USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 629 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 62 GLN : amide:sc= -0.0873 K(o=0.56,f=-1.3!) USER MOD Set 1.2: A 65 SER OG : rot 90:sc= 0.644 USER MOD Set 2.1: A 6 LYS NZ :NH3+ 174:sc= 0.697 (180deg=-0.339) USER MOD Set 2.2: A 12 THR OG1 : rot 166:sc= 0.781 USER MOD Single : A 1 MET CE :methyl -126:sc= 0 (180deg=-0.017) USER MOD Single : A 1 MET N :NH3+ -154:sc= 2.33 (180deg=2.27) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.011) USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.321 USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 LYS NZ :NH3+ 158:sc= 1.05 (180deg=-0.00566!) USER MOD Single : A 14 THR OG1 : rot -85:sc= 0.103 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 22 THR OG1 : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -158:sc= 2.2 (180deg=0.429!) USER MOD Single : A 29 LYS NZ :NH3+ 168:sc= 1.11 (180deg=0.993) USER MOD Single : A 31 GLN : amide:sc= -0.0225 X(o=-0.022,f=-0.062) USER MOD Single : A 33 LYS NZ :NH3+ -163:sc= -0.0241 (180deg=-0.52) USER MOD Single : A 40 GLN : amide:sc= -0.748 K(o=-0.75,f=-5.7!) USER MOD Single : A 41 GLN : amide:sc= 1.39 K(o=1.4,f=-3!) USER MOD Single : A 48 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0478) USER MOD Single : A 49 GLN : amide:sc= -0.334 K(o=-0.33,f=-1.2) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 50:sc= 0.894 USER MOD Single : A 60 ASN : amide:sc= -0.218 X(o=-0.22,f=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HE2:sc= 1.15 K(o=1.2,f=-3.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.389 -7.043 -4.786 1.00 9.67 N ATOM 2 CA MET A 1 11.488 -7.398 -3.334 1.00 10.38 C ATOM 3 C MET A 1 10.140 -7.683 -2.765 1.00 9.62 C ATOM 4 O MET A 1 9.069 -7.209 -3.136 1.00 9.62 O ATOM 5 CB MET A 1 12.261 -6.361 -2.455 1.00 13.77 C ATOM 6 CG MET A 1 11.521 -4.970 -2.030 1.00 16.29 C ATOM 7 SD MET A 1 12.620 -3.664 -1.510 1.00 17.17 S ATOM 8 CE MET A 1 11.280 -2.577 -1.236 1.00 16.11 C ATOM 0 H1 MET A 1 12.284 -7.275 -5.262 1.00 9.67 H new ATOM 0 H2 MET A 1 10.615 -7.582 -5.223 1.00 9.67 H new ATOM 0 H3 MET A 1 11.199 -6.025 -4.882 1.00 9.67 H new ATOM 0 HA MET A 1 12.095 -8.302 -3.301 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.560 -6.867 -1.537 1.00 13.77 H new ATOM 0 HB3 MET A 1 13.175 -6.097 -2.986 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.933 -4.615 -2.876 1.00 16.29 H new ATOM 0 HG3 MET A 1 10.821 -5.180 -1.221 1.00 16.29 H new ATOM 0 HE1 MET A 1 11.442 -1.653 -1.791 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.356 -3.046 -1.574 1.00 16.11 H new ATOM 0 HE3 MET A 1 11.205 -2.353 -0.172 1.00 16.11 H new ATOM 20 N GLN A 2 10.119 -8.510 -1.684 1.00 9.27 N ATOM 21 CA GLN A 2 8.912 -8.893 -1.032 1.00 9.07 C ATOM 22 C GLN A 2 8.399 -7.874 0.036 1.00 8.72 C ATOM 23 O GLN A 2 9.137 -7.452 0.929 1.00 8.22 O ATOM 24 CB GLN A 2 9.235 -10.242 -0.380 1.00 14.46 C ATOM 25 CG GLN A 2 8.044 -10.870 0.404 1.00 17.01 C ATOM 26 CD GLN A 2 8.427 -12.257 0.938 1.00 20.10 C ATOM 27 OE1 GLN A 2 9.096 -12.387 1.966 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.900 -13.322 0.354 1.00 19.49 N ATOM 0 H GLN A 2 10.959 -8.911 -1.267 1.00 9.27 H new ATOM 0 HA GLN A 2 8.099 -8.938 -1.757 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.555 -10.940 -1.153 1.00 14.46 H new ATOM 0 HB3 GLN A 2 10.076 -10.112 0.301 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.762 -10.220 1.232 1.00 17.01 H new ATOM 0 HG3 GLN A 2 7.174 -10.952 -0.248 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.347 -13.216 -0.496 1.00 19.49 H new ATOM 0 HE22 GLN A 2 8.047 -14.249 0.754 1.00 19.49 H new ATOM 37 N ILE A 3 7.142 -7.456 -0.039 1.00 5.87 N ATOM 38 CA ILE A 3 6.461 -6.778 1.042 1.00 5.07 C ATOM 39 C ILE A 3 5.198 -7.418 1.418 1.00 4.01 C ATOM 40 O ILE A 3 4.730 -8.277 0.701 1.00 4.61 O ATOM 41 CB ILE A 3 6.351 -5.273 0.801 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.465 -4.977 -0.396 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.685 -4.514 0.797 1.00 5.58 C ATOM 44 CD1 ILE A 3 5.004 -3.499 -0.462 1.00 10.83 C ATOM 0 H ILE A 3 6.563 -7.584 -0.869 1.00 5.87 H new ATOM 0 HA ILE A 3 7.092 -6.886 1.925 1.00 5.07 H new ATOM 0 HB ILE A 3 5.854 -4.863 1.680 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.005 -5.224 -1.310 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.588 -5.623 -0.360 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.500 -3.455 0.618 1.00 5.58 H new ATOM 0 HG22 ILE A 3 8.178 -4.639 1.761 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.326 -4.909 0.009 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.374 -3.353 -1.340 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.437 -3.254 0.436 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.876 -2.849 -0.529 1.00 10.83 H new ATOM 56 N PHE A 4 4.592 -7.054 2.570 1.00 4.55 N ATOM 57 CA PHE A 4 3.451 -7.731 3.053 1.00 4.68 C ATOM 58 C PHE A 4 2.459 -6.613 3.379 1.00 5.30 C ATOM 59 O PHE A 4 2.884 -5.537 3.790 1.00 5.58 O ATOM 60 CB PHE A 4 3.591 -8.489 4.456 1.00 4.83 C ATOM 61 CG PHE A 4 4.372 -9.726 4.266 1.00 7.97 C ATOM 62 CD1 PHE A 4 3.772 -10.974 3.867 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.701 -9.682 4.506 1.00 8.34 C ATOM 64 CE1 PHE A 4 4.549 -12.073 3.559 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.517 -10.761 4.170 1.00 10.61 C ATOM 66 CZ PHE A 4 5.945 -11.942 3.723 1.00 8.90 C ATOM 0 H PHE A 4 4.906 -6.283 3.160 1.00 4.55 H new ATOM 0 HA PHE A 4 3.201 -8.476 2.297 1.00 4.68 H new ATOM 0 HB2 PHE A 4 4.082 -7.843 5.184 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.604 -8.726 4.855 1.00 4.83 H new ATOM 0 HD1 PHE A 4 2.696 -11.051 3.808 1.00 6.69 H new ATOM 0 HD2 PHE A 4 6.134 -8.804 4.962 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.107 -12.994 3.208 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.590 -10.677 4.258 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.583 -12.783 3.495 1.00 8.90 H new ATOM 76 N VAL A 5 1.186 -6.816 3.085 1.00 4.44 N ATOM 77 CA VAL A 5 0.143 -5.819 3.297 1.00 3.87 C ATOM 78 C VAL A 5 -0.911 -6.466 4.156 1.00 4.93 C ATOM 79 O VAL A 5 -1.522 -7.446 3.735 1.00 6.84 O ATOM 80 CB VAL A 5 -0.485 -5.349 1.979 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.587 -4.293 2.201 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.581 -4.700 1.125 1.00 9.13 C ATOM 0 H VAL A 5 0.840 -7.689 2.687 1.00 4.44 H new ATOM 0 HA VAL A 5 0.574 -4.937 3.771 1.00 3.87 H new ATOM 0 HB VAL A 5 -0.920 -6.227 1.502 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.001 -3.992 1.239 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.378 -4.717 2.820 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.162 -3.423 2.702 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.140 -4.364 0.186 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.002 -3.846 1.655 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.370 -5.422 0.917 1.00 9.13 H new ATOM 92 N LYS A 6 -1.177 -5.917 5.342 1.00 6.04 N ATOM 93 CA LYS A 6 -2.193 -6.403 6.180 1.00 6.12 C ATOM 94 C LYS A 6 -3.458 -5.675 6.011 1.00 6.57 C ATOM 95 O LYS A 6 -3.497 -4.439 6.054 1.00 5.76 O ATOM 96 CB LYS A 6 -1.793 -6.191 7.654 1.00 7.45 C ATOM 97 CG LYS A 6 -0.716 -7.137 8.183 1.00 11.12 C ATOM 98 CD LYS A 6 -1.321 -8.463 8.661 1.00 14.54 C ATOM 99 CE LYS A 6 -0.294 -9.351 9.387 1.00 18.84 C ATOM 100 NZ LYS A 6 0.579 -10.064 8.426 1.00 20.55 N ATOM 0 H LYS A 6 -0.670 -5.117 5.721 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.324 -7.453 5.918 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -1.443 -5.166 7.774 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -2.683 -6.298 8.274 1.00 7.45 H new ATOM 0 HG2 LYS A 6 0.017 -7.331 7.400 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.184 -6.661 9.006 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -2.156 -8.257 9.330 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -1.724 -9.004 7.805 1.00 14.54 H new ATOM 0 HE2 LYS A 6 0.316 -8.737 10.049 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -0.815 -10.075 10.014 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 1.323 -10.573 8.945 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 0.012 -10.743 7.879 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 1.016 -9.377 7.779 1.00 20.55 H new ATOM 114 N THR A 7 -4.599 -6.429 5.954 1.00 7.41 N ATOM 115 CA THR A 7 -5.905 -5.799 5.851 1.00 7.48 C ATOM 116 C THR A 7 -6.418 -5.422 7.214 1.00 8.75 C ATOM 117 O THR A 7 -5.904 -5.931 8.229 1.00 8.58 O ATOM 118 CB THR A 7 -6.922 -6.542 4.978 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.341 -7.750 5.578 1.00 11.78 O ATOM 120 CG2 THR A 7 -6.215 -6.919 3.688 1.00 9.17 C ATOM 0 H THR A 7 -4.617 -7.449 5.979 1.00 7.41 H new ATOM 0 HA THR A 7 -5.758 -4.877 5.289 1.00 7.48 H new ATOM 0 HB THR A 7 -7.788 -5.898 4.827 1.00 9.61 H new ATOM 0 HG1 THR A 7 -7.990 -8.197 4.995 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.907 -7.452 3.036 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.867 -6.016 3.187 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.363 -7.560 3.914 1.00 9.17 H new ATOM 128 N LEU A 8 -7.500 -4.615 7.420 1.00 9.84 N ATOM 129 CA LEU A 8 -8.183 -4.340 8.656 1.00 14.15 C ATOM 130 C LEU A 8 -8.800 -5.622 9.295 1.00 17.37 C ATOM 131 O LEU A 8 -8.789 -5.833 10.512 1.00 17.01 O ATOM 132 CB LEU A 8 -9.379 -3.317 8.628 1.00 16.63 C ATOM 133 CG LEU A 8 -8.866 -1.973 8.106 1.00 18.88 C ATOM 134 CD1 LEU A 8 -10.017 -0.994 7.735 1.00 19.31 C ATOM 135 CD2 LEU A 8 -7.901 -1.295 9.175 1.00 18.59 C ATOM 0 H LEU A 8 -7.928 -4.114 6.642 1.00 9.84 H new ATOM 0 HA LEU A 8 -7.360 -3.901 9.221 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -10.179 -3.690 7.989 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -9.798 -3.199 9.627 1.00 16.63 H new ATOM 0 HG LEU A 8 -8.312 -2.182 7.191 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -9.595 -0.057 7.371 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -10.637 -1.439 6.957 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -10.627 -0.798 8.617 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -7.544 -0.340 8.789 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -8.446 -1.130 10.104 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -7.051 -1.950 9.365 1.00 18.59 H new ATOM 147 N THR A 9 -9.348 -6.521 8.462 1.00 18.33 N ATOM 148 CA THR A 9 -10.011 -7.736 8.971 1.00 19.24 C ATOM 149 C THR A 9 -9.052 -8.886 8.943 1.00 19.48 C ATOM 150 O THR A 9 -9.450 -10.039 9.125 1.00 23.14 O ATOM 151 CB THR A 9 -11.358 -8.024 8.261 1.00 18.97 C ATOM 152 OG1 THR A 9 -11.180 -7.931 6.857 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.392 -6.969 8.706 1.00 19.70 C ATOM 0 H THR A 9 -9.347 -6.434 7.446 1.00 18.33 H new ATOM 0 HA THR A 9 -10.290 -7.572 10.012 1.00 19.24 H new ATOM 0 HB THR A 9 -11.705 -9.024 8.521 1.00 18.97 H new ATOM 0 HG1 THR A 9 -12.031 -8.115 6.407 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.344 -7.162 8.212 1.00 19.70 H new ATOM 0 HG22 THR A 9 -12.526 -7.024 9.786 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.037 -5.975 8.434 1.00 19.70 H new ATOM 161 N GLY A 10 -7.677 -8.708 8.846 1.00 19.43 N ATOM 162 CA GLY A 10 -6.745 -9.735 9.383 1.00 18.74 C ATOM 163 C GLY A 10 -6.109 -10.557 8.308 1.00 17.62 C ATOM 164 O GLY A 10 -5.413 -11.543 8.594 1.00 19.74 O ATOM 0 H GLY A 10 -7.227 -7.898 8.420 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -5.967 -9.243 9.967 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -7.287 -10.391 10.063 1.00 18.74 H new ATOM 168 N LYS A 11 -6.265 -10.152 7.034 1.00 13.56 N ATOM 169 CA LYS A 11 -5.741 -10.892 5.935 1.00 11.91 C ATOM 170 C LYS A 11 -4.328 -10.391 5.653 1.00 10.18 C ATOM 171 O LYS A 11 -3.944 -9.263 5.887 1.00 9.10 O ATOM 172 CB LYS A 11 -6.688 -10.782 4.696 1.00 13.43 C ATOM 173 CG LYS A 11 -6.376 -11.747 3.546 1.00 16.69 C ATOM 174 CD LYS A 11 -7.497 -11.598 2.484 1.00 17.92 C ATOM 175 CE LYS A 11 -7.299 -12.409 1.202 1.00 20.81 C ATOM 176 NZ LYS A 11 -8.337 -12.192 0.120 1.00 21.93 N ATOM 0 H LYS A 11 -6.761 -9.301 6.767 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.686 -11.954 6.173 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.712 -10.955 5.026 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.644 -9.762 4.315 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -5.404 -11.519 3.109 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -6.329 -12.773 3.911 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -8.444 -11.891 2.937 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -7.584 -10.545 2.218 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -6.318 -12.171 0.791 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -7.288 -13.468 1.462 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.941 -12.468 -0.801 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -9.177 -12.771 0.323 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -8.607 -11.188 0.094 1.00 21.93 H new ATOM 190 N THR A 12 -3.521 -11.284 5.054 1.00 9.63 N ATOM 191 CA THR A 12 -2.112 -10.934 4.767 1.00 9.85 C ATOM 192 C THR A 12 -1.950 -11.184 3.315 1.00 11.66 C ATOM 193 O THR A 12 -2.016 -12.297 2.847 1.00 12.33 O ATOM 194 CB THR A 12 -1.129 -11.773 5.616 1.00 10.85 C ATOM 195 OG1 THR A 12 -1.371 -11.677 7.026 1.00 10.91 O ATOM 196 CG2 THR A 12 0.319 -11.300 5.413 1.00 9.63 C ATOM 0 H THR A 12 -3.802 -12.221 4.767 1.00 9.63 H new ATOM 0 HA THR A 12 -1.886 -9.899 5.025 1.00 9.85 H new ATOM 0 HB THR A 12 -1.283 -12.798 5.278 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.880 -12.387 7.491 1.00 10.91 H new ATOM 0 HG21 THR A 12 0.989 -11.907 6.022 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.591 -11.402 4.362 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.406 -10.255 5.711 1.00 9.63 H new ATOM 204 N ILE A 13 -1.674 -10.191 2.522 1.00 10.42 N ATOM 205 CA ILE A 13 -1.426 -10.264 1.064 1.00 11.84 C ATOM 206 C ILE A 13 0.079 -10.057 0.900 1.00 10.55 C ATOM 207 O ILE A 13 0.715 -9.180 1.419 1.00 11.92 O ATOM 208 CB ILE A 13 -2.112 -9.171 0.317 1.00 14.86 C ATOM 209 CG1 ILE A 13 -3.605 -9.198 0.714 1.00 14.87 C ATOM 210 CG2 ILE A 13 -1.863 -9.291 -1.197 1.00 17.08 C ATOM 211 CD1 ILE A 13 -4.334 -7.872 0.409 1.00 16.46 C ATOM 0 H ILE A 13 -1.606 -9.236 2.873 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.795 -11.213 0.675 1.00 11.84 H new ATOM 0 HB ILE A 13 -1.706 -8.195 0.583 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -4.102 -10.010 0.183 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -3.688 -9.416 1.779 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -2.376 -8.481 -1.715 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -0.793 -9.230 -1.396 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -2.244 -10.248 -1.554 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -5.378 -7.953 0.710 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.859 -7.061 0.961 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.280 -7.664 -0.660 1.00 16.46 H new ATOM 223 N THR A 14 0.719 -10.938 0.100 1.00 9.39 N ATOM 224 CA THR A 14 2.131 -10.914 -0.221 1.00 9.63 C ATOM 225 C THR A 14 2.413 -10.296 -1.576 1.00 11.20 C ATOM 226 O THR A 14 1.846 -10.738 -2.582 1.00 11.63 O ATOM 227 CB THR A 14 2.886 -12.280 -0.200 1.00 10.38 C ATOM 228 OG1 THR A 14 2.429 -13.061 0.896 1.00 16.30 O ATOM 229 CG2 THR A 14 4.367 -12.148 -0.029 1.00 11.66 C ATOM 0 H THR A 14 0.229 -11.711 -0.350 1.00 9.39 H new ATOM 0 HA THR A 14 2.512 -10.309 0.602 1.00 9.63 H new ATOM 0 HB THR A 14 2.682 -12.739 -1.167 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.921 -12.809 1.705 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.822 -13.138 -0.024 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.778 -11.564 -0.853 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.581 -11.646 0.914 1.00 11.66 H new ATOM 237 N LEU A 15 3.307 -9.276 -1.666 1.00 8.29 N ATOM 238 CA LEU A 15 3.577 -8.612 -2.902 1.00 9.03 C ATOM 239 C LEU A 15 5.041 -8.609 -3.231 1.00 8.59 C ATOM 240 O LEU A 15 5.925 -8.827 -2.385 1.00 7.79 O ATOM 241 CB LEU A 15 3.143 -7.122 -2.951 1.00 11.08 C ATOM 242 CG LEU A 15 1.785 -6.832 -2.445 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.474 -5.346 -2.442 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.697 -7.471 -3.254 1.00 15.27 C ATOM 0 H LEU A 15 3.840 -8.918 -0.873 1.00 8.29 H new ATOM 0 HA LEU A 15 2.988 -9.189 -3.615 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.858 -6.535 -2.375 1.00 11.08 H new ATOM 0 HB3 LEU A 15 3.207 -6.778 -3.983 1.00 11.08 H new ATOM 0 HG LEU A 15 1.799 -7.241 -1.435 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.465 -5.186 -2.062 1.00 15.88 H new ATOM 0 HD12 LEU A 15 2.189 -4.826 -1.804 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.545 -4.957 -3.458 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.272 -7.216 -2.826 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.747 -7.109 -4.281 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.824 -8.553 -3.244 1.00 15.27 H new ATOM 256 N GLU A 16 5.266 -8.430 -4.514 1.00 11.04 N ATOM 257 CA GLU A 16 6.513 -8.316 -5.181 1.00 11.50 C ATOM 258 C GLU A 16 6.620 -6.927 -5.862 1.00 10.13 C ATOM 259 O GLU A 16 6.055 -6.693 -6.913 1.00 9.83 O ATOM 260 CB GLU A 16 6.583 -9.485 -6.172 1.00 17.22 C ATOM 261 CG GLU A 16 7.788 -9.574 -7.096 1.00 23.33 C ATOM 262 CD GLU A 16 9.054 -9.794 -6.339 1.00 26.99 C ATOM 263 OE1 GLU A 16 9.334 -10.982 -5.995 1.00 28.86 O ATOM 264 OE2 GLU A 16 9.885 -8.858 -6.069 1.00 28.90 O ATOM 0 H GLU A 16 4.489 -8.355 -5.170 1.00 11.04 H new ATOM 0 HA GLU A 16 7.361 -8.375 -4.499 1.00 11.50 H new ATOM 0 HB2 GLU A 16 6.534 -10.411 -5.599 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.689 -9.448 -6.794 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.643 -10.389 -7.805 1.00 23.33 H new ATOM 0 HG3 GLU A 16 7.868 -8.656 -7.678 1.00 23.33 H new ATOM 271 N VAL A 17 7.413 -6.055 -5.245 1.00 8.99 N ATOM 272 CA VAL A 17 7.501 -4.656 -5.547 1.00 8.85 C ATOM 273 C VAL A 17 8.990 -4.214 -5.737 1.00 8.04 C ATOM 274 O VAL A 17 9.929 -4.887 -5.202 1.00 8.99 O ATOM 275 CB VAL A 17 6.891 -3.756 -4.485 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.325 -4.042 -4.303 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.609 -4.041 -3.134 1.00 10.54 C ATOM 0 H VAL A 17 8.036 -6.333 -4.487 1.00 8.99 H new ATOM 0 HA VAL A 17 6.930 -4.538 -6.468 1.00 8.85 H new ATOM 0 HB VAL A 17 7.016 -2.718 -4.793 1.00 9.78 H new ATOM 0 HG11 VAL A 17 4.921 -3.381 -3.536 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.810 -3.861 -5.246 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.177 -5.079 -4.003 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.186 -3.405 -2.356 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.471 -5.087 -2.862 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.674 -3.830 -3.236 1.00 10.54 H new ATOM 287 N GLU A 18 9.256 -3.164 -6.539 1.00 7.29 N ATOM 288 CA GLU A 18 10.611 -2.672 -6.672 1.00 7.08 C ATOM 289 C GLU A 18 10.583 -1.244 -6.159 1.00 6.45 C ATOM 290 O GLU A 18 9.571 -0.565 -6.127 1.00 5.28 O ATOM 291 CB GLU A 18 11.092 -2.824 -8.163 1.00 10.28 C ATOM 292 CG GLU A 18 10.991 -4.261 -8.537 1.00 12.65 C ATOM 293 CD GLU A 18 11.572 -4.493 -9.954 1.00 14.15 C ATOM 294 OE1 GLU A 18 12.795 -4.584 -10.132 1.00 18.17 O ATOM 295 OE2 GLU A 18 10.769 -4.636 -10.895 1.00 14.33 O ATOM 0 H GLU A 18 8.558 -2.661 -7.086 1.00 7.29 H new ATOM 0 HA GLU A 18 11.339 -3.238 -6.091 1.00 7.08 H new ATOM 0 HB2 GLU A 18 10.477 -2.214 -8.825 1.00 10.28 H new ATOM 0 HB3 GLU A 18 12.119 -2.474 -8.269 1.00 10.28 H new ATOM 0 HG2 GLU A 18 11.530 -4.871 -7.812 1.00 12.65 H new ATOM 0 HG3 GLU A 18 9.949 -4.578 -8.508 1.00 12.65 H new ATOM 302 N PRO A 19 11.706 -0.685 -5.635 1.00 7.24 N ATOM 303 CA PRO A 19 11.733 0.572 -4.937 1.00 7.07 C ATOM 304 C PRO A 19 11.312 1.752 -5.762 1.00 6.65 C ATOM 305 O PRO A 19 10.884 2.799 -5.149 1.00 6.37 O ATOM 306 CB PRO A 19 13.201 0.680 -4.347 1.00 7.61 C ATOM 307 CG PRO A 19 13.639 -0.801 -4.252 1.00 8.16 C ATOM 308 CD PRO A 19 13.002 -1.413 -5.496 1.00 7.49 C ATOM 0 HA PRO A 19 10.985 0.595 -4.145 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.858 1.256 -4.999 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.211 1.169 -3.373 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.724 -0.905 -4.259 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.279 -1.273 -3.338 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.632 -1.277 -6.375 