USER MOD reduce.3.24.130724 H: found=0, std=0, add=376, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 373 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 19 SER OG : rot -100:sc= 0.84 USER MOD Set 1.2: A 22 LYS NZ :NH3+ 160:sc= 0.93 (180deg=-0.047) USER MOD Set 2.1: A 10 SER OG : rot -150:sc= 1.29 USER MOD Set 2.2: A 12 THR OG1 : rot -120:sc= 0.0254 USER MOD Set 2.3: A 26 GLN : amide:sc= -1.26! C(o=0.048!,f=-8.1!) USER MOD Single : A 1 ASP N :NH3+ -141:sc= 0.282 (180deg=0.0196) USER MOD Single : A 4 LYS NZ :NH3+ 172:sc= 1.3 (180deg=1.16) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 16 HIS : no HD1:sc= 0 X(o=0,f=-0.0033) USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 16:sc= -0.777 USER MOD Single : A 25 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 28 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.00675) USER MOD Single : A 32 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 TYR OH : rot 180:sc= -1.02 USER MOD Single : A 40 HIS : no HD1:sc=-0.00244 X(o=-0.0024,f=-0.0043) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ 135:sc= 1.11 (180deg=-0.381) USER MOD Single : A 51 LYS NZ :NH3+ 168:sc= 1.16 (180deg=0.926) USER MOD Single : A 53 GLN : amide:sc= -0.718 X(o=-0.72,f=-1) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 1 10.941 -9.494 -11.901 1.00 0.00 N ATOM 2 CA ASP A 1 12.379 -9.671 -11.708 1.00 0.00 C ATOM 3 C ASP A 1 12.948 -8.395 -11.122 1.00 0.00 C ATOM 4 O ASP A 1 12.206 -7.427 -10.910 1.00 0.00 O ATOM 5 CB ASP A 1 13.072 -9.988 -13.042 1.00 0.00 C ATOM 6 CG ASP A 1 13.001 -8.844 -14.017 1.00 0.00 C ATOM 7 OD1 ASP A 1 11.908 -8.582 -14.562 1.00 0.00 O ATOM 8 OD2 ASP A 1 14.022 -8.174 -14.239 1.00 0.00 O ATOM 0 H1 ASP A 1 10.447 -10.375 -11.655 1.00 0.00 H new ATOM 0 H2 ASP A 1 10.601 -8.724 -11.290 1.00 0.00 H new ATOM 0 H3 ASP A 1 10.751 -9.257 -12.896 1.00 0.00 H new ATOM 0 HA ASP A 1 12.553 -10.507 -11.030 1.00 0.00 H new ATOM 0 HB2 ASP A 1 14.117 -10.236 -12.855 1.00 0.00 H new ATOM 0 HB3 ASP A 1 12.610 -10.869 -13.487 1.00 0.00 H new ATOM 15 N GLY A 2 14.236 -8.387 -10.860 1.00 0.00 N ATOM 16 CA GLY A 2 14.864 -7.242 -10.258 1.00 0.00 C ATOM 17 C GLY A 2 14.668 -7.287 -8.781 1.00 0.00 C ATOM 18 O GLY A 2 14.850 -8.348 -8.165 1.00 0.00 O ATOM 0 H GLY A 2 14.866 -9.164 -11.056 1.00 0.00 H new ATOM 0 HA2 GLY A 2 15.928 -7.231 -10.494 1.00 0.00 H new ATOM 0 HA3 GLY A 2 14.438 -6.325 -10.664 1.00 0.00 H new ATOM 22 N VAL A 3 14.278 -6.188 -8.202 1.00 0.00 N ATOM 23 CA VAL A 3 13.983 -6.173 -6.810 1.00 0.00 C ATOM 24 C VAL A 3 12.538 -6.610 -6.604 1.00 0.00 C ATOM 25 O VAL A 3 11.631 -6.194 -7.345 1.00 0.00 O ATOM 26 CB VAL A 3 14.244 -4.786 -6.146 1.00 0.00 C ATOM 27 CG1 VAL A 3 15.701 -4.378 -6.296 1.00 0.00 C ATOM 28 CG2 VAL A 3 13.323 -3.701 -6.694 1.00 0.00 C ATOM 0 H VAL A 3 14.159 -5.294 -8.678 1.00 0.00 H new ATOM 0 HA VAL A 3 14.660 -6.871 -6.318 1.00 0.00 H new ATOM 0 HB VAL A 3 14.019 -4.895 -5.085 1.00 0.00 H new ATOM 0 HG11 VAL A 3 15.857 -3.408 -5.825 1.00 0.00 H new ATOM 0 HG12 VAL A 3 16.338 -5.121 -5.816 1.00 0.00 H new ATOM 0 HG13 VAL A 3 15.953 -4.312 -7.354 1.00 0.00 H new ATOM 0 HG21 VAL A 3 13.543 -2.754 -6.201 1.00 0.00 H new ATOM 0 HG22 VAL A 3 13.482 -3.597 -7.767 1.00 0.00 H new ATOM 0 HG23 VAL A 3 12.285 -3.976 -6.506 1.00 0.00 H new ATOM 38 N LYS A 4 12.337 -7.487 -5.673 1.00 0.00 N ATOM 39 CA LYS A 4 11.017 -7.951 -5.351 1.00 0.00 C ATOM 40 C LYS A 4 10.483 -7.140 -4.221 1.00 0.00 C ATOM 41 O LYS A 4 11.220 -6.774 -3.306 1.00 0.00 O ATOM 42 CB LYS A 4 10.976 -9.454 -5.010 1.00 0.00 C ATOM 43 CG LYS A 4 11.014 -10.404 -6.219 1.00 0.00 C ATOM 44 CD LYS A 4 12.306 -10.331 -7.027 1.00 0.00 C ATOM 45 CE LYS A 4 13.495 -10.836 -6.238 1.00 0.00 C ATOM 46 NZ LYS A 4 14.720 -10.828 -7.043 1.00 0.00 N ATOM 0 H LYS A 4 13.080 -7.904 -5.112 1.00 0.00 H new ATOM 0 HA LYS A 4 10.392 -7.825 -6.235 1.00 0.00 H new ATOM 0 HB2 LYS A 4 11.820 -9.685 -4.360 1.00 0.00 H new ATOM 0 HB3 LYS A 4 10.070 -9.655 -4.439 1.00 0.00 H new ATOM 0 HG2 LYS A 4 10.874 -11.427 -5.869 1.00 0.00 H new ATOM 0 HG3 LYS A 4 10.174 -10.174 -6.875 1.00 0.00 H new ATOM 0 HD2 LYS A 4 12.198 -10.920 -7.938 1.00 0.00 H new ATOM 0 HD3 LYS A 4 12.485 -9.300 -7.333 1.00 0.00 H new ATOM 0 HE2 LYS A 4 13.636 -10.214 -5.354 1.00 0.00 H new ATOM 0 HE3 LYS A 4 13.296 -11.849 -5.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 15.535 -11.049 -6.437 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 14.645 -11.541 -7.796 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 14.850 -9.888 -7.468 1.00 0.00 H new ATOM 60 N LEU A 5 9.239 -6.818 -4.288 1.00 0.00 N ATOM 61 CA LEU A 5 8.646 -6.015 -3.277 1.00 0.00 C ATOM 62 C LEU A 5 7.550 -6.795 -2.609 1.00 0.00 C ATOM 63 O LEU A 5 6.837 -7.583 -3.258 1.00 0.00 O ATOM 64 CB LEU A 5 8.102 -4.703 -3.865 1.00 0.00 C ATOM 65 CG LEU A 5 9.098 -3.884 -4.702 1.00 0.00 C ATOM 66 CD1 LEU A 5 8.432 -2.678 -5.324 1.00 0.00 C ATOM 67 CD2 LEU A 5 10.295 -3.453 -3.877 1.00 0.00 C ATOM 0 H LEU A 5 8.608 -7.101 -5.038 1.00 0.00 H new ATOM 0 HA LEU A 5 9.404 -5.752 -2.539 1.00 0.00 H new ATOM 0 HB2 LEU A 5 7.238 -4.936 -4.487 1.00 0.00 H new ATOM 0 HB3 LEU A 5 7.745 -4.079 -3.045 1.00 0.00 H new ATOM 0 HG LEU A 5 9.452 -4.534 -5.503 1.00 0.00 H new ATOM 0 HD11 LEU A 5 9.163 -2.120 -5.909 1.00 0.00 H new ATOM 0 HD12 LEU A 5 7.620 -3.005 -5.974 1.00 0.00 H new ATOM 0 HD13 LEU A 5 8.032 -2.038 -4.538 1.00 0.00 H new ATOM 0 HD21 LEU A 5 10.978 -2.876 -4.501 1.00 0.00 H new ATOM 0 HD22 LEU A 5 9.959 -2.838 -3.042 1.00 0.00 H new ATOM 0 HD23 LEU A 5 10.810 -4.334 -3.494 1.00 0.00 H new ATOM 79 N CYS A 6 7.453 -6.634 -1.346 1.00 0.00 