00 0.00 O ATOM 17 CB TRP A 2 -13.140 -1.851 1.268 1.00 0.00 C ATOM 18 CG TRP A 2 -14.315 -2.751 1.032 1.00 0.00 C ATOM 19 CD1 TRP A 2 -14.296 -4.002 0.483 1.00 0.00 C ATOM 20 CD2 TRP A 2 -15.685 -2.467 1.338 1.00 0.00 C ATOM 21 NE1 TRP A 2 -15.571 -4.512 0.431 1.00 0.00 N ATOM 22 CE2 TRP A 2 -16.440 -3.588 0.949 1.00 0.00 C ATOM 23 CE3 TRP A 2 -16.346 -1.372 1.905 1.00 0.00 C ATOM 24 CZ2 TRP A 2 -17.822 -3.646 1.110 1.00 0.00 C ATOM 25 CZ3 TRP A 2 -17.718 -1.431 2.063 1.00 0.00 C ATOM 26 CH2 TRP A 2 -18.443 -2.561 1.667 1.00 0.00 C ATOM 0 H TRP A 2 -13.029 -2.766 -1.568 1.00 0.00 H new ATOM 0 HA TRP A 2 -11.909 -0.598 0.026 1.00 0.00 H new ATOM 0 HB2 TRP A 2 -12.525 -2.274 2.062 1.00 0.00 H new ATOM 0 HB3 TRP A 2 -13.500 -0.886 1.624 1.00 0.00 H new ATOM 0 HD1 TRP A 2 -13.409 -4.515 0.140 1.00 0.00 H new ATOM 0 HE1 TRP A 2 -15.828 -5.429 0.066 1.00 0.00 H new ATOM 0 HE3 TRP A 2 -15.794 -0.496 2.214 1.00 0.00 H new ATOM 0 HZ2 TRP A 2 -18.384 -4.517 0.806 1.00 0.00 H new ATOM 0 HZ3 TRP A 2 -18.239 -0.592 2.499 1.00 0.00 H new ATOM 0 HH2 TRP A 2 -19.514 -2.577 1.804 1.00 0.00 H new ATOM 37 N LEU A 3 -10.360 -2.684 -1.059 1.00 0.00 N ATOM 38 CA LEU A 3 -9.164 -3.524 -1.133 1.00 0.00 C ATOM 39 C LEU A 3 -7.917 -2.710 -0.787 1.00 0.00 C ATOM 40 O LEU A 3 -6.798 -3.224 -0.824 1.00 0.00 O ATOM 41 CB LEU A 3 -9.000 -4.142 -2.531 1.00 0.00 C ATOM 42 CG LEU A 3 -10.211 -4.031 -3.463 1.00 0.00 C ATOM 43 CD1 LEU A 3 -9.810 -4.361 -4.893 1.00 0.00 C ATOM 44 CD2 LEU A 3 -11.327 -4.948 -2.993 1.00 0.00 C ATOM 0 H LEU A 3 -10.607 -2.222 -1.934 1.00 0.00 H new ATOM 0 HA LEU A 3 -9.284 -4.330 -0.409 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -8.148 -3.668 -3.018 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -8.753 -5.197 -2.413 1.00 0.00 H new ATOM 0 HG LEU A 3 -10.578 -3.005 -3.437 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -10.681 -4.278 -5.543 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -9.041 -3.664 -5.225 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -9.421 -5.378 -4.936 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -12.180 -4.857 -3.666 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -10.974 -5.979 -2.991 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -11.629 -4.666 -1.984 1.00 0.00 H new ATOM 56 N CYS A 4 -8.122 -1.430 -0.478 1.00 0.00 N ATOM 57 CA CYS A 4 -7.035 -0.507 -0.152 1.00 0.00 C ATOM 58 C CYS A 4 -5.918 -1.169 0.666 1.00 0.00 C ATOM 59 O CYS A 4 -4.909 -1.601 0.107 1.00 0.00 O ATOM 60 CB CYS A 4 -7.635 0.669 0.617 1.00 0.00 C ATOM 61 SG CYS A 4 -7.157 2.279 -0.040 1.00 0.00 S ATOM 0 H CYS A 4 -9.048 -1.003 -0.447 1.00 0.00 H new ATOM 0 HA CYS A 4 -6.570 -0.173 -1.080 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -8.722 0.587 0.600 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -7.327 0.605 1.661 1.00 0.00 H new ATOM 66 N ARG A 5 -6.100 -1.256 1.984 1.00 0.00 N ATOM 67 CA ARG A 5 -5.101 -1.879 2.864 1.00 0.00 C ATOM 68 C ARG A 5 -4.527 -3.168 2.250 1.00 0.00 C ATOM 69 O ARG A 5 -3.393 -3.567 2.542 1.00 0.00 O ATOM 70 CB ARG A 5 -5.714 -2.181 4.240 1.00 0.00 C ATOM 71 CG ARG A 5 -7.161 -2.655 4.194 1.00 0.00 C ATOM 72 CD ARG A 5 -7.264 -4.144 3.898 1.00 0.00 C ATOM 73 NE ARG A 5 -8.493 -4.464 3.173 1.00 0.00 N ATOM 74 CZ ARG A 5 -9.046 -5.676 3.134 1.00 0.00 C ATOM 75 NH1 ARG A 5 -8.481 -6.696 3.768 1.00 0.00 N ATOM 76 NH2 ARG A 5 -10.170 -5.868 2.456 1.00 0.00 N ATOM 0 H ARG A 5 -6.926 -0.905 2.468 1.00 0.00 H new ATOM 0 HA ARG A 5 -4.282 -1.170 2.983 1.00 0.00 H new ATOM 0 HB2 ARG A 5 -5.111 -2.943 4.734 1.00 0.00 H new ATOM 0 HB3 ARG A 5 -5.658 -1.282 4.854 1.00 0.00 H new ATOM 0 HG2 ARG A 5 -7.643 -2.441 5.148 1.00 0.00 H new ATOM 0 HG3 ARG A 5 -7.702 -2.095 3.431 1.00 0.00 H new ATOM 0 HD2 ARG A 5 -6.402 -4.459 3.311 1.00 0.00 H new ATOM 0 HD3 ARG A 5 -7.236 -4.704 4.833 1.00 0.00 H new ATOM 0 HE ARG A 5 -8.957 -3.711 2.664 1.00 0.00 H new ATOM 0 HH11 ARG A 5 -7.616 -6.556 4.291 1.00 0.00 H new ATOM 0 HH12 ARG A 5 -8.911 -7.620 3.733 1.00 0.00 H new ATOM 0 HH21 ARG A 5 -10.609 -5.089 1.966 1.00 0.00 H new ATOM 0 HH22 ARG A 5 -10.595 -6.795 2.425 1.00 0.00 H new ATOM 90 N ALA A 6 -5.314 -3.822 1.403 1.00 0.00 N ATOM 91 CA ALA A 6 -4.884 -5.059 0.763 1.00 0.00 C ATOM 92 C ALA A 6 -3.784 -4.828 -0.277 1.00 0.00 C ATOM 93 O ALA A 6 -2.882 -5.657 -0.427 1.00 0.00 O ATOM 94 CB ALA A 6 -6.075 -5.758 0.122 1.00 0.00 C ATOM 0 H ALA A 6 -6.252 -3.516 1.144 1.00 0.00 H new ATOM 0 HA ALA A 6 -4.462 -5.695 1.541 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -5.743 -6.681 -0.353 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -6.816 -5.990 0.887 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -6.521 -5.104 -0.628 1.00 0.00 H new ATOM 100 N LEU A 7 -3.854 -3.708 -0.994 1.00 0.00 N ATOM 101 CA LEU A 7 -2.857 -3.405 -2.013 1.00 0.00 C ATOM 102 C LEU A 7 -1.551 -2.967 -1.371 1.00 0.00 C ATOM 103 O LEU A 7 -0.470 -3.265 -1.876 1.00 0.00 O ATOM 104 CB LEU A 7 -3.379 -2.324 -2.978 1.00 0.00 C ATOM 105 CG LEU A 7 -2.697 -0.948 -2.892 1.00 0.00 C ATOM 106 CD1 LEU A 7 -2.752 -0.233 -4.234 1.00 0.00 C ATOM 107 CD2 LEU A 7 -3.349 -0.103 -1.813 1.00 0.00 C ATOM 0 H LEU A 7 -4.584 -3.003 -0.888 1.00 0.00 H new ATOM 0 HA LEU A 7 -2.667 -4.312 -2.587 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -3.273 -2.695 -3.997 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -4.445 -2.189 -2.797 1.00 0.00 H new ATOM 0 HG LEU A 7 -1.650 -1.100 -2.631 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -2.264 0.738 -4.149 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -2.240 -0.832 -4.987 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -3.792 -0.092 -4.529 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -2.856 0.868 -1.764 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -4.404 0.037 -2.049 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -3.256 -0.606 -0.851 1.00 0.00 H new ATOM 119 N ILE A 8 -1.654 -2.259 -0.255 1.00 0.00 N ATOM 120 CA ILE A 8 -0.474 -1.787 0.435 1.00 0.00 C ATOM 121 C ILE A 8 0.290 -2.953 1.016 1.00 0.00 C ATOM 122 O ILE A 8 1.504 -2.897 1.205 1.00 0.00 O ATOM 123 CB ILE A 8 -0.822 -0.781 1.545 1.00 0.00 C ATOM 124 CG1 ILE A 8 -1.719 -1.428 2.600 1.00 0.00 C ATOM 125 CG2 ILE A 8 -1.500 0.437 0.940 1.00 0.00 C ATOM 126 CD1 ILE A 8 -1.910 -0.582 3.841 1.00 0.00 C ATOM 0 H ILE A 8 -2.538 -2.003 0.185 1.00 0.00 H new ATOM 0 HA ILE A 8 0.149 -1.271 -0.296 1.00 0.00 H new ATOM 0 HB ILE A 8 0.099 -0.466 2.036 1.00 0.00 H new ATOM 0 HG12 ILE A 8 -2.694 -1.634 2.158 1.00 0.00 H new ATOM 0 HG13 ILE A 8 -1.291 -2.388 2.888 1.00 0.00 H new ATOM 0 HG21 ILE A 8 -1.745 1.147 1.730 1.00 0.00 H new ATOM 0 HG22 ILE A 8 -0.828 0.909 0.223 1.00 0.00 H new ATOM 0 HG23 ILE A 8 -2.414 0.130 0.432 1.00 0.00 H new ATOM 0 HD11 ILE A 8 -2.558 -1.107 4.543 1.00 0.00 H new ATOM 0 HD12 ILE A 8 -0.943 -0.398 4.308 1.00 0.00 H new ATOM 0 HD13 ILE A 8 -2.367 0.369 3.567 1.00 0.00 H new ATOM 138 N LYS A 9 -0.434 -4.022 1.287 1.00 0.00 N ATOM 139 CA LYS A 9 0.169 -5.215 1.830 1.00 0.00 C ATOM 140 C LYS A 9 1.003 -5.908 0.781 1.00 0.00 C ATOM 141 O LYS A 9 2.138 -6.314 1.032 1.00 0.00 O ATOM 142 CB LYS A 9 -0.902 -6.145 2.340 1.00 0.00 C ATOM 143 CG LYS A 9 -0.459 -6.982 3.520 1.00 0.00 C ATOM 144 CD LYS A 9 -1.093 -6.498 4.822 1.00 0.00 C ATOM 145 CE LYS A 9 -0.958 -4.986 4.996 1.00 0.00 C ATOM 146 NZ LYS A 9 -0.515 -4.624 6.371 1.00 0.00 N ATOM 0 H LYS A 9 -1.441 -4.085 1.138 1.00 0.00 H new ATOM 0 HA LYS A 9 0.819 -4.933 2.658 1.00 0.00 H new ATOM 0 HB2 LYS A 9 -1.775 -5.559 2.627 1.00 0.00 H new ATOM 0 HB3 LYS A 9 -1.214 -6.806 1.532 1.00 0.00 H new ATOM 0 HG2 LYS A 9 -0.728 -8.024 3.349 1.00 0.00 H new ATOM 0 HG3 LYS A 9 0.627 -6.943 3.607 1.00 0.00 H new ATOM 0 HD2 LYS A 9 -2.148 -6.772 4.835 1.00 0.00 H new ATOM 0 HD3 LYS A 9 -0.622 -7.004 5.665 1.00 0.00 H new ATOM 0 HE2 LYS A 9 -0.243 -4.599 4.270 1.00 0.00 H new ATOM 0 HE3 LYS A 9 -1.915 -4.509 4.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 -0.435 -3.590 6.