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.847 -2.485 -5.378 1.00 7.49 H new ATOM 316 N SER A 20 11.430 1.745 -7.073 1.00 6.80 N ATOM 317 CA SER A 20 10.977 2.829 -7.922 1.00 6.28 C ATOM 318 C SER A 20 9.436 2.760 -8.133 1.00 8.45 C ATOM 319 O SER A 20 8.881 3.749 -8.649 1.00 7.26 O ATOM 320 CB SER A 20 11.693 2.671 -9.303 1.00 8.57 C ATOM 321 OG SER A 20 11.466 1.368 -9.934 1.00 11.13 O ATOM 0 H SER A 20 11.851 0.972 -7.589 1.00 6.80 H new ATOM 0 HA SER A 20 11.212 3.787 -7.458 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.346 3.456 -9.975 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.764 2.818 -9.167 1.00 8.57 H new ATOM 0 HG SER A 20 11.938 1.334 -10.792 1.00 11.13 H new ATOM 327 N ASP A 21 8.732 1.665 -7.822 1.00 7.50 N ATOM 328 CA ASP A 21 7.268 1.689 -7.884 1.00 7.70 C ATOM 329 C ASP A 21 6.631 2.682 -7.039 1.00 7.08 C ATOM 330 O ASP A 21 6.947 2.730 -5.854 1.00 8.11 O ATOM 331 CB ASP A 21 6.616 0.349 -7.446 1.00 11.00 C ATOM 332 CG ASP A 21 7.024 -0.744 -8.390 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.191 -0.487 -9.625 1.00 14.36 O ATOM 334 OD2 ASP A 21 7.099 -1.890 -7.858 1.00 18.03 O ATOM 0 H ASP A 21 9.139 0.775 -7.533 1.00 7.50 H new ATOM 0 HA ASP A 21 7.105 1.915 -8.938 1.00 7.70 H new ATOM 0 HB2 ASP A 21 6.923 0.099 -6.430 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.531 0.448 -7.436 1.00 11.00 H new ATOM 339 N THR A 22 5.647 3.502 -7.502 1.00 5.37 N ATOM 340 CA THR A 22 4.927 4.440 -6.706 1.00 6.01 C ATOM 341 C THR A 22 3.893 3.792 -5.842 1.00 8.01 C ATOM 342 O THR A 22 3.541 2.640 -6.028 1.00 8.11 O ATOM 343 CB THR A 22 4.348 5.581 -7.523 1.00 8.92 C ATOM 344 OG1 THR A 22 3.503 5.062 -8.528 1.00 10.22 O ATOM 345 CG2 THR A 22 5.355 6.438 -8.176 1.00 9.65 C ATOM 0 H THR A 22 5.350 3.500 -8.478 1.00 5.37 H new ATOM 0 HA THR A 22 5.663 4.881 -6.034 1.00 6.01 H new ATOM 0 HB THR A 22 3.809 6.204 -6.809 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.129 5.800 -9.054 1.00 10.22 H new ATOM 0 HG21 THR A 22 4.853 7.226 -8.737 1.00 9.65 H new ATOM 0 HG22 THR A 22 5.998 6.886 -7.418 1.00 9.65 H new ATOM 0 HG23 THR A 22 5.959 5.837 -8.855 1.00 9.65 H new ATOM 353 N ILE A 23 3.524 4.522 -4.727 1.00 8.32 N ATOM 354 CA ILE A 23 2.460 4.161 -3.794 1.00 9.92 C ATOM 355 C ILE A 23 1.164 3.873 -4.447 1.00 10.01 C ATOM 356 O ILE A 23 0.459 2.929 -4.113 1.00 8.71 O ATOM 357 CB ILE A 23 2.375 5.189 -2.677 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.615 5.202 -1.737 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.071 4.921 -1.780 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.074 3.874 -1.149 1.00 12.30 C ATOM 0 H ILE A 23 3.989 5.394 -4.474 1.00 8.32 H new ATOM 0 HA ILE A 23 2.726 3.206 -3.341 1.00 9.92 H new ATOM 0 HB ILE A 23 2.328 6.158 -3.174 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.451 5.630 -2.291 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.401 5.879 -0.910 1.00 11.38 H new ATOM 0 HG21 ILE A 23 1.019 5.662 -0.983 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.180 4.995 -2.403 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.128 3.923 -1.345 1.00 10.90 H new ATOM 0 HD11 ILE A 23 4.946 4.038 -0.516 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.270 3.442 -0.554 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.335 3.190 -1.956 1.00 12.30 H new ATOM 372 N GLU A 24 0.781 4.642 -5.489 1.00 9.54 N ATOM 373 CA GLU A 24 -0.298 4.379 -6.374 1.00 11.81 C ATOM 374 C GLU A 24 -0.147 3.072 -7.154 1.00 11.14 C ATOM 375 O GLU A 24 -1.041 2.279 -7.155 1.00 10.62 O ATOM 376 CB GLU A 24 -0.482 5.583 -7.372 1.00 19.24 C ATOM 377 CG GLU A 24 -1.599 5.282 -8.384 1.00 27.76 C ATOM 378 CD GLU A 24 -1.886 6.485 -9.270 1.00 32.92 C ATOM 379 OE1 GLU A 24 -1.007 6.952 -10.056 1.00 34.80 O ATOM 380 OE2 GLU A 24 -3.058 6.969 -9.239 1.00 36.51 O ATOM 0 H GLU A 24 1.268 5.508 -5.721 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.185 4.265 -5.751 1.00 11.81 H new ATOM 0 HB2 GLU A 24 -0.722 6.489 -6.816 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.453 5.771 -7.900 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.311 4.433 -9.004 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.506 4.996 -7.852 1.00 27.76 H new ATOM 387 N ASN A 25 1.051 2.737 -7.716 1.00 9.43 N ATOM 388 CA ASN A 25 1.319 1.411 -8.308 1.00 10.96 C ATOM 389 C ASN A 25 1.166 0.242 -7.381 1.00 9.68 C ATOM 390 O ASN A 25 0.590 -0.782 -7.772 1.00 9.33 O ATOM 391 CB ASN A 25 2.773 1.418 -8.912 1.00 16.78 C ATOM 392 CG ASN A 25 2.899 0.308 -9.929 1.00 22.31 C ATOM 393 OD1 ASN A 25 3.384 -0.833 -9.678 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.434 0.591 -11.119 1.00 24.70 N ATOM 0 H ASN A 25 1.843 3.377 -7.767 1.00 9.43 H new ATOM 0 HA ASN A 25 0.553 1.264 -9.069 1.00 10.96 H new ATOM 0 HB2 ASN A 25 2.980 2.380 -9.380 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.509 1.285 -8.119 1.00 16.78 H new ATOM 0 HD21 ASN A 25 2.460 -0.112 -11.857 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.046 1.515 -11.308 1.00 24.70 H new ATOM 401 N VAL A 26 1.551 0.303 -6.094 1.00 6.52 N ATOM 402 CA VAL A 26 1.259 -0.581 -4.968 1.00 5.53 C ATOM 403 C VAL A 26 -0.255 -0.791 -4.661 1.00 4.42 C ATOM 404 O VAL A 26 -0.792 -1.931 -4.527 1.00 3.40 O ATOM 405 CB VAL A 26 1.886 -0.167 -3.679 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.788 -1.248 -2.603 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.358 0.100 -3.977 1.00 8.12 C ATOM 0 H VAL A 26 2.148 1.072 -5.789 1.00 6.52 H new ATOM 0 HA VAL A 26 1.696 -1.512 -5.329 1.00 5.53 H new ATOM 0 HB VAL A 26 1.365 0.710 -3.294 1.00 3.86 H new ATOM 0 HG11 VAL A 26 2.260 -0.893 -1.687 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.739 -1.473 -2.407 1.00 7.25 H new ATOM 0 HG13 VAL A 26 2.295 -2.150 -2.946 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.864 0.408 -3.062 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.822 -0.809 -4.361 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.441 0.892 -4.721 1.00 8.12 H new ATOM 417 N LYS A 27 -1.033 0.322 -4.703 1.00 2.64 N ATOM 418 CA LYS A 27 -2.472 0.298 -4.741 1.00 4.14 C ATOM 419 C LYS A 27 -3.113 -0.408 -5.969 1.00 5.58 C ATOM 420 O LYS A 27 -4.133 -1.102 -5.879 1.00 4.11 O ATOM 421 CB LYS A 27 -3.149 1.707 -4.447 1.00 3.97 C ATOM 422 CG LYS A 27 -2.799 2.366 -3.083 1.00 7.45 C ATOM 423 CD LYS A 27 -3.386 3.756 -2.883 1.00 9.02 C ATOM 424 CE LYS A 27 -2.915 4.345 -1.526 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.568 5.680 -1.447 1.00 15.47 N ATOM 0 H LYS A 27 -0.645 1.265 -4.711 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.707 -0.354 -3.900 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -2.866 2.396 -5.243 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.231 1.585 -4.501 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.151 1.718 -2.280 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.715 