N ATOM 80 CA CYS A 6 6.422 -7.261 -0.576 1.00 0.00 C ATOM 81 C CYS A 6 5.400 -6.210 -0.251 1.00 0.00 C ATOM 82 O CYS A 6 5.730 -5.176 0.338 1.00 0.00 O ATOM 83 CB CYS A 6 6.987 -7.874 0.705 1.00 0.00 C ATOM 84 SG CYS A 6 8.350 -9.052 0.431 1.00 0.00 S ATOM 0 H CYS A 6 8.091 -6.057 -0.798 1.00 0.00 H new ATOM 0 HA CYS A 6 5.971 -8.073 -1.146 1.00 0.00 H new ATOM 0 HB2 CYS A 6 7.340 -7.072 1.353 1.00 0.00 H new ATOM 0 HB3 CYS A 6 6.183 -8.383 1.236 1.00 0.00 H new ATOM 89 N ASP A 7 4.195 -6.439 -0.674 1.00 0.00 N ATOM 90 CA ASP A 7 3.125 -5.492 -0.491 1.00 0.00 C ATOM 91 C ASP A 7 2.423 -5.801 0.801 1.00 0.00 C ATOM 92 O ASP A 7 1.708 -6.800 0.907 1.00 0.00 O ATOM 93 CB ASP A 7 2.119 -5.574 -1.644 1.00 0.00 C ATOM 94 CG ASP A 7 2.730 -5.393 -3.006 1.00 0.00 C ATOM 95 OD1 ASP A 7 3.068 -4.259 -3.384 1.00 0.00 O ATOM 96 OD2 ASP A 7 2.873 -6.402 -3.749 1.00 0.00 O ATOM 0 H ASP A 7 3.919 -7.292 -1.160 1.00 0.00 H new ATOM 0 HA ASP A 7 3.543 -4.486 -0.470 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.619 -6.542 -1.608 1.00 0.00 H new ATOM 0 HB3 ASP A 7 1.352 -4.813 -1.498 1.00 0.00 H new ATOM 101 N VAL A 8 2.646 -4.991 1.788 1.00 0.00 N ATOM 102 CA VAL A 8 2.049 -5.211 3.082 1.00 0.00 C ATOM 103 C VAL A 8 0.846 -4.289 3.268 1.00 0.00 C ATOM 104 O VAL A 8 0.906 -3.110 2.925 1.00 0.00 O ATOM 105 CB VAL A 8 3.075 -5.052 4.252 1.00 0.00 C ATOM 106 CG1 VAL A 8 4.226 -6.025 4.080 1.00 0.00 C ATOM 107 CG2 VAL A 8 3.606 -3.633 4.355 1.00 0.00 C ATOM 0 H VAL A 8 3.240 -4.164 1.728 1.00 0.00 H new ATOM 0 HA VAL A 8 1.709 -6.246 3.115 1.00 0.00 H new ATOM 0 HB VAL A 8 2.547 -5.275 5.179 1.00 0.00 H new ATOM 0 HG11 VAL A 8 4.932 -5.903 4.902 1.00 0.00 H new ATOM 0 HG12 VAL A 8 3.843 -7.045 4.080 1.00 0.00 H new ATOM 0 HG13 VAL A 8 4.732 -5.827 3.135 1.00 0.00 H new ATOM 0 HG21 VAL A 8 4.315 -3.569 5.181 1.00 0.00 H new ATOM 0 HG22 VAL A 8 4.107 -3.363 3.425 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.778 -2.947 4.533 1.00 0.00 H new ATOM 117 N PRO A 9 -0.272 -4.813 3.775 1.00 0.00 N ATOM 118 CA PRO A 9 -1.491 -4.029 3.948 1.00 0.00 C ATOM 119 C PRO A 9 -1.300 -2.885 4.937 1.00 0.00 C ATOM 120 O PRO A 9 -0.937 -3.109 6.098 1.00 0.00 O ATOM 121 CB PRO A 9 -2.519 -5.042 4.476 1.00 0.00 C ATOM 122 CG PRO A 9 -1.716 -6.183 5.008 1.00 0.00 C ATOM 123 CD PRO A 9 -0.433 -6.208 4.228 1.00 0.00 C ATOM 0 HA PRO A 9 -1.801 -3.554 3.017 1.00 0.00 H new ATOM 0 HB2 PRO A 9 -3.140 -4.601 5.256 1.00 0.00 H new ATOM 0 HB3 PRO A 9 -3.190 -5.370 3.682 1.00 0.00 H new ATOM 0 HG2 PRO A 9 -1.519 -6.055 6.072 1.00 0.00 H new ATOM 0 HG3 PRO A 9 -2.256 -7.123 4.895 1.00 0.00 H new ATOM 0 HD2 PRO A 9 0.406 -6.527 4.847 1.00 0.00 H new ATOM 0 HD3 PRO A 9 -0.489 -6.898 3.386 1.00 0.00 H new ATOM 131 N SER A 10 -1.506 -1.678 4.474 1.00 0.00 N ATOM 132 CA SER A 10 -1.380 -0.526 5.316 1.00 0.00 C ATOM 133 C SER A 10 -2.639 -0.393 6.163 1.00 0.00 C ATOM 134 O SER A 10 -3.750 -0.216 5.633 1.00 0.00 O ATOM 135 CB SER A 10 -1.154 0.736 4.475 1.00 0.00 C ATOM 136 OG SER A 10 -0.880 1.848 5.303 1.00 0.00 O ATOM 0 H SER A 10 -1.764 -1.472 3.509 1.00 0.00 H new ATOM 0 HA SER A 10 -0.516 -0.646 5.970 1.00 0.00 H new ATOM 0 HB2 SER A 10 -0.324 0.576 3.787 1.00 0.00 H new ATOM 0 HB3 SER A 10 -2.037 0.937 3.868 1.00 0.00 H new ATOM 0 HG SER A 10 -1.198 2.666 4.868 1.00 0.00 H new ATOM 142 N GLY A 11 -2.472 -0.513 7.463 1.00 0.00 N ATOM 143 CA GLY A 11 -3.581 -0.433 8.379 1.00 0.00 C ATOM 144 C GLY A 11 -4.112 0.970 8.512 1.00 0.00 C ATOM 145 O GLY A 11 -5.295 1.169 8.806 1.00 0.00 O ATOM 0 H GLY A 11 -1.568 -0.668 7.909 1.00 0.00 H new ATOM 0 HA2 GLY A 11 -4.380 -1.091 8.037 1.00 0.00 H new ATOM 0 HA3 GLY A 11 -3.267 -0.795 9.358 1.00 0.00 H new ATOM 149 N THR A 12 -3.260 1.942 8.261 1.00 0.00 N ATOM 150 CA THR A 12 -3.627 3.334 8.341 1.00 0.00 C ATOM 151 C THR A 12 -4.493 3.770 7.159 1.00 0.00 C ATOM 152 O THR A 12 -5.025 4.876 7.140 1.00 0.00 O ATOM 153 CB THR A 12 -2.376 4.215 8.468 1.00 0.00 C ATOM 154 OG1 THR A 12 -1.261 3.536 7.863 1.00 0.00 O ATOM 155 CG2 THR A 12 -2.069 4.525 9.921 1.00 0.00 C ATOM 0 H THR A 12 -2.288 1.784 7.994 1.00 0.00 H new ATOM 0 HA THR A 12 -4.232 3.462 9.239 1.00 0.00 H new ATOM 0 HB THR A 12 -2.559 5.160 7.957 1.00 0.00 H new ATOM 0 HG1 THR A 12 -0.561 3.394 8.534 1.00 0.00 H new ATOM 0 HG21 THR A 12 -1.178 5.150 9.979 1.00 0.00 H new ATOM 0 HG22 THR A 12 -2.912 5.053 10.367 1.00 0.00 H new ATOM 0 HG23 THR A 12 -1.896 3.595 10.463 1.00 0.00 H new ATOM 163 N TRP A 13 -4.632 2.908 6.179 1.00 0.00 N ATOM 164 CA TRP A 13 -5.492 3.199 5.076 1.00 0.00 C ATOM 165 C TRP A 13 -6.798 2.461 5.274 1.00 0.00 C ATOM 166 O TRP A 13 -6.811 1.234 5.448 1.00 0.00 O ATOM 167 CB TRP A 13 -4.866 2.790 3.745 1.00 0.00 C ATOM 168 CG TRP A 13 -5.610 3.351 2.569 1.00 0.00 C ATOM 169 CD1 TRP A 13 -6.748 2.864 2.004 1.00 0.00 C ATOM 170 CD2 TRP A 13 -5.250 4.512 1.812 1.00 0.00 C ATOM 171 NE1 TRP A 13 -7.139 3.673 0.971 1.00 0.00 N ATOM 172 CE2 TRP A 13 -6.229 4.685 0.827 1.00 0.00 C ATOM 173 CE3 TRP A 13 -4.196 5.424 1.881 1.00 0.00 C ATOM 174 CZ2 TRP A 13 -6.189 5.739 -0.082 1.00 0.00 C ATOM 175 CZ3 TRP A 13 -4.155 6.463 0.979 1.00 0.00 C ATOM 176 CH2 TRP A 13 -5.148 6.613 0.010 1.00 0.00 C ATOM 0 H TRP A 13 -4.159 2.005 6.130 1.00 0.00 H new ATOM 0 HA TRP A 13 -5.659 4.276 5.041 1.00 0.00 H new ATOM 0 HB2 TRP A 13 -3.831 3.130 3.713 1.00 0.00 H new ATOM 0 HB3 TRP A 13 -4.846 1.702 3.674 1.00 0.00 H new ATOM 0 HD1 TRP A 13 -7.266 1.972 2.323 1.00 0.00 H new ATOM 0 HE1 TRP A 13 -7.974 3.542 0.400 1.00 0.00 H new ATOM 0 HE3 TRP A 13 -3.425 5.316 2.