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 -1.210 -4.971 7.062 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 0.410 -5.058 6.563 1.00 0.00 H new ATOM 160 N ARG A 10 0.456 -6.003 -0.417 1.00 0.00 N ATOM 161 CA ARG A 10 1.186 -6.602 -1.511 1.00 0.00 C ATOM 162 C ARG A 10 2.489 -5.843 -1.652 1.00 0.00 C ATOM 163 O ARG A 10 3.530 -6.390 -2.028 1.00 0.00 O ATOM 164 CB ARG A 10 0.380 -6.538 -2.805 1.00 0.00 C ATOM 165 CG ARG A 10 -1.007 -7.133 -2.676 1.00 0.00 C ATOM 166 CD ARG A 10 -0.941 -8.573 -2.202 1.00 0.00 C ATOM 167 NE ARG A 10 -0.640 -8.677 -0.778 1.00 0.00 N ATOM 168 CZ ARG A 10 -0.022 -9.719 -0.225 1.00 0.00 C ATOM 169 NH1 ARG A 10 0.375 -10.742 -0.974 1.00 0.00 N ATOM 170 NH2 ARG A 10 0.201 -9.734 1.082 1.00 0.00 N ATOM 0 H ARG A 10 -0.481 -5.676 -0.653 1.00 0.00 H new ATOM 0 HA ARG A 10 1.376 -7.656 -1.308 1.00 0.00 H new ATOM 0 HB2 ARG A 10 0.294 -5.498 -3.120 1.00 0.00 H new ATOM 0 HB3 ARG A 10 0.923 -7.065 -3.590 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -1.596 -6.542 -1.974 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -1.517 -7.086 -3.638 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -1.893 -9.064 -2.406 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -0.179 -9.105 -2.771 1.00 0.00 H new ATOM 0 HE ARG A 10 -0.919 -7.907 -0.171 1.00 0.00 H new ATOM 0 HH11 ARG A 10 0.207 -10.733 -1.980 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.848 -11.536 -0.543 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -0.100 -8.949 1.660 1.00 0.00 H new ATOM 0 HH22 ARG A 10 0.674 -10.530 1.510 1.00 0.00 H new ATOM 184 N ILE A 11 2.414 -4.566 -1.285 1.00 0.00 N ATOM 185 CA ILE A 11 3.566 -3.704 -1.304 1.00 0.00 C ATOM 186 C ILE A 11 4.607 -4.242 -0.338 1.00 0.00 C ATOM 187 O ILE A 11 5.787 -4.316 -0.666 1.00 0.00 O ATOM 188 CB ILE A 11 3.201 -2.250 -0.925 1.00 0.00 C ATOM 189 CG1 ILE A 11 3.411 -1.321 -2.123 1.00 0.00 C ATOM 190 CG2 ILE A 11 4.010 -1.775 0.279 1.00 0.00 C ATOM 191 CD1 ILE A 11 2.368 -1.491 -3.207 1.00 0.00 C ATOM 0 H ILE A 11 1.555 -4.114 -0.971 1.00 0.00 H new ATOM 0 HA ILE A 11 3.964 -3.689 -2.319 1.00 0.00 H new ATOM 0 HB ILE A 11 2.148 -2.224 -0.646 1.00 0.00 H new ATOM 0 HG12 ILE A 11 3.400 -0.287 -1.778 1.00 0.00 H new ATOM 0 HG13 ILE A 11 4.398 -1.505 -2.547 1.00 0.00 H new ATOM 0 HG21 ILE A 11 3.732 -0.750 0.522 1.00 0.00 H new ATOM 0 HG22 ILE A 11 3.803 -2.420 1.133 1.00 0.00 H new ATOM 0 HG23 ILE A 11 5.073 -1.816 0.042 1.00 0.00 H new ATOM 0 HD11 ILE A 11 2.578 -0.802 -4.025 1.00 0.00 H new ATOM 0 HD12 ILE A 11 2.394 -2.515 -3.579 1.00 0.00 H new ATOM 0 HD13 ILE A 11 1.380 -1.278 -2.798 1.00 0.00 H new ATOM 203 N GLN A 12 4.167 -4.647 0.860 1.00 0.00 N ATOM 204 CA GLN A 12 5.107 -5.193 1.828 1.00 0.00 C ATOM 205 C GLN A 12 5.775 -6.429 1.244 1.00 0.00 C ATOM 206 O GLN A 12 6.875 -6.807 1.645 1.00 0.00 O ATOM 207 CB GLN A 12 4.419 -5.514 3.163 1.00 0.00 C ATOM 208 CG GLN A 12 3.634 -6.817 3.168 1.00 0.00 C ATOM 209 CD GLN A 12 4.092 -7.762 4.262 1.00 0.00 C ATOM 210 OE1 GLN A 12 3.351 -8.053 5.201 1.00 0.00 O ATOM 211 NE2 GLN A 12 5.326 -8.243 4.146 1.00 0.00 N ATOM 0 H GLN A 12 3.196 -4.607 1.170 1.00 0.00 H new ATOM 0 HA GLN A 12 5.868 -4.441 2.037 1.00 0.00 H new ATOM 0 HB2 GLN A 12 5.175 -5.557 3.947 1.00 0.00 H new ATOM 0 HB3 GLN A 12 3.744 -4.696 3.416 1.00 0.00 H new ATOM 0 HG2 GLN A 12 2.574 -6.599 3.300 1.00 0.00 H new ATOM 0 HG3 GLN A 12 3.741 -7.307 2.200 1.00 0.00 H new ATOM 0 HE21 GLN A 12 5.905 -7.975 3.351 1.00 0.00 H new ATOM 0 HE22 GLN A 12 5.693 -8.880 4.852 1.00 0.00 H new ATOM 220 N ALA A 13 5.111 -7.033 0.264 1.00 0.00 N ATOM 221 CA ALA A 13 5.655 -8.194 -0.403 1.00 0.00 C ATOM 222 C ALA A 13 6.817 -7.768 -1.280 1.00 0.00 C ATOM 223 O ALA A 13 7.784 -8.511 -1.464 1.00 0.00 O ATOM 224 CB ALA A 13 4.586 -8.894 -1.228 1.00 0.00 C ATOM 0 H ALA A 13 4.199 -6.733 -0.080 1.00 0.00 H new ATOM 0 HA ALA A 13 6.011 -8.902 0.345 1.00 0.00 H new ATOM 0 HB1 ALA A 13 5.019 -9.765 -1.721 