2.427 -2.991 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -3.078 4.410 -3.699 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -4.475 3.706 -2.908 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -3.213 3.708 -0.693 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -1.829 4.432 -1.488 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.041 6.286 -0.786 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -3.575 6.119 -2.390 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -4.545 5.569 -1.110 1.00 15.47 H new ATOM 439 N ALA A 28 -2.544 -0.224 -7.171 1.00 6.61 N ATOM 440 CA ALA A 28 -2.938 -0.913 -8.413 1.00 7.74 C ATOM 441 C ALA A 28 -2.706 -2.394 -8.333 1.00 9.17 C ATOM 442 O ALA A 28 -3.560 -3.193 -8.689 1.00 11.45 O ATOM 443 CB ALA A 28 -2.324 -0.345 -9.698 1.00 7.68 C ATOM 0 H ALA A 28 -1.773 0.429 -7.311 1.00 6.61 H new ATOM 0 HA ALA A 28 -4.008 -0.720 -8.488 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.676 -0.920 -10.554 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.622 0.697 -9.814 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -1.237 -0.407 -9.640 1.00 7.68 H new ATOM 449 N LYS A 29 -1.542 -2.857 -7.841 1.00 8.96 N ATOM 450 CA LYS A 29 -1.237 -4.189 -7.563 1.00 7.90 C ATOM 451 C LYS A 29 -2.097 -4.853 -6.481 1.00 6.92 C ATOM 452 O LYS A 29 -2.560 -5.975 -6.625 1.00 6.87 O ATOM 453 CB LYS A 29 0.274 -4.102 -7.235 1.00 10.28 C ATOM 454 CG LYS A 29 0.992 -5.413 -6.879 1.00 14.94 C ATOM 455 CD LYS A 29 2.523 -5.304 -7.078 1.00 19.69 C ATOM 456 CE LYS A 29 2.914 -5.491 -8.550 1.00 22.63 C ATOM 457 NZ LYS A 29 4.345 -5.315 -8.712 1.00 24.98 N ATOM 0 H LYS A 29 -0.765 -2.231 -7.628 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.464 -4.858 -8.393 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.781 -3.661 -8.093 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.399 -3.411 -6.401 1.00 10.28 H new ATOM 0 HG2 LYS A 29 0.778 -5.674 -5.843 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.602 -6.221 -7.498 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.868 -4.330 -6.730 1.00 19.69 H new ATOM 0 HD3 LYS A 29 3.024 -6.056 -6.469 1.00 19.69 H new ATOM 0 HE2 LYS A 29 2.621 -6.485 -8.889 1.00 22.63 H new ATOM 0 HE3 LYS A 29 2.379 -4.772 -9.171 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.630 -5.639 -9.658 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.586 -4.309 -8.604 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 4.847 -5.871 -7.990 1.00 24.98 H new ATOM 471 N ILE A 30 -2.414 -4.179 -5.364 1.00 4.57 N ATOM 472 CA ILE A 30 -3.532 -4.600 -4.529 1.00 5.58 C ATOM 473 C ILE A 30 -4.910 -4.727 -5.246 1.00 7.26 C ATOM 474 O ILE A 30 -5.723 -5.642 -5.006 1.00 9.46 O ATOM 475 CB ILE A 30 -3.650 -3.690 -3.325 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.491 -3.902 -2.394 1.00 2.94 C ATOM 477 CG2 ILE A 30 -4.996 -3.843 -2.598 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.395 -5.170 -1.526 1.00 2.00 C ATOM 0 H ILE A 30 -1.916 -3.354 -5.028 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.286 -5.619 -4.230 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.619 -2.663 -3.688 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -1.584 -3.858 -2.997 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -2.465 -3.048 -1.717 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.027 -3.168 -1.743 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.809 -3.599 -3.282 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -5.108 -4.871 -2.253 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.486 -5.132 -0.925 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -3.262 -5.227 -0.868 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -2.368 -6.050 -2.169 1.00 2.00 H new ATOM 490 N GLN A 31 -5.274 -3.826 -6.206 1.00 7.06 N ATOM 491 CA GLN A 31 -6.563 -3.943 -6.824 1.00 8.67 C ATOM 492 C GLN A 31 -6.738 -5.160 -7.675 1.00 10.90 C ATOM 493 O GLN A 31 -7.779 -5.813 -7.663 1.00 9.63 O ATOM 494 CB GLN A 31 -6.831 -2.663 -7.663 1.00 9.12 C ATOM 495 CG GLN A 31 -8.132 -2.626 -8.462 1.00 10.76 C ATOM 496 CD GLN A 31 -8.318 -1.493 -9.484 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.468 -1.047 -9.566 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.287 -1.056 -10.265 1.00 14.76 N ATOM 0 H GLN A 31 -4.697 -3.052 -6.536 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.288 -4.052 -6.017 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.821 -1.806 -6.989 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -6.001 -2.532 -8.358 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -8.225 -3.573 -8.993 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.958 -2.575 -7.753 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.357 -1.460 -10.155 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.447 -0.326 -10.959 1.00 14.76 H new ATOM 507 N ASP A 32 -5.641 -5.554 -8.434 1.00 10.93 N ATOM 508 CA ASP A 32 -5.580 -6.788 -9.194 1.00 14.01 C ATOM 509 C ASP A 32 -5.956 -7.998 -8.323 1.00 14.04 C ATOM 510 O ASP A 32 -6.769 -8.891 -8.696 1.00 13.39 O ATOM 511 CB ASP A 32 -4.239 -6.821 -9.966 1.00 18.01 C ATOM 512 CG ASP A 32 -4.146 -8.071 -10.864 1.00 24.33 C ATOM 513 OD1 ASP A 32 -5.080 -8.325 -11.663 1.00 26.29 O ATOM 514 OD2 ASP A 32 -3.128 -8.799 -10.779 1.00 25.17 O ATOM 0 H ASP A 32 -4.792 -4.993 -8.508 1.00 10.93 H new ATOM 0 HA ASP A 32 -6.342 -6.844 -9.971 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -4.145 -5.923 -10.577 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -3.409 -6.814 -9.260 1.00 18.01 H new ATOM 519 N LYS A 33 -5.390 -8.052 -7.106 1.00 14.22 N ATOM 520 CA LYS A 33 -5.595 -9.153 -6.214 1.00 14.00 C ATOM 521 C LYS A 33 -6.999 -9.177 -5.638 1.00 12.37 C ATOM 522 O LYS A 33 -7.614 -10.250 -5.529 1.00 12.17 O ATOM 523 CB LYS A 33 -4.557 -9.124 -5.073 1.00 18.62 C ATOM 524 CG LYS A 33 -3.225 -9.392 -5.745 1.00 24.00 C ATOM 525 CD LYS A 33 -2.220 -9.992 -4.748 1.00 27.61 C ATOM 526 CE LYS A 33 -0.844 -10.237 -5.312 1.00 27.64 C ATOM 527 NZ LYS A 33 -1.005 -11.194 -6.371 1.00 30.06 N ATOM 0 H LYS A 33 -4.781 -7.323 -6.734 1.00 14.22 H new ATOM 0 HA LYS A 33 -5.466 -10.064 -6.799 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -4.556 -8.159 -4.566 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.778 -9.880 -4.320 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -3.366 -10.076 -6.582 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -2.827 -8.464 -6.155 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.133 -9.322 -3.893 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.618 -10.936 -4.375 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.408 -9.311 -5.688 1.00 27.64 H new ATOM 0 HE3 LYS A 33 -0.171 -10.618 -4.543 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 -0.082 -11.614 -6.602 