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 -6.956 5.859 -0.833 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 -3.342 7.173 1.022 1.00 0.00 H new ATOM 0 HH2 TRP A 13 -5.090 7.440 -0.682 1.00 0.00 H new ATOM 187 N SER A 14 -7.865 3.187 5.254 1.00 0.00 N ATOM 188 CA SER A 14 -9.171 2.634 5.392 1.00 0.00 C ATOM 189 C SER A 14 -9.994 3.086 4.190 1.00 0.00 C ATOM 190 O SER A 14 -9.827 4.221 3.707 1.00 0.00 O ATOM 191 CB SER A 14 -9.795 3.113 6.717 1.00 0.00 C ATOM 192 OG SER A 14 -11.079 2.535 6.954 1.00 0.00 O ATOM 0 H SER A 14 -7.854 4.200 5.139 1.00 0.00 H new ATOM 0 HA SER A 14 -9.140 1.545 5.419 1.00 0.00 H new ATOM 0 HB2 SER A 14 -9.128 2.861 7.542 1.00 0.00 H new ATOM 0 HB3 SER A 14 -9.886 4.199 6.701 1.00 0.00 H new ATOM 0 HG SER A 14 -11.435 2.866 7.805 1.00 0.00 H new ATOM 198 N GLY A 15 -10.820 2.208 3.676 1.00 0.00 N ATOM 199 CA GLY A 15 -11.637 2.540 2.546 1.00 0.00 C ATOM 200 C GLY A 15 -10.961 2.188 1.238 1.00 0.00 C ATOM 201 O GLY A 15 -9.986 1.423 1.223 1.00 0.00 O ATOM 0 H GLY A 15 -10.941 1.258 4.026 1.00 0.00 H new ATOM 0 HA2 GLY A 15 -12.587 2.011 2.617 1.00 0.00 H new ATOM 0 HA3 GLY A 15 -11.863 3.606 2.562 1.00 0.00 H new ATOM 205 N HIS A 16 -11.475 2.732 0.157 1.00 0.00 N ATOM 206 CA HIS A 16 -10.937 2.516 -1.180 1.00 0.00 C ATOM 207 C HIS A 16 -9.606 3.264 -1.348 1.00 0.00 C ATOM 208 O HIS A 16 -9.386 4.316 -0.738 1.00 0.00 O ATOM 209 CB HIS A 16 -11.983 2.971 -2.244 1.00 0.00 C ATOM 210 CG HIS A 16 -11.546 2.866 -3.694 1.00 0.00 C ATOM 211 ND1 HIS A 16 -11.695 1.740 -4.473 1.00 0.00 N ATOM 212 CD2 HIS A 16 -10.963 3.791 -4.497 1.00 0.00 C ATOM 213 CE1 HIS A 16 -11.211 2.002 -5.688 1.00 0.00 C ATOM 214 NE2 HIS A 16 -10.753 3.240 -5.760 1.00 0.00 N ATOM 0 H HIS A 16 -12.289 3.346 0.176 1.00 0.00 H new ATOM 0 HA HIS A 16 -10.739 1.454 -1.324 1.00 0.00 H new ATOM 0 HB2 HIS A 16 -12.887 2.376 -2.114 1.00 0.00 H new ATOM 0 HB3 HIS A 16 -12.252 4.008 -2.040 1.00 0.00 H new ATOM 0 HD2 HIS A 16 -10.702 4.797 -4.204 1.00 0.00 H new ATOM 0 HE1 HIS A 16 -11.195 1.296 -6.505 1.00 0.00 H new ATOM 0 HE2 HIS A 16 -10.334 3.696 -6.570 1.00 0.00 H new ATOM 222 N CYS A 17 -8.716 2.688 -2.111 1.00 0.00 N ATOM 223 CA CYS A 17 -7.449 3.296 -2.424 1.00 0.00 C ATOM 224 C CYS A 17 -7.475 3.694 -3.883 1.00 0.00 C ATOM 225 O CYS A 17 -7.362 2.839 -4.769 1.00 0.00 O ATOM 226 CB CYS A 17 -6.300 2.301 -2.157 1.00 0.00 C ATOM 227 SG CYS A 17 -4.599 2.990 -2.249 1.00 0.00 S ATOM 0 H CYS A 17 -8.851 1.772 -2.538 1.00 0.00 H new ATOM 0 HA CYS A 17 -7.283 4.173 -1.798 1.00 0.00 H new ATOM 0 HB2 CYS A 17 -6.443 1.870 -1.166 1.00 0.00 H new ATOM 0 HB3 CYS A 17 -6.379 1.484 -2.875 1.00 0.00 H new ATOM 232 N GLY A 18 -7.718 4.955 -4.143 1.00 0.00 N ATOM 233 CA GLY A 18 -7.759 5.417 -5.505 1.00 0.00 C ATOM 234 C GLY A 18 -6.505 6.157 -5.863 1.00 0.00 C ATOM 235 O GLY A 18 -5.891 5.904 -6.908 1.00 0.00 O ATOM 0 H GLY A 18 -7.888 5.671 -3.437 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -7.888 4.568 -6.176 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -8.622 6.068 -5.645 1.00 0.00 H new ATOM 239 N SER A 19 -6.103 7.047 -4.995 1.00 0.00 N ATOM 240 CA SER A 19 -4.924 7.817 -5.206 1.00 0.00 C ATOM 241 C SER A 19 -3.697 7.025 -4.772 1.00 0.00 C ATOM 242 O SER A 19 -3.397 6.911 -3.568 1.00 0.00 O ATOM 243 CB SER A 19 -5.003 9.116 -4.435 1.00 0.00 C ATOM 244 OG SER A 19 -6.159 9.860 -4.779 1.00 0.00 O ATOM 0 H SER A 19 -6.590 7.253 -4.123 1.00 0.00 H new ATOM 0 HA SER A 19 -4.840 8.045 -6.269 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.011 8.905 -3.366 1.00 0.00 H new ATOM 0 HB3 SER A 19 -4.113 9.713 -4.635 1.00 0.00 H new ATOM 0 HG SER A 19 -5.916 10.567 -5.413 1.00 0.00 H new ATOM 250 N SER A 20 -2.999 6.494 -5.745 1.00 0.00 N ATOM 251 CA SER A 20 -1.831 5.687 -5.517 1.00 0.00 C ATOM 252 C SER A 20 -0.719 6.535 -4.887 1.00 0.00 C ATOM 253 O SER A 20 0.058 6.043 -4.075 1.00 0.00 O ATOM 254 CB SER A 20 -1.373 5.062 -6.849 1.00 0.00 C ATOM 255 OG SER A 20 -0.387 4.050 -6.664 1.00 0.00 O ATOM 0 H SER A 20 -3.231 6.613 -6.731 1.00 0.00 H new ATOM 0 HA SER A 20 -2.069 4.882 -4.822 1.00 0.00 H new ATOM 0 HB2 SER A 20 -2.235 4.636 -7.363 1.00 0.00 H new ATOM 0 HB3 SER A 20 -0.971 5.843 -7.494 1.00 0.00 H new ATOM 0 HG SER A 20 -0.129 3.682 -7.535 1.00 0.00 H new ATOM 261 N SER A 21 -0.696 7.822 -5.213 1.00 0.00 N ATOM 262 CA SER A 21 0.313 8.721 -4.697 1.00 0.00 C ATOM 263 C SER A 21 0.067 9.047 -3.206 1.00 0.00 C ATOM 264 O SER A 21 1.012 9.317 -2.451 1.00 0.00 O ATOM 265 CB SER A 21 0.350 9.973 -5.559 1.00 0.00 C ATOM 266 OG SER A 21 0.491 9.608 -6.936 1.00 0.00 O ATOM 0 H SER A 21 -1.372 8.263 -5.837 1.00 0.00 H new ATOM 0 HA SER A 21 1.289 8.237 -4.745 1.00 0.00 H new ATOM 0 HB2 SER A 21 -0.564 10.550 -5.418 1.00 0.00 H new ATOM 0 HB3 SER A 21 1.180 10.611 -5.255 1.00 0.00 H new ATOM 0 HG SER A 21 0.513 10.417 -7.488 1.00 0.00 H new ATOM 272 N LYS A 22 -1.197 8.979 -2.770 1.00 0.00 N ATOM 273 CA LYS A 22 -1.508 9.190 -1.357 1.00 0.00 C ATOM 274 C LYS A 22 -1.097 7.960 -0.580 1.00 0.00 C ATOM 275 O LYS A 22 -0.650 8.048 0.569 1.00 0.00 O ATOM 276 CB LYS A 22 -2.999 9.475 -1.108 1.00 0.00 C ATOM 277 CG LYS A 22 -3.528 10.774 -1.694 1.00 0.00 C ATOM 278 CD LYS A 22 -4.967 11.018 -1.250 1.00 0.00 C ATOM 279 CE LYS A 22 -5.553 12.295 -1.846 1.00 0.00 C ATOM 280 NZ LYS A 22 -5.704 12.218 -3.318 1.00 0.00 N ATOM 0 H LYS A 22 -2.003 8.784 -3.363 1.00 0.00 H new ATOM 0 HA LYS A 22 -0.956 10.070 -1.026 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -3.581 8.649 -1.517 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -3.173 9.485 -0.032 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.898 11.605 -1.377 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.479 10.734 -2.782 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -5.583 10.168 -1.543 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -5.003 11.078 -0.162 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -6.526 12.490 -1.394 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -4.910 13.138 -1.594 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -6.393 12.930 -3.