1.00 0.00 H new ATOM 0 HB2 ALA A 13 3.773 -9.213 -0.575 1.00 0.00 H new ATOM 0 HB3 ALA A 13 4.199 -8.207 -1.980 1.00 0.00 H new ATOM 230 N MET A 14 6.717 -6.551 -1.804 1.00 0.00 N ATOM 231 CA MET A 14 7.765 -6.001 -2.648 1.00 0.00 C ATOM 232 C MET A 14 9.058 -5.858 -1.847 1.00 0.00 C ATOM 233 O MET A 14 10.135 -6.157 -2.356 1.00 0.00 O ATOM 234 CB MET A 14 7.328 -4.661 -3.278 1.00 0.00 C ATOM 235 CG MET A 14 7.588 -3.417 -2.431 1.00 0.00 C ATOM 236 SD MET A 14 8.507 -2.145 -3.320 1.00 0.00 S ATOM 237 CE MET A 14 8.228 -0.727 -2.260 1.00 0.00 C ATOM 0 H MET A 14 5.921 -5.930 -1.658 1.00 0.00 H new ATOM 0 HA MET A 14 7.951 -6.690 -3.472 1.00 0.00 H new ATOM 0 HB2 MET A 14 7.843 -4.543 -4.231 1.00 0.00 H new ATOM 0 HB3 MET A 14 6.261 -4.714 -3.496 1.00 0.00 H new ATOM 0 HG2 MET A 14 6.636 -3.005 -2.098 1.00 0.00 H new ATOM 0 HG3 MET A 14 8.143 -3.701 -1.537 1.00 0.00 H new ATOM 0 HE1 MET A 14 9.163 -0.183 -2.126 1.00 0.00 H new ATOM 0 HE2 MET A 14 7.488 -0.070 -2.718 1.00 0.00 H new ATOM 0 HE3 MET A 14 7.862 -1.064 -1.290 1.00 0.00 H new ATOM 247 N ILE A 15 8.935 -5.429 -0.581 1.00 0.00 N ATOM 248 CA ILE A 15 10.098 -5.279 0.307 1.00 0.00 C ATOM 249 C ILE A 15 9.757 -4.567 1.618 1.00 0.00 C ATOM 250 O ILE A 15 9.053 -3.557 1.627 1.00 0.00 O ATOM 251 CB ILE A 15 11.273 -4.515 -0.340 1.00 0.00 C ATOM 252 CG1 ILE A 15 10.782 -3.404 -1.273 1.00 0.00 C ATOM 253 CG2 ILE A 15 12.184 -5.482 -1.069 1.00 0.00 C ATOM 254 CD1 ILE A 15 10.171 -2.231 -0.538 1.00 0.00 C ATOM 0 H ILE A 15 8.044 -5.181 -0.150 1.00 0.00 H new ATOM 0 HA ILE A 15 10.400 -6.307 0.506 1.00 0.00 H new ATOM 0 HB ILE A 15 11.842 -4.032 0.455 1.00 0.00 H new ATOM 0 HG12 ILE A 15 11.618 -3.050 -1.876 1.00 0.00 H new ATOM 0 HG13 ILE A 15 10.044 -3.817 -1.961 1.00 0.00 H new ATOM 0 HG21 ILE A 15 13.010 -4.933 -1.522 1.00 0.00 H new ATOM 0 HG22 ILE A 15 12.578 -6.213 -0.363 1.00 0.00 H new ATOM 0 HG23 ILE A 15 11.620 -5.997 -1.847 1.00 0.00 H new ATOM 0 HD11 ILE A 15 9.844 -1.481 -1.258 1.00 0.00 H new ATOM 0 HD12 ILE A 15 9.315 -2.572 0.044 1.00 0.00 H new ATOM 0 HD13 ILE A 15 10.913 -1.794 0.130 1.00 0.00 H new ATOM 266 N PRO A 16 10.284 -5.082 2.748 1.00 0.00 N ATOM 267 CA PRO A 16 10.073 -4.497 4.070 1.00 0.00 C ATOM 268 C PRO A 16 11.134 -3.450 4.412 1.00 0.00 C ATOM 269 O PRO A 16 10.821 -2.382 4.937 1.00 0.00 O ATOM 270 CB PRO A 16 10.212 -5.707 4.984 1.00 0.00 C ATOM 271 CG PRO A 16 11.224 -6.576 4.308 1.00 0.00 C ATOM 272 CD PRO A 16 11.148 -6.274 2.826 1.00 0.00 C ATOM 0 HA PRO A 16 9.120 -3.974 4.153 1.00 0.00 H new ATOM 0 HB2 PRO A 16 10.543 -5.415 5.981 1.00 0.00 H new ATOM 0 HB3 PRO A 16 9.261 -6.225 5.103 1.00 0.00 H new ATOM 0 HG2 PRO A 16 12.224 -6.374 4.692 1.00 0.00 H new ATOM 0 HG3 PRO A 16 11.017 -7.629 4.498 1.00 0.00 H new ATOM 0 HD2 PRO A 16 12.135 -6.079 2.407 1.00 0.00 H new ATOM 0 HD3 PRO A 16 10.725 -7.110 2.269 1.00 0.00 H new ATOM 280 N LYS A 17 12.394 -3.769 4.108 1.00 0.00 N ATOM 281 CA LYS A 17 13.506 -2.864 4.379 1.00 0.00 C ATOM 282 C LYS A 17 13.432 -1.635 3.487 1.00 0.00 C ATOM 283 O LYS A 17 13.860 -0.545 3.872 1.00 0.00 O ATOM 284 CB LYS A 17 14.836 -3.587 4.162 1.00 0.00 C ATOM 285 CG LYS A 17 15.947 -3.110 5.082 1.00 0.00 C ATOM 286 CD LYS A 17 17.219 -3.915 4.878 1.00 0.00 C ATOM 287 CE LYS A 17 18.353 -3.398 5.747 1.00 0.00 C ATOM 288 NZ LYS A 17 18.539 -4.225 6.971 1.00 0.00 N ATOM 0 H LYS A 17 12.667 -4.650 3.673 1.00 0.00 H new ATOM 0 HA LYS A 17 13.439 -2.541 5.418 1.00 0.00 H new ATOM 0 HB2 LYS A 17 14.687 -4.656 4.311 1.00 0.00 H new ATOM 0 HB3 LYS A 17 15.149 -3.450 3.127 1.00 0.00 H new ATOM 0 HG2 LYS A 17 16.148 -2.055 4.895 1.00 0.00 H new ATOM 0 HG3 LYS A 17 15.624 -3.194 6.120 1.00 0.00 H new ATOM 0 HD2 LYS A 17 17.029 -4.962 5.112 1.00 0.00 H new ATOM 0 HD3 LYS A 17 17.514 -3.871 3.830 1.00 0.00 H new ATOM 0 HE2 LYS A 17 19.278 -3.391 5.170 1.00 0.00 H new ATOM 0 HE3 LYS A 17 18.149 -2.366 6.034 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 19.322 -3.838 7.