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -1.660 -11.942 -6.066 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -1.390 -10.719 -7.212 1.00 30.06 H new ATOM 541 N GLU A 34 -7.439 -8.010 -5.190 1.00 10.11 N ATOM 542 CA GLU A 34 -8.502 -7.956 -4.162 1.00 10.07 C ATOM 543 C GLU A 34 -9.708 -7.110 -4.567 1.00 9.32 C ATOM 544 O GLU A 34 -10.706 -7.104 -3.827 1.00 11.61 O ATOM 545 CB GLU A 34 -7.898 -7.307 -2.823 1.00 14.77 C ATOM 546 CG GLU A 34 -7.108 -8.291 -1.986 1.00 18.75 C ATOM 547 CD GLU A 34 -7.885 -9.443 -1.510 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.613 -9.476 -0.439 1.00 25.19 O ATOM 549 OE2 GLU A 34 -7.785 -10.501 -2.186 1.00 21.95 O ATOM 0 H GLU A 34 -7.096 -7.102 -5.504 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.842 -8.982 -4.022 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.254 -6.470 -3.092 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.713 -6.903 -2.223 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -6.265 -8.655 -2.574 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.694 -7.767 -1.125 1.00 18.75 H new ATOM 556 N GLY A 35 -9.667 -6.410 -5.756 1.00 7.22 N ATOM 557 CA GLY A 35 -10.767 -5.752 -6.374 1.00 6.29 C ATOM 558 C GLY A 35 -11.121 -4.428 -5.694 1.00 6.93 C ATOM 559 O GLY A 35 -12.153 -3.846 -6.021 1.00 7.41 O ATOM 0 H GLY A 35 -8.805 -6.315 -6.294 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -10.532 -5.566 -7.422 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.636 -6.410 -6.354 1.00 6.29 H new ATOM 563 N ILE A 36 -10.323 -3.904 -4.763 1.00 5.86 N ATOM 564 CA ILE A 36 -10.607 -2.611 -4.154 1.00 6.07 C ATOM 565 C ILE A 36 -9.873 -1.528 -4.841 1.00 6.36 C ATOM 566 O ILE A 36 -8.649 -1.653 -5.108 1.00 6.18 O ATOM 567 CB ILE A 36 -10.174 -2.656 -2.655 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.630 -3.965 -1.933 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.699 -1.386 -1.910 1.00 7.36 C ATOM 570 CD1 ILE A 36 -10.194 -4.097 -0.468 1.00 9.49 C ATOM 0 H ILE A 36 -9.477 -4.357 -4.417 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.675 -2.409 -4.239 1.00 6.07 H new ATOM 0 HB ILE A 36 -9.084 -2.660 -2.629 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.718 -4.024 -1.977 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.242 -4.819 -2.488 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -10.393 -1.425 -0.865 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -10.284 -0.493 -2.377 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.787 -1.354 -1.968 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -10.562 -5.039 -0.062 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -9.106 -4.077 -0.409 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -10.604 -3.269 0.110 1.00 9.49 H new ATOM 582 N PRO A 37 -10.535 -0.524 -5.328 1.00 8.65 N ATOM 583 CA PRO A 37 -9.918 0.371 -6.287 1.00 9.18 C ATOM 584 C PRO A 37 -8.910 1.242 -5.558 1.00 9.85 C ATOM 585 O PRO A 37 -9.307 1.531 -4.410 1.00 8.51 O ATOM 586 CB PRO A 37 -11.007 1.121 -6.946 1.00 11.42 C ATOM 587 CG PRO A 37 -12.173 1.074 -5.955 1.00 9.27 C ATOM 588 CD PRO A 37 -11.950 -0.193 -5.183 1.00 8.33 C ATOM 0 HA PRO A 37 -9.359 -0.148 -7.066 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -10.708 2.148 -7.156 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.279 0.667 -7.899 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -12.174 1.945 -5.299 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -13.133 1.062 -6.470 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.211 -0.059 -4.133 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.578 -0.997 -5.567 1.00 8.33 H new ATOM 596 N PRO A 38 -7.758 1.696 -6.035 1.00 8.71 N ATOM 597 CA PRO A 38 -6.905 2.679 -5.344 1.00 9.08 C ATOM 598 C PRO A 38 -7.579 3.812 -4.705 1.00 9.28 C ATOM 599 O PRO A 38 -7.149 4.189 -3.647 1.00 6.50 O ATOM 600 CB PRO A 38 -5.839 3.048 -6.391 1.00 10.31 C ATOM 601 CG PRO A 38 -5.829 1.949 -7.449 1.00 10.81 C ATOM 602 CD PRO A 38 -7.239 1.354 -7.385 1.00 12.00 C ATOM 0 HA PRO A 38 -6.469 2.243 -4.445 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.066 4.013 -6.844 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -4.858 3.138 -5.923 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.611 2.351 -8.439 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.069 1.197 -7.235 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.875 1.770 -8.166 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.216 0.274 -7.534 1.00 12.00 H new ATOM 610 N ASP A 39 -8.720 4.320 -5.251 1.00 11.20 N ATOM 611 CA ASP A 39 -9.522 5.345 -4.641 1.00 14.96 C ATOM 612 C ASP A 39 -10.218 4.897 -3.343 1.00 13.99 C ATOM 613 O ASP A 39 -10.646 5.779 -2.598 1.00 13.75 O ATOM 614 CB ASP A 39 -10.621 5.784 -5.600 1.00 24.16 C ATOM 615 CG ASP A 39 -9.974 6.613 -6.690 1.00 31.06 C ATOM 616 OD1 ASP A 39 -9.345 7.706 -6.538 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.068 6.072 -7.825 1.00 35.55 O ATOM 0 H ASP A 39 -9.090 4.001 -6.147 1.00 11.20 H new ATOM 0 HA ASP A 39 -8.828 6.152 -4.403 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.125 4.917 -6.027 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.378 6.366 -5.074 1.00 24.16 H new ATOM 622 N GLN A 40 -10.330 3.641 -2.943 1.00 11.60 N ATOM 623 CA GLN A 40 -10.788 3.198 -1.629 1.00 10.76 C ATOM 624 C GLN A 40 -9.666 2.668 -0.742 1.00 8.01 C ATOM 625 O GLN A 40 -9.834 2.065 0.362 1.00 8.96 O ATOM 626 CB GLN A 40 -11.955 2.133 -1.730 1.00 11.14 C ATOM 627 CG GLN A 40 -13.205 2.688 -2.462 1.00 14.85 C ATOM 628 CD GLN A 40 -14.301 1.570 -2.514 1.00 16.11 C ATOM 629 OE1 GLN A 40 -14.159 0.496 -3.077 1.00 20.52 O ATOM 630 NE2 GLN A 40 -15.307 1.842 -1.631 1.00 18.16 N ATOM 0 H GLN A 40 -10.093 2.860 -3.555 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.179 4.096 -1.150 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.592 1.250 -2.256 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.238 1.813 -0.727 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.587 3.566 -1.942 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.941 3.004 -3.471 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -15.368 2.762 -1.195 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.997 1.125 -1.408 1.00 18.16 H new ATOM 639 N GLN A 41 -8.406 2.875 -1.247 1.00 6.52 N ATOM 640 CA GLN A 41 -7.246 2.401 -0.489 1.00 3.87 C ATOM 641 C GLN A 41 -6.448 3.584 0.065 1.00 4.79 C ATOM 642 O GLN A 41 -5.935 4.472 -0.630 1.00 6.34 O ATOM 643 CB GLN A 41 -6.319 1.562 -1.436 1.00 4.20 C ATOM 644 CG GLN A 41 -7.069 0.320 -2.076 1.00 3.20 C ATOM 645 CD GLN A 41 -5.951 -0.391 -2.798 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.808 -0.525 -2.360 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.295 -1.003 -3.984 1.00 7.13 N ATOM 0 H GLN A 41 -8.195 3.343 -2.129 1.00 6.52 H new ATOM 0 HA GLN A 41 -7.596 1.787 