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -4.786 12.399 -3.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.040 11.270 -3.583 1.00 0.00 H new ATOM 294 N CYS A 23 -1.253 6.820 -1.228 1.00 0.00 N ATOM 295 CA CYS A 23 -0.865 5.534 -0.685 1.00 0.00 C ATOM 296 C CYS A 23 0.656 5.478 -0.507 1.00 0.00 C ATOM 297 O CYS A 23 1.159 5.131 0.574 1.00 0.00 O ATOM 298 CB CYS A 23 -1.362 4.414 -1.616 1.00 0.00 C ATOM 299 SG CYS A 23 -0.878 2.725 -1.142 1.00 0.00 S ATOM 0 H CYS A 23 -1.660 6.762 -2.162 1.00 0.00 H new ATOM 0 HA CYS A 23 -1.321 5.394 0.295 1.00 0.00 H new ATOM 0 HB2 CYS A 23 -2.450 4.461 -1.663 1.00 0.00 H new ATOM 0 HB3 CYS A 23 -0.991 4.610 -2.622 1.00 0.00 H new ATOM 304 N SER A 24 1.396 5.875 -1.539 1.00 0.00 N ATOM 305 CA SER A 24 2.828 5.895 -1.464 1.00 0.00 C ATOM 306 C SER A 24 3.310 6.893 -0.419 1.00 0.00 C ATOM 307 O SER A 24 4.224 6.590 0.356 1.00 0.00 O ATOM 308 CB SER A 24 3.438 6.150 -2.840 1.00 0.00 C ATOM 309 OG SER A 24 2.808 7.234 -3.476 1.00 0.00 O ATOM 0 H SER A 24 1.013 6.185 -2.432 1.00 0.00 H new ATOM 0 HA SER A 24 3.171 4.913 -1.139 1.00 0.00 H new ATOM 0 HB2 SER A 24 4.504 6.353 -2.737 1.00 0.00 H new ATOM 0 HB3 SER A 24 3.342 5.256 -3.456 1.00 0.00 H new ATOM 0 HG SER A 24 2.297 7.749 -2.816 1.00 0.00 H new ATOM 315 N GLN A 25 2.663 8.059 -0.363 1.00 0.00 N ATOM 316 CA GLN A 25 2.991 9.062 0.632 1.00 0.00 C ATOM 317 C GLN A 25 2.760 8.501 2.034 1.00 0.00 C ATOM 318 O GLN A 25 3.617 8.645 2.914 1.00 0.00 O ATOM 319 CB GLN A 25 2.154 10.326 0.435 1.00 0.00 C ATOM 320 CG GLN A 25 2.530 11.455 1.380 1.00 0.00 C ATOM 321 CD GLN A 25 1.667 12.681 1.210 1.00 0.00 C ATOM 322 OE1 GLN A 25 0.496 12.599 0.847 1.00 0.00 O ATOM 323 NE2 GLN A 25 2.224 13.821 1.482 1.00 0.00 N ATOM 0 H GLN A 25 1.910 8.325 -0.998 1.00 0.00 H new ATOM 0 HA GLN A 25 4.042 9.326 0.515 1.00 0.00 H new ATOM 0 HB2 GLN A 25 2.267 10.670 -0.593 1.00 0.00 H new ATOM 0 HB3 GLN A 25 1.101 10.081 0.575 1.00 0.00 H new ATOM 0 HG2 GLN A 25 2.451 11.102 2.408 1.00 0.00 H new ATOM 0 HG3 GLN A 25 3.573 11.726 1.216 1.00 0.00 H new ATOM 0 HE21 GLN A 25 3.199 13.854 1.781 1.00 0.00 H new ATOM 0 HE22 GLN A 25 1.687 14.684 1.397 1.00 0.00 H new ATOM 332 N GLN A 26 1.623 7.824 2.213 1.00 0.00 N ATOM 333 CA GLN A 26 1.247 7.230 3.490 1.00 0.00 C ATOM 334 C GLN A 26 2.289 6.229 3.939 1.00 0.00 C ATOM 335 O GLN A 26 2.800 6.328 5.037 1.00 0.00 O ATOM 336 CB GLN A 26 -0.132 6.555 3.408 1.00 0.00 C ATOM 337 CG GLN A 26 -0.572 5.883 4.705 1.00 0.00 C ATOM 338 CD GLN A 26 -1.913 5.203 4.584 1.00 0.00 C ATOM 339 OE1 GLN A 26 -1.995 4.044 4.216 1.00 0.00 O ATOM 340 NE2 GLN A 26 -2.968 5.903 4.912 1.00 0.00 N ATOM 0 H GLN A 26 0.938 7.674 1.472 1.00 0.00 H new ATOM 0 HA GLN A 26 1.189 8.034 4.224 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -0.875 7.302 3.128 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -0.114 5.810 2.613 1.00 0.00 H new ATOM 0 HG2 GLN A 26 0.177 5.149 5.001 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -0.618 6.629 5.498 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -2.863 6.871 5.216 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -3.895 5.481 4.864 1.00 0.00 H new ATOM 349 N CYS A 27 2.624 5.299 3.083 1.00 0.00 N ATOM 350 CA CYS A 27 3.593 4.281 3.421 1.00 0.00 C ATOM 351 C CYS A 27 5.004 4.836 3.633 1.00 0.00 C ATOM 352 O CYS A 27 5.747 4.319 4.454 1.00 0.00 O ATOM 353 CB CYS A 27 3.574 3.159 2.413 1.00 0.00 C ATOM 354 SG CYS A 27 2.009 2.239 2.391 1.00 0.00 S ATOM 0 H CYS A 27 2.240 5.223 2.141 1.00 0.00 H new ATOM 0 HA CYS A 27 3.291 3.873 4.386 1.00 0.00 H new ATOM 0 HB2 CYS A 27 3.760 3.569 1.420 1.00 0.00 H new ATOM 0 HB3 CYS A 27 4.390 2.470 2.632 1.00 0.00 H new ATOM 359 N LYS A 28 5.369 5.891 2.918 1.00 0.00 N ATOM 360 CA LYS A 28 6.669 6.529 3.139 1.00 0.00 C ATOM 361 C LYS A 28 6.685 7.272 4.471 1.00 0.00 C ATOM 362 O LYS A 28 7.718 7.378 5.119 1.00 0.00 O ATOM 363 CB LYS A 28 7.033 7.485 1.991 1.00 0.00 C ATOM 364 CG LYS A 28 7.348 6.785 0.672 1.00 0.00 C ATOM 365 CD LYS A 28 7.584 7.772 -0.472 1.00 0.00 C ATOM 366 CE LYS A 28 8.776 8.706 -0.231 1.00 0.00 C ATOM 367 NZ LYS A 28 10.068 7.985 -0.131 1.00 0.00 N ATOM 0 H LYS A 28 4.798 6.321 2.191 1.00 0.00 H new ATOM 0 HA LYS A 28 7.420 5.739 3.167 1.00 0.00 H new ATOM 0 HB2 LYS A 28 6.206 8.178 1.834 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.896 8.081 2.289 1.00 0.00 H new ATOM 0 HG2 LYS A 28 8.233 6.161 0.798 1.00 0.00 H new ATOM 0 HG3 LYS A 28 6.524 6.121 0.411 1.00 0.00 H new ATOM 0 HD2 LYS A 28 7.748 7.215 -1.395 1.00 0.00 H new ATOM 0 HD3 LYS A 28 6.685 8.371 -0.617 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.833 9.430 -1.044 1.00 0.00 H new ATOM 0 HE3 LYS A 28 8.609 9.269 0.