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 17.665 -4.211 7.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 18.760 -5.204 6.698 1.00 0.00 H new ATOM 302 N GLY A 18 12.879 -1.817 2.298 1.00 0.00 N ATOM 303 CA GLY A 18 12.744 -0.716 1.365 1.00 0.00 C ATOM 304 C GLY A 18 11.901 0.407 1.937 1.00 0.00 C ATOM 305 O GLY A 18 10.907 0.153 2.617 1.00 0.00 O ATOM 0 H GLY A 18 12.520 -2.710 1.961 1.00 0.00 H new ATOM 0 HA2 GLY A 18 13.732 -0.334 1.108 1.00 0.00 H new ATOM 0 HA3 GLY A 18 12.291 -1.076 0.441 1.00 0.00 H new ATOM 309 N GLY A 19 12.297 1.649 1.675 1.00 0.00 N ATOM 310 CA GLY A 19 11.548 2.780 2.195 1.00 0.00 C ATOM 311 C GLY A 19 11.571 3.988 1.276 1.00 0.00 C ATOM 312 O GLY A 19 12.534 4.204 0.542 1.00 0.00 O ATOM 0 H GLY A 19 13.116 1.892 1.117 1.00 0.00 H new ATOM 0 HA2 GLY A 19 10.514 2.477 2.360 1.00 0.00 H new ATOM 0 HA3 GLY A 19 11.956 3.062 3.165 1.00 0.00 H new ATOM 316 N ARG A 20 10.499 4.782 1.330 1.00 0.00 N ATOM 317 CA ARG A 20 10.375 5.986 0.511 1.00 0.00 C ATOM 318 C ARG A 20 8.980 6.593 0.668 1.00 0.00 C ATOM 319 O ARG A 20 8.812 7.813 0.664 1.00 0.00 O ATOM 320 CB ARG A 20 10.645 5.663 -0.965 1.00 0.00 C ATOM 321 CG ARG A 20 12.049 6.029 -1.427 1.00 0.00 C ATOM 322 CD ARG A 20 12.036 6.624 -2.826 1.00 0.00 C ATOM 323 NE ARG A 20 13.332 7.188 -3.196 1.00 0.00 N ATOM 324 CZ ARG A 20 14.398 6.455 -3.514 1.00 0.00 C ATOM 325 NH1 ARG A 20 14.328 5.130 -3.505 1.00 0.00 N ATOM 326 NH2 ARG A 20 15.537 7.048 -3.841 1.00 0.00 N ATOM 0 H ARG A 20 9.699 4.609 1.939 1.00 0.00 H new ATOM 0 HA ARG A 20 11.115 6.710 0.850 1.00 0.00 H new ATOM 0 HB2 ARG A 20 10.485 4.597 -1.129 1.00 0.00 H new ATOM 0 HB3 ARG A 20 9.920 6.193 -1.582 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.488 6.743 -0.730 1.00 0.00 H new ATOM 0 HG3 ARG A 20 12.681 5.141 -1.414 1.00 0.00 H new ATOM 0 HD2 ARG A 20 11.758 5.853 -3.545 1.00 0.00 H new ATOM 0 HD3 ARG A 20 11.274 7.401 -2.882 1.00 0.00 H new ATOM 0 HE ARG A 20 13.426 8.204 -3.212 1.00 0.00 H new ATOM 0 HH11 ARG A 20 13.455 4.667 -3.254 1.00 0.00 H new ATOM 0 HH12 ARG A 20 15.148 4.574 -3.749 1.00 0.00 H new ATOM 0 HH21 ARG A 20 15.598 8.066 -3.849 1.00 0.00 H new ATOM 0 HH22 ARG A 20 16.353 6.486 -4.084 1.00 0.00 H new ATOM 340 N MET A 21 7.986 5.718 0.807 1.00 0.00 N ATOM 341 CA MET A 21 6.584 6.115 0.968 1.00 0.00 C ATOM 342 C MET A 21 5.687 4.925 0.651 1.00 0.00 C ATOM 343 O MET A 21 6.144 3.935 0.077 1.00 0.00 O ATOM 344 CB MET A 21 6.229 7.298 0.048 1.00 0.00 C ATOM 345 CG MET A 21 4.747 7.380 -0.318 1.00 0.00 C ATOM 346 SD MET A 21 4.353 8.793 -1.368 1.00 0.00 S ATOM 347 CE MET A 21 5.003 10.144 -0.390 1.00 0.00 C ATOM 0 H MET A 21 8.129 4.708 0.811 1.00 0.00 H new ATOM 0 HA MET A 21 6.430 6.435 1.999 1.00 0.00 H new ATOM 0 HB2 MET A 21 6.523 8.226 0.538 1.00 0.00 H new ATOM 0 HB3 MET A 21 6.815 7.221 -0.868 1.00 0.00 H new ATOM 0 HG2 MET A 21 4.454 6.463 -0.829 1.00 0.00 H new ATOM 0 HG3 MET A 21 4.156 7.438 0.596 1.00 0.00 H new ATOM 0 HE1 MET A 21 4.553 11.081 -0.719 1.00 0.00 H new ATOM 0 HE2 MET A 21 4.768 9.978 0.661 1.00 0.00 H new ATOM 0 HE3 MET A 21 6.084 10.197 -0.516 1.00 0.00 H new ATOM 357 N LEU A 22 4.409 5.017 1.011 1.00 0.00 N ATOM 358 CA LEU A 22 3.485 3.948 0.741 1.00 0.00 C ATOM 359 C LEU A 22 2.314 4.425 -0.104 1.00 0.00 C ATOM 360 O LEU A 22 2.115 5.620 -0.322 1.00 0.00 O ATOM 361 CB LEU A 22 2.937 3.369 2.029 1.00 0.00 C ATOM 362 CG LEU A 22 3.732 2.204 2.623 1.00 0.00 C ATOM 363 CD1 LEU A 22 4.101 2.489 4.072 1.00 0.00 C ATOM 364 CD2 LEU A 22 2.941 0.907 2.517 1.00 0.00 C ATOM 0 H LEU A 22 4.003 5.822 1.488 1.00 0.00 H new ATOM 0 HA LEU A 22 4.039 3.184 0.195 1.00 0.00 H new ATOM 0 HB2 LEU A 22 2.885 4.166 2.771 1.00 0.00 H new ATOM 0 HB3 LEU A 22 1.915 3.034 1.850 1.00 0.00 H new ATOM 0 HG LEU A 22 4.653 2.092 2.051 1.00 0.00 H new ATOM 0 HD11 LEU A 22 4.666 1.649 4.476 1.00 0.00 H new ATOM 0 HD12 LEU A 22 4.709 3.392 4.122 1.00 0.00 H new ATOM 0 HD13 LEU A 22 3.193 2.631 4.658 1.00 0.00 H new ATOM 0 HD21 LEU A 22 