0.341 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -5.942 2.204 -2.232 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.454 1.210 -0.874 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.530 -0.312 -1.317 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -7.861 0.630 -2.757 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.239 -0.899 -4.357 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.606 -1.560 -4.489 1.00 7.13 H new ATOM 656 N ARG A 42 -6.249 3.581 1.393 1.00 5.73 N ATOM 657 CA ARG A 42 -5.147 4.284 1.973 1.00 6.97 C ATOM 658 C ARG A 42 -4.100 3.286 2.273 1.00 7.15 C ATOM 659 O ARG A 42 -4.405 2.129 2.543 1.00 7.33 O ATOM 660 CB ARG A 42 -5.515 4.998 3.300 1.00 13.23 C ATOM 661 CG ARG A 42 -6.602 6.009 3.140 1.00 21.27 C ATOM 662 CD ARG A 42 -6.843 6.772 4.451 1.00 26.14 C ATOM 663 NE ARG A 42 -7.715 7.895 4.041 1.00 32.26 N ATOM 664 CZ ARG A 42 -8.744 8.386 4.703 1.00 34.32 C ATOM 665 NH1 ARG A 42 -9.185 7.932 5.899 1.00 35.30 N ATOM 666 NH2 ARG A 42 -9.471 9.424 4.269 1.00 36.39 N ATOM 0 H ARG A 42 -6.846 3.096 2.063 1.00 5.73 H new ATOM 0 HA ARG A 42 -4.823 5.049 1.267 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -5.825 4.253 4.033 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -4.627 5.488 3.700 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -6.336 6.712 2.350 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -7.522 5.513 2.830 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -7.324 6.142 5.199 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.909 7.127 4.886 1.00 26.14 H new ATOM 0 HE ARG A 42 -7.496 8.338 3.149 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.711 7.152 6.355 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.991 8.370 6.345 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -9.238 9.876 3.385 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -10.258 9.763 4.823 1.00 36.39 H new ATOM 680 N LEU A 43 -2.846 3.755 2.390 1.00 4.65 N ATOM 681 CA LEU A 43 -1.715 2.930 2.822 1.00 3.51 C ATOM 682 C LEU A 43 -1.069 3.559 4.049 1.00 5.56 C ATOM 683 O LEU A 43 -0.782 4.734 4.103 1.00 4.19 O ATOM 684 CB LEU A 43 -0.572 2.738 1.760 1.00 3.74 C ATOM 685 CG LEU A 43 -0.864 1.528 0.859 1.00 6.32 C ATOM 686 CD1 LEU A 43 0.094 1.378 -0.301 1.00 9.55 C ATOM 687 CD2 LEU A 43 -0.922 0.157 1.572 1.00 6.41 C ATOM 0 H LEU A 43 -2.592 4.721 2.186 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.151 1.949 3.011 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -0.480 3.637 1.151 1.00 3.74 H new ATOM 0 HB3 LEU A 43 0.383 2.598 2.267 1.00 3.74 H new ATOM 0 HG LEU A 43 -1.863 1.780 0.503 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -0.180 0.501 -0.888 1.00 9.55 H new ATOM 0 HD12 LEU A 43 0.045 2.266 -0.931 1.00 9.55 H new ATOM 0 HD13 LEU A 43 1.109 1.258 0.078 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -1.134 -0.624 0.842 1.00 6.41 H new ATOM 0 HD22 LEU A 43 0.036 -0.045 2.051 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -1.709 0.172 2.326 1.00 6.41 H new ATOM 699 N ILE A 44 -0.890 2.755 5.049 1.00 4.58 N ATOM 700 CA ILE A 44 -0.250 3.158 6.356 1.00 5.55 C ATOM 701 C ILE A 44 0.965 2.239 6.617 1.00 5.46 C ATOM 702 O ILE A 44 0.987 0.995 6.600 1.00 6.04 O ATOM 703 CB ILE A 44 -1.320 3.234 7.457 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.178 4.460 7.147 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.626 3.437 8.850 1.00 7.39 C ATOM 706 CD1 ILE A 44 -3.367 4.644 8.152 1.00 13.90 C ATOM 0 H ILE A 44 -1.173 1.775 5.025 1.00 4.58 H new ATOM 0 HA ILE A 44 0.164 4.166 6.332 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.916 2.322 7.490 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -1.550 5.351 7.168 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -2.574 4.373 6.135 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.385 3.491 9.630 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.041 2.598 9.050 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.051 4.363 8.839 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.939 5.531 7.880 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -4.015 3.768 8.114 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -2.975 4.761 9.162 1.00 13.90 H new ATOM 718 N PHE A 45 2.049 2.944 6.983 1.00 6.75 N ATOM 719 CA PHE A 45 3.333 2.364 7.296 1.00 4.70 C ATOM 720 C PHE A 45 3.718 3.150 8.598 1.00 6.34 C ATOM 721 O PHE A 45 3.870 4.360 8.492 1.00 5.45 O ATOM 722 CB PHE A 45 4.219 2.573 6.058 1.00 5.51 C ATOM 723 CG PHE A 45 5.533 1.943 6.201 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.616 0.552 6.430 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.747 2.753 6.271 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.838 0.037 6.841 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.976 2.187 6.509 1.00 6.64 C ATOM 728 CZ PHE A 45 7.981 0.852 6.798 1.00 6.84 C ATOM 0 H PHE A 45 2.039 3.961 7.067 1.00 6.75 H new ATOM 0 HA PHE A 45 3.403 1.294 7.494 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.716 2.164 5.181 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.348 3.641 5.883 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.758 -0.089 6.290 1.00 6.86 H new ATOM 0 HD2 PHE A 45 6.677 3.822 6.132 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.909 -0.982 7.191 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.887 2.765 6.470 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.934 0.389 7.009 1.00 6.84 H new ATOM 738 N ALA A 46 3.898 2.454 9.694 1.00 6.53 N ATOM 739 CA ALA A 46 4.514 2.912 10.951 1.00 7.15 C ATOM 740 C ALA A 46 4.057 4.229 11.503 1.00 9.00 C ATOM 741 O ALA A 46 4.870 5.125 11.657 1.00 11.15 O ATOM 742 CB ALA A 46 6.028 2.802 10.845 1.00 8.99 C ATOM 0 H ALA A 46 3.602 1.480 9.752 1.00 6.53 H new ATOM 0 HA ALA A 46 4.140 2.230 11.715 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.483 3.141 11.775 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.305 1.764 10.662 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.381 3.422 10.021 1.00 8.99 H new ATOM 748 N GLY A 47 2.716 4.340 11.655 1.00 9.35 N ATOM 749 CA GLY A 47 1.936 5.459 12.078 1.00 11.68 C ATOM 750 C GLY A 47 1.793 6.653 11.086 1.00 11.14 C ATOM 751 O GLY A 47 1.322 7.695 11.478 1.00 13.93 O ATOM 0 H GLY A 47 2.116 3.540 11.454 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.935 5.100 12.318 1.00 11.68 H new ATOM 0 HA3 GLY A 47 2.369 5.840 13.003 1.00 11.68 H new ATOM 755 N LYS A 48 2.147 6.463 9.767 1.00 10.47 N ATOM 756 CA LYS A 48 2.047 7.511 8.754 1.00 8.82 C ATOM 757 C LYS A 48 1.270 7.109 7.540 1.00 7.68 C ATOM 758 O LYS A 48 1.476 5.991 7.028 1.00 6.47 O ATOM 759 CB LYS A 48 3.326 8.097 8.173 1.00 9.74 C ATOM 760 CG LYS A 48 4.244 8.669 9.267 1.00 14.14 C ATOM 761 CD LYS A 48 3.839 10.110 9.419 1.00 16.32 C ATOM 762 CE LYS A 48 4.727 11.024 10.282 1.00 20.04 C ATOM 763 