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 10.841 8.672 -0.019 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 10.048 7.349 0.692 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 10.222 7.428 -0.995 1.00 0.00 H new ATOM 381 N ASP A 29 5.540 7.782 4.863 1.00 0.00 N ATOM 382 CA ASP A 29 5.410 8.510 6.123 1.00 0.00 C ATOM 383 C ASP A 29 5.267 7.562 7.309 1.00 0.00 C ATOM 384 O ASP A 29 5.950 7.707 8.314 1.00 0.00 O ATOM 385 CB ASP A 29 4.216 9.467 6.071 1.00 0.00 C ATOM 386 CG ASP A 29 3.962 10.151 7.394 1.00 0.00 C ATOM 387 OD1 ASP A 29 4.709 11.085 7.749 1.00 0.00 O ATOM 388 OD2 ASP A 29 2.990 9.785 8.086 1.00 0.00 O ATOM 0 H ASP A 29 4.674 7.710 4.329 1.00 0.00 H new ATOM 0 HA ASP A 29 6.324 9.087 6.261 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.393 10.221 5.304 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.325 8.914 5.775 1.00 0.00 H new ATOM 393 N ARG A 30 4.385 6.600 7.183 1.00 0.00 N ATOM 394 CA ARG A 30 4.124 5.652 8.253 1.00 0.00 C ATOM 395 C ARG A 30 5.266 4.670 8.412 1.00 0.00 C ATOM 396 O ARG A 30 5.749 4.435 9.524 1.00 0.00 O ATOM 397 CB ARG A 30 2.814 4.885 8.021 1.00 0.00 C ATOM 398 CG ARG A 30 1.525 5.721 8.030 1.00 0.00 C ATOM 399 CD ARG A 30 1.286 6.420 9.369 1.00 0.00 C ATOM 400 NE ARG A 30 2.135 7.598 9.561 1.00 0.00 N ATOM 401 CZ ARG A 30 2.750 7.957 10.690 1.00 0.00 C ATOM 402 NH1 ARG A 30 2.694 7.191 11.778 1.00 0.00 N ATOM 403 NH2 ARG A 30 3.431 9.086 10.712 1.00 0.00 N ATOM 0 H ARG A 30 3.828 6.448 6.343 1.00 0.00 H new ATOM 0 HA ARG A 30 4.030 6.233 9.170 1.00 0.00 H new ATOM 0 HB2 ARG A 30 2.883 4.373 7.061 1.00 0.00 H new ATOM 0 HB3 ARG A 30 2.728 4.115 8.788 1.00 0.00 H new ATOM 0 HG2 ARG A 30 1.576 6.468 7.238 1.00 0.00 H new ATOM 0 HG3 ARG A 30 0.676 5.075 7.805 1.00 0.00 H new ATOM 0 HD2 ARG A 30 0.240 6.719 9.435 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.467 5.713 10.179 1.00 0.00 H new ATOM 0 HE ARG A 30 2.270 8.204 8.752 1.00 0.00 H new ATOM 0 HH11 ARG A 30 2.175 6.313 11.758 1.00 0.00 H new ATOM 0 HH12 ARG A 30 3.170 7.482 12.632 1.00 0.00 H new ATOM 0 HH21 ARG A 30 3.481 9.668 9.876 1.00 0.00 H new ATOM 0 HH22 ARG A 30 3.908 9.377 11.565 1.00 0.00 H new ATOM 417 N GLU A 31 5.717 4.124 7.319 1.00 0.00 N ATOM 418 CA GLU A 31 6.759 3.140 7.355 1.00 0.00 C ATOM 419 C GLU A 31 8.066 3.800 6.932 1.00 0.00 C ATOM 420 O GLU A 31 8.149 5.017 6.828 1.00 0.00 O ATOM 421 CB GLU A 31 6.436 1.976 6.405 1.00 0.00 C ATOM 422 CG GLU A 31 5.045 1.361 6.560 1.00 0.00 C ATOM 423 CD GLU A 31 4.740 0.892 7.960 1.00 0.00 C ATOM 424 OE1 GLU A 31 5.445 -0.009 8.479 1.00 0.00 O ATOM 425 OE2 GLU A 31 3.756 1.386 8.557 1.00 0.00 O ATOM 0 H GLU A 31 5.375 4.347 6.384 1.00 0.00 H new ATOM 0 HA GLU A 31 6.846 2.742 8.366 1.00 0.00 H new ATOM 0 HB2 GLU A 31 6.546 2.327 5.379 1.00 0.00 H new ATOM 0 HB3 GLU A 31 7.179 1.192 6.555 1.00 0.00 H new ATOM 0 HG2 GLU A 31 4.298 2.096 6.262 1.00 0.00 H new ATOM 0 HG3 GLU A 31 4.953 0.517 5.876 1.00 0.00 H new ATOM 432 N HIS A 32 9.071 3.000 6.679 1.00 0.00 N ATOM 433 CA HIS A 32 10.375 3.504 6.257 1.00 0.00 C ATOM 434 C HIS A 32 10.657 3.040 4.838 1.00 0.00 C ATOM 435 O HIS A 32 11.808 3.012 4.397 1.00 0.00 O ATOM 436 CB HIS A 32 11.496 2.982 7.191 1.00 0.00 C ATOM 437 CG HIS A 32 11.467 3.503 8.608 1.00 0.00 C ATOM 438 ND1 HIS A 32 12.445 4.326 9.146 1.00 0.00 N ATOM 439 CD2 HIS A 32 10.586 3.273 9.615 1.00 0.00 C ATOM 440 CE1 HIS A 32 12.135 4.564 10.425 1.00 0.00 C ATOM 441 NE2 HIS A 32 11.016 3.946 10.761 1.00 0.00 N ATOM 0 H HIS A 32 9.020 1.984 6.756 1.00 0.00 H new ATOM 0 HA HIS A 32 10.357 4.593 6.304 1.00 0.00 H new ATOM 0 HB2 HIS A 32 11.439 1.894 7.223 1.00 0.00 H new ATOM 0 HB3 HIS A 32 12.459 3.238 6.750 1.00 0.00 H new ATOM 0 HD2 HIS A 32 9.695 2.667 9.542 1.00 0.00 H new ATOM 0 HE1 HIS A 32 12.720 5.178 11.093 1.00 0.00 H new ATOM 0 HE2 HIS A 32 10.559 3.958 11.673 1.00 0.00 H new ATOM 449 N PHE A 33 9.605 2.751 4.094 1.00 0.00 N ATOM 450 CA PHE A 33 9.771 2.144 2.795 1.00 0.00 C ATOM 451 C PHE A 33 9.809 3.178 1.701 1.00 0.00 C ATOM 452 O PHE A 33 8.824 3.886 1.454 1.00 0.00 O ATOM 453 CB PHE A 33 8.704 1.071 2.539 1.00 0.00 C ATOM 454 CG PHE A 33 8.720 -0.022 3.580 1.00 0.00 C ATOM 455 CD1 PHE A 33 9.909 -0.643 3.926 1.00 0.00 C ATOM 456 CD2 PHE A 33 7.555 -0.425 4.210 1.00 0.00 C ATOM 457 CE1 PHE A 33 9.940 -1.633 4.880 1.00 0.00 C ATOM 458 CE2 PHE A 33 7.580 -1.421 5.167 1.00 0.00 C ATOM 459 CZ PHE A 33 8.774 -2.024 5.505 1.00 0.00 C ATOM 0 H PHE A 33 8.638 2.926 4.367 1.00 0.00 H new ATOM 0 HA PHE A 33 10.738 1.641 2.787 1.00 0.00 H new ATOM 0 HB2 PHE A 33 7.720 1.539 2.524 1.00 0.00 H new ATOM 0 HB3 PHE A 33 8.864 0.632 1.554 1.00 0.00 H new ATOM 0 HD1 PHE A 33 10.826 -0.345 3.439 1.00 0.00 H new ATOM 0 HD2 PHE A 33 6.617 0.044 3.951 1.00 0.00 H new ATOM 0 HE1 PHE A 33 10.877 -2.104 5.140 1.00 0.00 H new ATOM 0 HE2 PHE A 33 6.664 -1.728 5.651 1.00 0.00 H new ATOM 0 HZ PHE A 33 8.796 -2.800 6.256 1.00 0.00 H new ATOM 469 N ALA A 34 10.948 3.248 1.038 1.00 0.00 N ATOM 470 CA ALA A 34 11.214 4.215 -0.014 1.00 0.00 C ATOM 471 C ALA A 34 10.287 4.000 -1.189 1.00 0.00 C ATOM 472 O ALA A 34 9.869 4.959 -1.845 1.00 0.00 O ATOM 473 CB ALA A 34 12.669 4.126 -0.457 1.00 0.00 C ATOM 0 H ALA A 34 11.732 2.621 1.219 1.00 0.00 H new ATOM 0 HA ALA A 34 11.031 5.214 0.383 1.00 0.00 H new ATOM 0 HB1 ALA A 34 12.855 4.856 -1.245 1.00 0.00 H new ATOM 0 HB2 ALA A 34 13.321 4.334 0.391 1.00 0.00 H new ATOM 0 HB3 ALA A 34 12.874 3.124 -0.834 1.00 0.00 H new ATOM 479 N TYR A 35 9.924 2.747 -1.415 1.00 0.00 N ATOM 480 CA TYR A 35 9.026 2.383 -2.500 1.00 0.00 C ATOM 481 C TYR A 35 7.596 2.828 -2.237 1.00 0.00 C ATOM 482 O TYR A 35 6.771 2.844 -3.153 1.00 0.00 O ATOM 483 CB TYR A 35 9.088 0.884 -2.806 1.00 0.00 C ATOM 484 CG TYR A 35 10.354 0.459 -3.509 1.00 0.00 C ATOM 485 CD1 TYR A 35 11.494 0.092 -2.805 1.00 0.00 C ATOM 486 CD2 TYR A 35 10.406 0.438 -4.890 1.00 0.00 C ATOM 487 CE1 TYR A 35 12.647 -0.280 -3.469 1.00 0.00 C ATOM 488 CE2 TYR A 35 11.544 0.066 -5.554 1.00 0.00 C ATOM 489 CZ TYR A 35 12.662 -0.290 -4.845 1.00 0.00 C ATOM 490 OH TYR A 35 13.800 -0.645 -5.518 1.00 0.00 O ATOM 0 H TYR A 35 10.242 1.957 -0.854 1.00 0.00 H new