3.523 0.090 2.944 1.00 0.00 H new ATOM 0 HD22 LEU A 22 2.002 1.008 3.062 1.00 0.00 H new ATOM 0 HD23 LEU A 22 2.731 0.693 1.469 1.00 0.00 H new ATOM 376 N PRO A 23 1.521 3.465 -0.575 1.00 0.00 N ATOM 377 CA PRO A 23 0.354 3.701 -1.383 1.00 0.00 C ATOM 378 C PRO A 23 -0.912 3.832 -0.563 1.00 0.00 C ATOM 379 O PRO A 23 -1.900 4.367 -1.037 1.00 0.00 O ATOM 380 CB PRO A 23 0.287 2.450 -2.250 1.00 0.00 C ATOM 381 CG PRO A 23 1.099 1.402 -1.551 1.00 0.00 C ATOM 382 CD PRO A 23 1.703 2.043 -0.335 1.00 0.00 C ATOM 0 HA PRO A 23 0.426 4.636 -1.939 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -0.744 2.121 -2.377 1.00 0.00 H new ATOM 0 HB3 PRO A 23 0.683 2.647 -3.246 1.00 0.00 H new ATOM 0 HG2 PRO A 23 0.473 0.556 -1.268 1.00 0.00 H new ATOM 0 HG3 PRO A 23 1.878 1.017 -2.209 1.00 0.00 H new ATOM 0 HD2 PRO A 23 1.202 1.723 0.578 1.00 0.00 H new ATOM 0 HD3 PRO A 23 2.757 1.786 -0.227 1.00 0.00 H new ATOM 390 N GLN A 24 -0.876 3.322 0.661 1.00 0.00 N ATOM 391 CA GLN A 24 -2.043 3.359 1.546 1.00 0.00 C ATOM 392 C GLN A 24 -2.543 4.772 1.728 1.00 0.00 C ATOM 393 O GLN A 24 -3.659 4.980 2.194 1.00 0.00 O ATOM 394 CB GLN A 24 -1.767 2.705 2.917 1.00 0.00 C ATOM 395 CG GLN A 24 -0.301 2.620 3.314 1.00 0.00 C ATOM 396 CD GLN A 24 0.365 3.972 3.374 1.00 0.00 C ATOM 397 OE1 GLN A 24 0.521 4.637 2.355 1.00 0.00 O ATOM 398 NE2 GLN A 24 0.765 4.381 4.571 1.00 0.00 N ATOM 0 H GLN A 24 -0.053 2.877 1.068 1.00 0.00 H new ATOM 0 HA GLN A 24 -2.820 2.771 1.058 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -2.302 3.267 3.683 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -2.184 1.698 2.911 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -0.220 2.136 4.287 1.00 0.00 H new ATOM 0 HG3 GLN A 24 0.229 1.990 2.600 1.00 0.00 H new ATOM 0 HE21 GLN A 24 0.612 3.791 5.389 1.00 0.00 H new ATOM 0 HE22 GLN A 24 1.225 5.285 4.673 1.00 0.00 H new ATOM 407 N LEU A 25 -1.738 5.752 1.350 1.00 0.00 N ATOM 408 CA LEU A 25 -2.189 7.133 1.489 1.00 0.00 C ATOM 409 C LEU A 25 -3.012 7.560 0.282 1.00 0.00 C ATOM 410 O LEU A 25 -4.096 8.133 0.419 1.00 0.00 O ATOM 411 CB LEU A 25 -1.025 8.103 1.701 1.00 0.00 C ATOM 412 CG LEU A 25 -0.061 7.782 2.851 1.00 0.00 C ATOM 413 CD1 LEU A 25 -0.729 6.926 3.921 1.00 0.00 C ATOM 414 CD2 LEU A 25 1.199 7.110 2.323 1.00 0.00 C ATOM 0 H LEU A 25 -0.804 5.630 0.959 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.817 7.171 2.379 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -0.449 8.150 0.777 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.437 9.098 1.870 1.00 0.00 H new ATOM 0 HG LEU A 25 0.223 8.725 3.319 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -0.016 6.719 4.719 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -1.587 7.459 4.330 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -1.062 5.987 3.480 1.00 0.00 H new ATOM 0 HD21 LEU A 25 1.870 6.891 3.154 1.00 0.00 H new ATOM 0 HD22 LEU A 25 0.932 6.182 1.817 1.00 0.00 H new ATOM 0 HD23 LEU A 25 1.699 7.776 1.619 1.00 0.00 H new ATOM 426 N VAL A 26 -2.526 7.226 -0.896 1.00 0.00 N ATOM 427 CA VAL A 26 -3.257 7.537 -2.121 1.00 0.00 C ATOM 428 C VAL A 26 -4.383 6.543 -2.238 1.00 0.00 C ATOM 429 O VAL A 26 -5.474 6.834 -2.732 1.00 0.00 O ATOM 430 CB VAL A 26 -2.390 7.463 -3.399 1.00 0.00 C ATOM 431 CG1 VAL A 26 -2.018 8.857 -3.872 1.00 0.00 C ATOM 432 CG2 VAL A 26 -1.145 6.609 -3.192 1.00 0.00 C ATOM 0 H VAL A 26 -1.638 6.744 -1.038 1.00 0.00 H new ATOM 0 HA VAL A 26 -3.608 8.566 -2.048 1.00 0.00 H new ATOM 0 HB VAL A 26 -2.986 6.981 -4.173 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -1.408 8.785 -4.772 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.925 9.421 -4.092 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -1.454 9.368 -3.091 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -0.564 6.583 -4.114 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -0.539 7.037 -2.393 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -1.440 5.595 -2.921 1.00 0.00 H new ATOM 442 N CYS A 27 -4.092 5.363 -1.730 1.00 0.00 N ATOM 443 CA CYS A 27 -5.026 4.278 -1.702 1.00 0.00 C ATOM 444 C CYS A 27 -6.263 4.704 -0.969 1.00 0.00 C ATOM 445 O CYS A 27 -7.374 4.645 -1.494 1.00 0.00 O ATOM 446 CB CYS A 27 -4.367 3.077 -1.015 1.00 0.00 C ATOM 447 SG CYS A 27 -5.203 2.418 0.476 1.00 0.00 S ATOM 0 H CYS A 27 -3.185 5.137 -1.322 1.00 0.00 H new ATOM 0 HA CYS A 27 -5.310 3.993 -2.715 1.00 0.00 H new ATOM 0 HB2 CYS A 27 -4.287 2.271 -1.744 1.00 0.00 H new ATOM 0 HB3 CYS A 27 -3.351 3.359 -0.738 1.00 0.00 H new ATOM 452 N ARG A 28 -6.061 5.116 0.267 1.00 0.00 N ATOM 453 CA ARG A 28 -7.163 5.523 1.095 1.00 0.00 C ATOM 454 C ARG A 28 -7.976 6.606 0.400 1.00 0.00 C ATOM 455 O ARG A 28 -9.211 6.627 0.479 1.00 0.00 O ATOM 456 CB ARG A 28 -6.667 5.980 2.460 1.00 0.00 C ATOM 457 CG ARG A 28 -6.109 4.848 3.331 1.00 0.00 C ATOM 458 CD ARG A 28 -5.243 5.423 4.445 1.00 0.00 C ATOM 459 NE ARG A 28 -4.040 4.642 4.714 1.00 0.00 N ATOM 460 CZ ARG A 28 -4.014 3.576 5.519 1.00 0.00 C ATOM 461 NH1 ARG A 28 -5.140 3.104 6.040 1.00 0.00 N ATOM 462 NH2 ARG A 28 -2.863 2.981 5.805 1.00 0.00 N ATOM 0 H ARG A 28 -5.145 5.175 0.713 1.00 0.00 H new ATOM 0 HA ARG A 28 -7.819 4.667 1.255 1.00 0.00 H new ATOM 0 HB2 ARG A 28 -5.892 6.733 2.320 1.00 0.00 H new ATOM 0 HB3 ARG A 28 -7.488 6.462 2.991 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -6.928 4.270 3.758 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -5.521 4.164 2.719 1.00 0.00 H new ATOM 0 HD2 ARG A 28 -4.954 6.440 4.180 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -5.836 5.487 5.358 1.00 0.00 H new ATOM 0 HE ARG A 28 -3.171 4.926 4.262 1.00 0.00 H new ATOM 0 HH11 ARG A 28 -6.029 3.555 5.826 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -5.116 2.290 6.654 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -1.993 3.337 5.410 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.848 2.167 6.420 1.00 0.00 H new ATOM 476 N LEU A 29 -7.287 7.479 -0.332 1.00 0.00 N ATOM 477 CA LEU A 29 -7.979 8.522 -1.079 1.00 0.00 C ATOM 478 C LEU A 29 -8.976 7.863 -2.024 1.00 0.00 C ATOM 479 O LEU A 29 -10.034 8.415 -2.328 1.00 0.00 O ATOM 480 CB LEU A 29 -6.995 9.393 -1.865 1.00 0.00 C ATOM 481 CG LEU A 29 -6.044 10.232 -1.008 1.00 0.00 C ATOM 482 CD1 LEU A 29 -4.873 10.731 -1.844 1.00 0.00 C ATOM 483 CD2 LEU A 29 -6.789 11.399 -0.376 1.00 0.00 C ATOM 0 H LEU A 29 -6.271 7.485 -0.422 1.00 0.00 H new ATOM 0 HA LEU A 29 -8.501 9.175 -0.379 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -6.402 8.749 -2.514 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -7.562 10.062 -2.512 1.00 0.00 H new ATOM 0 HG LEU A 29 -5.650 9.603 -0.209 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -4.207 11.326 -1.219 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -4.326 9.880 -2.249 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -5.246 11.345 -2.663 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -6.099 11.986 0.230 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -7.210 12.029 -1.160 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -7.593 11.019 0.255 1.00 0.00 H new ATOM 495 N VAL A 30 -8.628 6.653 -2.454 1.00 0.00 N ATOM 496 CA VAL A 30 -9.480 5.866 -3.335 1.00 0.00 C ATOM 497 C VAL A 30 -10.550 5.143 -2.519 1.00 0.00 C ATOM 498 O VAL A 30 -11.653 4.892 -3.004 1.00 0.00 O ATOM 499 CB VAL A 30 -8.647 4.843 -4.151 1.00 0.00 C ATOM 500 CG1 VAL A 30 -9.290 3.459 -4.145 1.00 0.00 C ATOM 501 CG2 VAL A 30 -8.453 5.331 -5.580 1.00 0.00 C ATOM 0 H VAL A 30 -7.752 6.194 -2.202 1.00 0.00 H new ATOM 0 HA VAL A 30 -9.963 6.545 -4.038 1.00 0.00 H new ATOM 0 HB VAL A 30 -7.672 4.757 -3.671 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -8.677 2.771 -4.727 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -9.367 3.098 -3.119 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -10.286 3.519 -4.584 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -7.866 4.601 -6.137 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -9.425 5.456 -6.057 