ATOM 0 HA TYR A 35 9.373 2.919 -3.383 1.00 0.00 H new ATOM 0 HB2 TYR A 35 8.997 0.328 -1.873 1.00 0.00 H new ATOM 0 HB3 TYR A 35 8.232 0.613 -3.423 1.00 0.00 H new ATOM 0 HD1 TYR A 35 11.479 0.098 -1.725 1.00 0.00 H new ATOM 0 HD2 TYR A 35 9.531 0.721 -5.457 1.00 0.00 H new ATOM 0 HE1 TYR A 35 13.529 -0.561 -2.913 1.00 0.00 H new ATOM 0 HE2 TYR A 35 11.561 0.053 -6.634 1.00 0.00 H new ATOM 0 HH TYR A 35 13.637 -0.599 -6.483 1.00 0.00 H new ATOM 500 N GLY A 36 7.305 3.215 -1.006 1.00 0.00 N ATOM 501 CA GLY A 36 5.996 3.704 -0.677 1.00 0.00 C ATOM 502 C GLY A 36 4.953 2.622 -0.670 1.00 0.00 C ATOM 503 O GLY A 36 5.094 1.628 0.037 1.00 0.00 O ATOM 0 H GLY A 36 7.963 3.196 -0.226 1.00 0.00 H new ATOM 0 HA2 GLY A 36 6.027 4.179 0.304 1.00 0.00 H new ATOM 0 HA3 GLY A 36 5.710 4.473 -1.394 1.00 0.00 H new ATOM 507 N GLY A 37 3.936 2.799 -1.463 1.00 0.00 N ATOM 508 CA GLY A 37 2.844 1.888 -1.487 1.00 0.00 C ATOM 509 C GLY A 37 2.020 2.075 -2.723 1.00 0.00 C ATOM 510 O GLY A 37 2.109 3.124 -3.375 1.00 0.00 O ATOM 0 H GLY A 37 3.847 3.583 -2.110 1.00 0.00 H new ATOM 0 HA2 GLY A 37 3.218 0.865 -1.445 1.00 0.00 H new ATOM 0 HA3 GLY A 37 2.222 2.036 -0.604 1.00 0.00 H new ATOM 514 N ALA A 38 1.238 1.086 -3.052 1.00 0.00 N ATOM 515 CA ALA A 38 0.363 1.136 -4.198 1.00 0.00 C ATOM 516 C ALA A 38 -0.966 0.501 -3.832 1.00 0.00 C ATOM 517 O ALA A 38 -1.055 -0.239 -2.837 1.00 0.00 O ATOM 518 CB ALA A 38 0.992 0.449 -5.405 1.00 0.00 C ATOM 0 H ALA A 38 1.187 0.212 -2.529 1.00 0.00 H new ATOM 0 HA ALA A 38 0.198 2.176 -4.479 1.00 0.00 H new ATOM 0 HB1 ALA A 38 0.308 0.504 -6.252 1.00 0.00 H new ATOM 0 HB2 ALA A 38 1.927 0.947 -5.661 1.00 0.00 H new ATOM 0 HB3 ALA A 38 1.191 -0.596 -5.166 1.00 0.00 H new ATOM 524 N CYS A 39 -1.976 0.775 -4.608 1.00 0.00 N ATOM 525 CA CYS A 39 -3.310 0.297 -4.325 1.00 0.00 C ATOM 526 C CYS A 39 -3.550 -1.061 -4.996 1.00 0.00 C ATOM 527 O CYS A 39 -3.335 -1.213 -6.211 1.00 0.00 O ATOM 528 CB CYS A 39 -4.331 1.312 -4.834 1.00 0.00 C ATOM 529 SG CYS A 39 -4.099 3.028 -4.227 1.00 0.00 S ATOM 0 H CYS A 39 -1.903 1.336 -5.457 1.00 0.00 H new ATOM 0 HA CYS A 39 -3.419 0.174 -3.247 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -4.297 1.322 -5.923 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -5.328 0.975 -4.549 1.00 0.00 H new ATOM 534 N HIS A 40 -4.002 -2.025 -4.220 1.00 0.00 N ATOM 535 CA HIS A 40 -4.269 -3.375 -4.706 1.00 0.00 C ATOM 536 C HIS A 40 -5.561 -3.883 -4.052 1.00 0.00 C ATOM 537 O HIS A 40 -5.916 -3.434 -2.955 1.00 0.00 O ATOM 538 CB HIS A 40 -3.062 -4.294 -4.374 1.00 0.00 C ATOM 539 CG HIS A 40 -3.202 -5.737 -4.791 1.00 0.00 C ATOM 540 ND1 HIS A 40 -3.335 -6.778 -3.899 1.00 0.00 N ATOM 541 CD2 HIS A 40 -3.201 -6.302 -6.023 1.00 0.00 C ATOM 542 CE1 HIS A 40 -3.409 -7.913 -4.585 1.00 0.00 C ATOM 543 NE2 HIS A 40 -3.334 -7.688 -5.889 1.00 0.00 N ATOM 0 H HIS A 40 -4.198 -1.899 -3.227 1.00 0.00 H new ATOM 0 HA HIS A 40 -4.401 -3.377 -5.788 1.00 0.00 H new ATOM 0 HB2 HIS A 40 -2.173 -3.882 -4.852 1.00 0.00 H new ATOM 0 HB3 HIS A 40 -2.890 -4.261 -3.298 1.00 0.00 H new ATOM 0 HD2 HIS A 40 -3.112 -5.768 -6.958 1.00 0.00 H new ATOM 0 HE1 HIS A 40 -3.516 -8.891 -4.139 1.00 0.00 H new ATOM 0 HE2 HIS A 40 -3.366 -8.380 -6.638 1.00 0.00 H new ATOM 551 N TYR A 41 -6.276 -4.765 -4.722 1.00 0.00 N ATOM 552 CA TYR A 41 -7.524 -5.278 -4.193 1.00 0.00 C ATOM 553 C TYR A 41 -7.270 -6.405 -3.212 1.00 0.00 C ATOM 554 O TYR A 41 -6.403 -7.255 -3.422 1.00 0.00 O ATOM 555 CB TYR A 41 -8.451 -5.768 -5.320 1.00 0.00 C ATOM 556 CG TYR A 41 -9.889 -6.025 -4.877 1.00 0.00 C ATOM 557 CD1 TYR A 41 -10.298 -7.259 -4.367 1.00 0.00 C ATOM 558 CD2 TYR A 41 -10.835 -5.018 -4.965 1.00 0.00 C ATOM 559 CE1 TYR A 41 -11.598 -7.462 -3.969 1.00 0.00 C ATOM 560 CE2 TYR A 41 -12.135 -5.217 -4.568 1.00 0.00 C ATOM 561 CZ TYR A 41 -12.513 -6.439 -4.072 1.00 0.00 C ATOM 562 OH TYR A 41 -13.810 -6.640 -3.673 1.00 0.00 O ATOM 0 H TYR A 41 -6.014 -5.141 -5.633 1.00 0.00 H new ATOM 0 HA TYR A 41 -8.018 -4.458 -3.672 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -8.455 -5.028 -6.120 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -8.041 -6.687 -5.739 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -9.583 -8.065 -4.284 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -10.544 -4.054 -5.355 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -11.901 -8.422 -3.577 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -12.855 -4.416 -4.646 1.00 0.00 H new ATOM 0 HH TYR A 41 -14.326 -5.818 -3.811 1.00 0.00 H new ATOM 572 N GLN A 42 -8.014 -6.393 -2.162 1.00 0.00 N ATOM 573 CA GLN A 42 -8.011 -7.405 -1.159 1.00 0.00 C ATOM 574 C GLN A 42 -9.401 -7.370 -0.584 1.00 0.00 C ATOM 575 O GLN A 42 -10.131 -6.432 -0.861 1.00 0.00 O ATOM 576 CB GLN A 42 -6.945 -7.081 -0.093 1.00 0.00 C ATOM 577 CG GLN A 42 -6.848 -8.080 1.050 1.00 0.00 C ATOM 578 CD GLN A 42 -5.764 -7.743 2.046 1.00 0.00 C ATOM 579 OE1 GLN A 42 -4.622 -8.179 1.923 1.00 0.00 O ATOM 580 NE2 GLN A 42 -6.098 -6.966 3.025 1.00 0.00 N ATOM 0 H GLN A 42 -8.675 -5.641 -1.968 1.00 0.00 H new ATOM 0 HA GLN A 42 -7.765 -8.394 -1.546 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -5.973 -7.017 -0.582 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -7.158 -6.096 0.323 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -7.806 -8.124 1.567 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -6.660 -9.073 0.641 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -7.055 -6.621 3.099 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -5.404 -6.698 3.723 1.00 0.00 H new ATOM 589 N PHE A 43 -9.798 -8.364 0.136 1.00 0.00 N ATOM 590 CA PHE A 43 -11.094 -8.342 0.750 1.00 0.00 C ATOM 591 C PHE A 43 -11.106 -7.249 1.840 1.00 0.00 C ATOM 592 O PHE A 43 -10.178 -7.194 2.666 1.00 0.00 O ATOM 593 CB PHE A 43 -11.408 -9.728 1.338 1.00 0.00 C ATOM 594 CG PHE A 43 -12.765 -9.868 2.001 1.00 0.00 C ATOM 595 CD1 PHE A 43 -12.941 -9.558 3.345 1.00 0.00 C ATOM 596 CD2 PHE A 43 -13.856 -10.319 1.284 1.00 0.00 C ATOM 597 CE1 PHE A 43 -14.172 -9.693 3.947 1.00 0.00 C ATOM 598 CE2 PHE A 43 -15.091 -10.458 1.883 1.00 0.00 C ATOM 599 CZ PHE A 43 -15.249 -10.143 3.217 1.00 0.00 C ATOM 0 H PHE A 43 -9.249 -9.204 0.317 1.00 0.00 H new ATOM 0 HA PHE A 43 -11.864 -8.110 0.015 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -11.336 -10.466 0.539 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -10.639 -9.975 2.070 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -12.100 -9.206 3.925 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -13.741 -10.566 0.239 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -14.293 -9.446 4.991 1.00 0.00 H new ATOM 0 HE2 PHE A 43 -15.934 -10.813 1.308 1.00 0.00 H new ATOM 0 HZ PHE A 43 -16.215 -10.249 3.687 1.00 0.00 H new ATOM 609 N PRO A 44 -12.112 -6.353 1.862 1.00 0.00 N ATOM 610 CA PRO A 44 -13.217 -6.305 0.903 1.00 0.00 C ATOM 611 C PRO A 44 -13.183 -5.061 -0.030 1.00 0.00 C ATOM 612 O PRO A 44 -14.207 -4.684 -0.592 1.00 0.00 O ATOM 613 CB PRO A 44 -14.386 -6.156 1.877 1.00 0.00 C ATOM 614 CG PRO A 44 -13.838 -5.310 3.014 1.00 0.00 C ATOM 615 CD PRO A 44 -12.323 -5.353 2.907 1.00 0.00 C ATOM 0 HA PRO A 44 -13.229 -7.156 0.222 1.00 0.00 H new ATOM 0 HB2 PRO A 44 -15.239 -5.673 1.400 1.00 0.00 H new ATOM 0 HB3 PRO A 44 -14.728 -7.127 2.236 1.00 0.00 H new ATOM 0 HG2 PRO A 44 -14.201 -4.285 2.942 1.00 0.00 H new ATOM 0 HG3 PRO A 44 -14.168 -5.698 3.978 1.00 0.00 H new ATOM 0 HD2 PRO A 44 -11.907 -4.384 2.632 1.00 0.00 H new ATOM 0 HD3 PRO A 44 -11.857 -5.644 3.848 1.00 0.00 H new ATOM 623 N SER A 45 -12.017 -4.466 -0.221 1.00 0.00 N ATOM 624 CA SER A 45 -11.907 -3.233 -0.972 1.00 0.00 C ATOM 625 C SER A 45 -10.464 -3.044 -1.454 1.00 0.00 C ATOM 626 O SER A 45 -9.546 -3.731 -0.982 1.00 0.00 O ATOM 627 CB SER A 45 -12.336 -2.054 -0.060 1.00 0.00 C ATOM 628 OG SER A 45 -12.300 -0.792 -0.723 1.00 0.00 O ATOM 0 H SER A 45 -11.131 -4.822 0.137 1.00 0.00 H new ATOM 0 HA SER A 45 -12.557 -3.268 -1.846 1.00 0.00 H new ATOM 0 HB2 SER A 45 -13.346 -2.236 0.308 1.00 0.00 H new ATOM 0 HB3 SER A 45 -11.681 -2.019 0.811 1.00 0.00 H new ATOM 0 HG SER A 45 -12.581 -0.088 -0.102 1.00 0.00 H new ATOM 634 N VAL A 46 -10.276 -2.143 -2.403 1.00 0.00 N ATOM 635 CA VAL A 46 -8.951 -1.798 -2.882 1.00 0.00 C ATOM 636 C VAL A 46 -8.244 -1.064 -1.763 1.00 0.00 C ATOM 637 O VAL A 46 -8.679 0.005 -1.352 1.00 0.00 O ATOM 638 CB VAL A 46 -8.999 -0.890 -4.142 1.00 0.00 C ATOM 639 CG1 VAL A 46 -7.596 -0.600 -4.648 1.00 0.00 C ATOM 640 CG2 VAL A 46 -9.814 -1.535 -5.239 1.00 0.00 C ATOM 0 H VAL A 46 -11.033 -1.634 -2.860 1.00 0.00 H new ATOM 0 HA VAL A 46 -8.427 -2.711 -3.166 1.00 0.00 H new ATOM 0 HB VAL A 46 -9.474 0.049 -3.858 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -7.652 0.037 -5.531 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -7.026 -0.093 -3.870 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -7.102 -1.536 -4.907 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -9.833 -0.881 -6.111 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -9.365 -2.490 -5.512 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -10.832 -1.700 -4.887 1.00 0.00 H new ATOM 650 N LYS A 47 -7.182 -1.625 -1.285 1.00 0.00 N ATOM 651 CA LYS A 47 -6.507 -1.107 -0.137 1.00 0.00 C ATOM 652 C LYS A 47 -5.100 -0.650 -0.522 1.00 0.00 C ATOM 653 O LYS A 47 -4.623 -0.946 -1.625 1.00 0.00 O ATOM 654 CB LYS A 47 -6.468 -2.207 0.936 1.00 0.00 C ATOM 655 CG LYS A 47 -6.009 -1.764 2.310 1.00 0.00 C ATOM 656 CD LYS A 47 -6.091 -2.903 3.295 1.00 0.00 C ATOM 657 CE LYS A 47 -5.892 -2.421 4.715 1.00 0.00 C ATOM 658 NZ LYS A 47 -6.991 -1.528 5.162 1.00 0.00 N ATOM 0 H LYS A 47 -6.754 -2.462 -1.682 1.00 0.00 H new ATOM 0 HA LYS A 47 -7.034 -0.240 0.261 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -7.466 -2.637 1.027 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -5.808 -3.003 0.591 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -4.984 -1.398 2.255 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -6.626 -0.934 2.655 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -7.061 -3.392 3.208 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -5.335 -3.650 3.053 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -5.829 -3.280 5.383 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -4.943 -1.891 4.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -7.291 -1.800 6.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -6.656 -0.543 5.