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -7.928 6.286 -5.570 1.00 0.00 H new ATOM 511 N LEU A 31 -10.213 4.818 -1.274 1.00 0.00 N ATOM 512 CA LEU A 31 -11.142 4.129 -0.379 1.00 0.00 C ATOM 513 C LEU A 31 -12.464 4.882 -0.315 1.00 0.00 C ATOM 514 O LEU A 31 -13.534 4.284 -0.189 1.00 0.00 O ATOM 515 CB LEU A 31 -10.529 3.979 1.022 1.00 0.00 C ATOM 516 CG LEU A 31 -11.459 4.298 2.199 1.00 0.00 C ATOM 517 CD1 LEU A 31 -10.957 3.634 3.471 1.00 0.00 C ATOM 518 CD2 LEU A 31 -11.584 5.804 2.391 1.00 0.00 C ATOM 0 H LEU A 31 -9.303 5.020 -0.860 1.00 0.00 H new ATOM 0 HA LEU A 31 -11.333 3.130 -0.772 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -10.172 2.955 1.133 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -9.657 4.629 1.087 1.00 0.00 H new ATOM 0 HG LEU A 31 -12.448 3.900 1.973 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -11.629 3.872 4.295 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -10.924 2.554 3.329 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.957 4.000 3.702 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -12.248 6.010 3.231 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -10.600 6.228 2.594 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -11.993 6.253 1.486 1.00 0.00 H new ATOM 530 N ARG A 32 -12.378 6.198 -0.425 1.00 0.00 N ATOM 531 CA ARG A 32 -13.568 7.046 -0.406 1.00 0.00 C ATOM 532 C ARG A 32 -14.535 6.623 -1.510 1.00 0.00 C ATOM 533 O ARG A 32 -15.724 6.933 -1.452 1.00 0.00 O ATOM 534 CB ARG A 32 -13.176 8.519 -0.579 1.00 0.00 C ATOM 535 CG ARG A 32 -14.312 9.426 -1.041 1.00 0.00 C ATOM 536 CD ARG A 32 -15.523 9.336 -0.121 1.00 0.00 C ATOM 537 NE ARG A 32 -16.780 9.255 -0.863 1.00 0.00 N ATOM 538 CZ ARG A 32 -17.968 9.559 -0.340 1.00 0.00 C ATOM 539 NH1 ARG A 32 -18.060 9.950 0.926 1.00 0.00 N ATOM 540 NH2 ARG A 32 -19.067 9.471 -1.079 1.00 0.00 N ATOM 0 H ARG A 32 -11.499 6.706 -0.528 1.00 0.00 H new ATOM 0 HA ARG A 32 -14.064 6.929 0.558 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -12.792 8.893 0.370 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -12.361 8.583 -1.300 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -13.961 10.457 -1.078 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -14.605 9.152 -2.055 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -15.425 8.460 0.520 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -15.545 10.208 0.533 1.00 0.00 H new ATOM 0 HE ARG A 32 -16.746 8.949 -1.835 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -17.220 10.018 1.501 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -18.970 10.182 1.323 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -19.005 9.170 -2.051 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -19.974 9.705 -0.674 1.00 0.00 H new ATOM 554 N CYS A 33 -14.000 5.915 -2.513 1.00 0.00 N ATOM 555 CA CYS A 33 -14.774 5.424 -3.658 1.00 0.00 C ATOM 556 C CYS A 33 -16.286 5.489 -3.414 1.00 0.00 C ATOM 557 O CYS A 33 -17.000 6.232 -4.088 1.00 0.00 O ATOM 558 CB CYS A 33 -14.324 3.991 -3.991 1.00 0.00 C ATOM 559 SG CYS A 33 -15.636 2.864 -4.577 1.00 0.00 S ATOM 0 H CYS A 33 -13.012 5.666 -2.552 1.00 0.00 H new ATOM 0 HA CYS A 33 -14.579 6.076 -4.509 1.00 0.00 H new ATOM 0 HB2 CYS A 33 -13.547 4.042 -4.754 1.00 0.00 H new ATOM 0 HB3 CYS A 33 -13.869 3.557 -3.101 1.00 0.00 H new ATOM 564 N SER A 34 -16.764 4.711 -2.450 1.00 0.00 N ATOM 565 CA SER A 34 -18.187 4.691 -2.125 1.00 0.00 C ATOM 566 C SER A 34 -18.676 6.084 -1.747 1.00 0.00 C ATOM 567 O SER A 34 -19.293 6.745 -2.608 1.00 0.00 O ATOM 568 CB SER A 34 -18.460 3.712 -0.981 1.00 0.00 C ATOM 569 OG SER A 34 -19.792 3.837 -0.509 1.00 0.00 O ATOM 570 OXT SER A 34 -18.439 6.501 -0.594 1.00 0.00 O ATOM 0 H SER A 34 -16.191 4.088 -1.881 1.00 0.00 H new ATOM 0 HA SER A 34 -18.731 4.361 -3.010 1.00 0.00 H new ATOM 0 HB2 SER A 34 -18.286 2.691 -1.322 1.00 0.00 H new ATOM 0 HB3 SER A 34 -17.762 3.898 -0.164 1.00 0.00 H new ATOM 0 HG SER A 34 -19.942 3.200 0.220 1.00 0.00 H new