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -7.796 -1.614 4.509 1.00 0.00 H new ATOM 672 N CYS A 48 -4.468 0.074 0.364 1.00 0.00 N ATOM 673 CA CYS A 48 -3.123 0.556 0.167 1.00 0.00 C ATOM 674 C CYS A 48 -2.162 -0.474 0.715 1.00 0.00 C ATOM 675 O CYS A 48 -2.342 -0.971 1.847 1.00 0.00 O ATOM 676 CB CYS A 48 -2.944 1.892 0.893 1.00 0.00 C ATOM 677 SG CYS A 48 -1.275 2.607 0.831 1.00 0.00 S ATOM 0 H CYS A 48 -4.878 0.350 1.256 1.00 0.00 H new ATOM 0 HA CYS A 48 -2.927 0.712 -0.894 1.00 0.00 H new ATOM 0 HB2 CYS A 48 -3.643 2.612 0.468 1.00 0.00 H new ATOM 0 HB3 CYS A 48 -3.222 1.756 1.938 1.00 0.00 H new ATOM 682 N PHE A 49 -1.200 -0.848 -0.075 1.00 0.00 N ATOM 683 CA PHE A 49 -0.219 -1.809 0.336 1.00 0.00 C ATOM 684 C PHE A 49 1.156 -1.232 0.184 1.00 0.00 C ATOM 685 O PHE A 49 1.578 -0.889 -0.934 1.00 0.00 O ATOM 686 CB PHE A 49 -0.327 -3.113 -0.455 1.00 0.00 C ATOM 687 CG PHE A 49 -1.596 -3.876 -0.234 1.00 0.00 C ATOM 688 CD1 PHE A 49 -2.749 -3.547 -0.912 1.00 0.00 C ATOM 689 CD2 PHE A 49 -1.629 -4.925 0.655 1.00 0.00 C ATOM 690 CE1 PHE A 49 -3.910 -4.249 -0.702 1.00 0.00 C ATOM 691 CE2 PHE A 49 -2.785 -5.630 0.868 1.00 0.00 C ATOM 692 CZ PHE A 49 -3.926 -5.289 0.189 1.00 0.00 C ATOM 0 H PHE A 49 -1.073 -0.495 -1.024 1.00 0.00 H new ATOM 0 HA PHE A 49 -0.407 -2.043 1.384 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -0.236 -2.886 -1.517 1.00 0.00 H new ATOM 0 HB3 PHE A 49 0.516 -3.752 -0.192 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -2.740 -2.728 -1.616 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -0.732 -5.197 1.192 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -4.809 -3.982 -1.238 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -2.797 -6.452 1.569 1.00 0.00 H new ATOM 0 HZ PHE A 49 -4.839 -5.841 0.357 1.00 0.00 H new ATOM 702 N CYS A 50 1.840 -1.134 1.286 1.00 0.00 N ATOM 703 CA CYS A 50 3.168 -0.598 1.346 1.00 0.00 C ATOM 704 C CYS A 50 4.122 -1.582 0.723 1.00 0.00 C ATOM 705 O CYS A 50 4.151 -2.756 1.097 1.00 0.00 O ATOM 706 CB CYS A 50 3.549 -0.333 2.794 1.00 0.00 C ATOM 707 SG CYS A 50 2.352 0.713 3.683 1.00 0.00 S ATOM 0 H CYS A 50 1.480 -1.433 2.192 1.00 0.00 H new ATOM 0 HA CYS A 50 3.215 0.343 0.798 1.00 0.00 H new ATOM 0 HB2 CYS A 50 3.645 -1.285 3.316 1.00 0.00 H new ATOM 0 HB3 CYS A 50 4.528 0.146 2.822 1.00 0.00 H new ATOM 712 N LYS A 51 4.880 -1.122 -0.217 1.00 0.00 N ATOM 713 CA LYS A 51 5.759 -1.964 -0.961 1.00 0.00 C ATOM 714 C LYS A 51 7.136 -1.899 -0.350 1.00 0.00 C ATOM 715 O LYS A 51 7.826 -0.889 -0.462 1.00 0.00 O ATOM 716 CB LYS A 51 5.797 -1.505 -2.422 1.00 0.00 C ATOM 717 CG LYS A 51 4.408 -1.336 -3.032 1.00 0.00 C ATOM 718 CD LYS A 51 4.456 -0.824 -4.459 1.00 0.00 C ATOM 719 CE LYS A 51 4.941 -1.884 -5.425 1.00 0.00 C ATOM 720 NZ LYS A 51 3.989 -3.006 -5.543 1.00 0.00 N ATOM 0 H LYS A 51 4.907 -0.141 -0.493 1.00 0.00 H new ATOM 0 HA LYS A 51 5.404 -2.994 -0.931 1.00 0.00 H new ATOM 0 HB2 LYS A 51 6.333 -0.558 -2.485 1.00 0.00 H new ATOM 0 HB3 LYS A 51 6.360 -2.230 -3.010 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.887 -2.293 -3.011 1.00 0.00 H new ATOM 0 HG3 LYS A 51 3.829 -0.644 -2.421 1.00 0.00 H new ATOM 0 HD2 LYS A 51 3.463 -0.488 -4.758 1.00 0.00 H new ATOM 0 HD3 LYS A 51 5.115 0.043 -4.511 1.00 0.00 H new ATOM 0 HE2 LYS A 51 5.096 -1.436 -6.406 1.00 0.00 H new ATOM 0 HE3 LYS A 51 5.907 -2.263 -5.092 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 4.254 -3.602 -6.353 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.013 -3.574 -4.672 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 3.029 -2.633 -5.687 1.00 0.00 H new ATOM 734 N ARG A 52 7.501 -2.930 0.348 1.00 0.00 N ATOM 735 CA ARG A 52 8.804 -2.991 0.946 1.00 0.00 C ATOM 736 C ARG A 52 9.723 -3.796 0.070 1.00 0.00 C ATOM 737 O ARG A 52 9.286 -4.732 -0.595 1.00 0.00 O ATOM 738 CB ARG A 52 8.759 -3.573 2.354 1.00 0.00 C ATOM 739 CG ARG A 52 8.289 -5.001 2.464 1.00 0.00 C ATOM 740 CD ARG A 52 8.373 -5.484 3.896 1.00 0.00 C ATOM 741 NE ARG A 52 9.748 -5.427 4.422 1.00 0.00 N ATOM 742 CZ ARG A 52 10.148 -5.970 5.577 1.00 0.00 C ATOM 743 NH1 ARG A 52 9.278 -6.614 6.349 1.00 0.00 N ATOM 744 NH2 ARG A 52 11.414 -5.849 5.964 1.00 0.00 N ATOM 0 H ARG A 52 6.913 -3.746 0.520 1.00 0.00 H new ATOM 0 HA ARG A 52 9.184 -1.973 1.034 1.00 0.00 H new ATOM 0 HB2 ARG A 52 9.758 -3.506 2.786 1.00 0.00 H new ATOM 0 HB3 ARG A 52 8.106 -2.948 2.963 1.00 0.00 H new ATOM 0 HG2 ARG A 52 7.262 -5.079 2.108 1.00 0.00 H new ATOM 0 HG3 ARG A 52 8.897 -5.640 1.823 1.00 0.00 H new ATOM 0 HD2 ARG A 52 7.721 -4.875 4.522 1.00 0.00 H new ATOM 0 HD3 ARG A 52 8.005 -6.509 3.954 1.00 0.00 H new ATOM 0 HE ARG A 52 10.447 -4.937 3.864 1.00 0.00 H new ATOM 0 HH11 ARG A 52 8.303 -6.695 6.061 1.00 0.00 H new ATOM 0 HH12 ARG A 52 9.586 -7.027 7.229 1.00 0.00 H new ATOM 0 HH21 ARG A 52 12.080 -5.342 5.380 1.00 0.00 H new ATOM 0 HH22 ARG A 52 11.720 -6.263 6.845 1.00 0.00 H new ATOM 758 N GLN A 53 10.970 -3.443 0.064 1.00 0.00 N ATOM 759 CA GLN A 53 11.943 -4.107 -0.754 1.00 0.00 C ATOM 760 C GLN A 53 12.386 -5.402 -0.089 1.00 0.00 C ATOM 761 O GLN A 53 12.883 -5.396 1.049 1.00 0.00 O ATOM 762 CB GLN A 53 13.123 -3.182 -0.982 1.00 0.00 C ATOM 763 CG GLN A 53 14.180 -3.713 -1.922 1.00 0.00 C ATOM 764 CD GLN A 53 15.321 -2.742 -2.066 1.00 0.00 C ATOM 765 OE1 GLN A 53 15.636 -1.995 -1.136 1.00 0.00 O ATOM 766 NE2 GLN A 53 15.935 -2.724 -3.210 1.00 0.00 N ATOM 0 H GLN A 53 11.347 -2.682 0.629 1.00 0.00 H new ATOM 0 HA GLN A 53 11.503 -4.357 -1.719 1.00 0.00 H new ATOM 0 HB2 GLN A 53 12.752 -2.235 -1.374 1.00 0.00 H new ATOM 0 HB3 GLN A 53 13.589 -2.968 -0.020 1.00 0.00 H new ATOM 0 HG2 GLN A 53 14.555 -4.666 -1.549 1.00 0.00 H new ATOM 0 HG3 GLN A 53 13.737 -3.905 -2.899 1.00 0.00 H new ATOM 0 HE21 GLN A 53 15.645 -3.358 -3.955 1.00 0.00 H new ATOM 0 HE22 GLN A 53 16.708 -2.076 -3.364 1.00 0.00 H new ATOM 775 N CYS A 54 12.200 -6.485 -0.776 1.00 0.00 N ATOM 776 CA CYS A 54 12.551 -7.773 -0.280 1.00 0.00 C ATOM 777 C CYS A 54 13.614 -8.384 -1.176 1.00 0.00 C ATOM 778 O CYS A 54 14.826 -8.210 -0.860 1.00 0.00 O ATOM 779 CB CYS A 54 11.309 -8.662 -0.184 1.00 0.00 C ATOM 780 SG CYS A 54 10.007 -7.987 0.913 1.00 0.00 S ATOM 781 OXT CYS A 54 13.276 -8.997 -2.207 1.00 0.00 O ATOM 0 H CYS A 54 11.794 -6.496 -1.711 1.00 0.00 H new ATOM 0 HA CYS A 54 12.962 -7.682 0.725 1.00 0.00 H new ATOM 0 HB2 CYS A 54 10.895 -8.802 -1.182 1.00 0.00 H new ATOM 0 HB3 CYS A 54 11.604 -9.646 0.179 1.00 0.00 H new TER 786 CYS A 54