NZ LYS A 48 6.059 11.140 9.633 1.00 23.92 N ATOM 0 H LYS A 48 2.503 5.578 9.407 1.00 10.47 H new ATOM 0 HA LYS A 48 1.561 8.261 9.378 1.00 8.82 H new ATOM 0 HB2 LYS A 48 3.860 7.325 7.618 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.074 8.884 7.462 1.00 9.74 H new ATOM 0 HG2 LYS A 48 4.123 8.126 10.204 1.00 14.14 H new ATOM 0 HG3 LYS A 48 5.293 8.584 8.983 1.00 14.14 H new ATOM 0 HD2 LYS A 48 3.780 10.547 8.422 1.00 16.32 H new ATOM 0 HD3 LYS A 48 2.832 10.131 9.837 1.00 16.32 H new ATOM 0 HE2 LYS A 48 4.270 12.008 10.386 1.00 20.04 H new ATOM 0 HE3 LYS A 48 4.830 10.613 11.286 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 6.631 11.846 10.138 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 6.541 10.219 9.662 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 5.938 11.436 8.643 1.00 23.92 H new ATOM 777 N GLN A 49 0.353 7.923 7.023 1.00 8.89 N ATOM 778 CA GLN A 49 -0.267 7.696 5.743 1.00 7.18 C ATOM 779 C GLN A 49 0.630 7.944 4.516 1.00 8.23 C ATOM 780 O GLN A 49 1.512 8.764 4.549 1.00 9.70 O ATOM 781 CB GLN A 49 -1.598 8.504 5.558 1.00 11.67 C ATOM 782 CG GLN A 49 -2.691 8.099 6.615 1.00 15.82 C ATOM 783 CD GLN A 49 -4.079 8.724 6.423 1.00 20.21 C ATOM 784 OE1 GLN A 49 -4.515 9.003 5.324 1.00 23.23 O ATOM 785 NE2 GLN A 49 -4.829 8.956 7.498 1.00 20.67 N ATOM 0 H GLN A 49 0.024 8.765 7.495 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.477 6.627 5.776 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -1.389 9.570 5.645 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.986 8.336 4.554 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.798 7.014 6.600 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.327 8.370 7.606 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -4.475 8.726 8.426 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -5.758 9.364 7.393 1.00 20.67 H new ATOM 794 N LEU A 50 0.497 7.156 3.433 1.00 6.51 N ATOM 795 CA LEU A 50 1.410 7.157 2.324 1.00 7.41 C ATOM 796 C LEU A 50 0.843 7.842 1.087 1.00 8.27 C ATOM 797 O LEU A 50 -0.229 7.434 0.655 1.00 8.34 O ATOM 798 CB LEU A 50 2.048 5.843 1.773 1.00 7.13 C ATOM 799 CG LEU A 50 2.733 4.989 2.861 1.00 7.53 C ATOM 800 CD1 LEU A 50 3.269 3.680 2.250 1.00 8.14 C ATOM 801 CD2 LEU A 50 3.875 5.699 3.628 1.00 9.11 C ATOM 0 H LEU A 50 -0.271 6.494 3.323 1.00 6.51 H new ATOM 0 HA LEU A 50 2.209 7.681 2.848 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.274 5.248 1.289 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.781 6.097 1.007 1.00 7.13 H new ATOM 0 HG LEU A 50 1.954 4.792 3.597 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.750 3.086 3.027 1.00 8.14 H new ATOM 0 HD12 LEU A 50 2.443 3.114 1.820 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.994 3.913 1.470 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.293 5.019 4.370 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.655 5.995 2.927 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.482 6.584 4.128 1.00 9.11 H new ATOM 813 N GLU A 51 1.490 8.882 0.603 1.00 9.43 N ATOM 814 CA GLU A 51 1.094 9.697 -0.514 1.00 11.90 C ATOM 815 C GLU A 51 1.386 9.030 -1.821 1.00 11.49 C ATOM 816 O GLU A 51 2.537 8.713 -2.155 1.00 9.88 O ATOM 817 CB GLU A 51 1.795 11.100 -0.505 1.00 16.56 C ATOM 818 CG GLU A 51 1.432 11.920 0.679 1.00 26.06 C ATOM 819 CD GLU A 51 2.237 13.176 0.557 1.00 29.86 C ATOM 820 OE1 GLU A 51 3.422 13.138 0.826 1.00 33.44 O ATOM 821 OE2 GLU A 51 1.695 14.274 0.250 1.00 32.13 O ATOM 0 H GLU A 51 2.369 9.198 1.013 1.00 9.43 H new ATOM 0 HA GLU A 51 0.018 9.835 -0.407 1.00 11.90 H new ATOM 0 HB2 GLU A 51 2.876 10.961 -0.527 1.00 16.56 H new ATOM 0 HB3 GLU A 51 1.525 11.641 -1.412 1.00 16.56 H new ATOM 0 HG2 GLU A 51 0.364 12.138 0.693 1.00 26.06 H new ATOM 0 HG3 GLU A 51 1.662 11.395 1.606 1.00 26.06 H new ATOM 828 N ASP A 52 0.303 8.863 -2.616 1.00 12.71 N ATOM 829 CA ASP A 52 0.241 8.057 -3.808 1.00 16.56 C ATOM 830 C ASP A 52 1.276 8.290 -4.887 1.00 15.83 C ATOM 831 O ASP A 52 1.760 7.425 -5.618 1.00 17.21 O ATOM 832 CB ASP A 52 -1.148 8.296 -4.406 1.00 21.05 C ATOM 833 CG ASP A 52 -2.233 7.846 -3.428 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.455 8.389 -2.325 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.953 6.854 -3.767 1.00 28.37 O ATOM 0 H ASP A 52 -0.586 9.321 -2.412 1.00 12.71 H new ATOM 0 HA ASP A 52 0.452 7.038 -3.485 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -1.274 9.354 -4.638 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -1.246 7.750 -5.344 1.00 21.05 H new ATOM 840 N GLY A 53 1.693 9.558 -4.995 1.00 15.00 N ATOM 841 CA GLY A 53 2.665 9.920 -6.053 1.00 11.77 C ATOM 842 C GLY A 53 4.155 9.765 -5.616 1.00 11.10 C ATOM 843 O GLY A 53 4.980 10.194 -6.362 1.00 11.25 O ATOM 0 H GLY A 53 1.393 10.326 -4.395 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.485 9.295 -6.928 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.490 10.952 -6.357 1.00 11.77 H new ATOM 847 N ARG A 54 4.380 9.157 -4.486 1.00 8.53 N ATOM 848 CA ARG A 54 5.693 8.889 -3.893 1.00 9.05 C ATOM 849 C ARG A 54 6.084 7.487 -4.022 1.00 8.96 C ATOM 850 O ARG A 54 5.210 6.686 -4.301 1.00 11.60 O ATOM 851 CB ARG A 54 5.796 9.249 -2.385 1.00 7.97 C ATOM 852 CG ARG A 54 5.740 10.808 -2.231 1.00 9.62 C ATOM 853 CD ARG A 54 5.731 11.079 -0.791 1.00 12.20 C ATOM 854 NE ARG A 54 5.573 12.515 -0.635 1.00 18.23 N ATOM 855 CZ ARG A 54 6.567 13.383 -0.446 1.00 22.08 C ATOM 856 NH1 ARG A 54 7.861 13.101 -0.591 1.00 25.50 N ATOM 857 NH2 ARG A 54 6.314 14.598 0.062 1.00 23.38 N ATOM 0 H ARG A 54 3.617 8.808 -3.907 1.00 8.53 H new ATOM 0 HA ARG A 54 6.361 9.537 -4.461 1.00 9.05 H new ATOM 0 HB2 ARG A 54 4.980 8.786 -1.830 1.00 7.97 H new ATOM 0 HB3 ARG A 54 6.726 8.862 -1.968 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.600 11.277 -2.710 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.848 11.214 -2.709 1.00 9.62 H new ATOM 0 HD2 ARG A 54 4.916 10.545 -0.302 1.00 12.20 H new ATOM 0 HD3 ARG A 54 6.657 10.739 -0.328 1.00 12.20 H new ATOM 0 HE ARG A 54 4.625 12.889 -0.673 1.00 18.23 H new ATOM 0 HH11 ARG A 54 8.151 12.162 -0.866 1.00 25.50 H new ATOM 0 HH12 ARG A 54 8.562 13.824 -0.427 1.00 25.50 H new ATOM 0 HH21 ARG A 54 5.359 14.860 0.305 1.00 23.38 H new ATOM 0 HH22 ARG A 54 7.077 15.260 0.205 1.00 23.38 H new ATOM 871 N THR A 55 7.312 7.140 -3.946 1.00 9.05 N ATOM 872 CA THR A 55 7.858 5.799 -4.167 1.00 9.03 C ATOM 873 C THR A 55 8.156 5.161 -2.873 1.00 8.15 C ATOM 874 O THR A 55 8.276 5.775 -1.802 1.00 5.91 O ATOM 875 CB THR A 55 9.040 5.761 -5.109 1.00 11.15 C ATOM 876 OG1 THR A 55 10.152 6.593 -4.689 1.00 11.95 O ATOM 877 CG2 THR A 55 8.633 6.274 -6.534 1.00 11.71 C ATOM 0 H THR A 55 8.040 7.815 -3.712 1.00 9.05 H new ATOM 0 HA THR A 55 7.088 5.223 -4.679 1.00 9.03 H new ATOM 0 HB THR A 55 9.350 4.716 -5.113 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.880 6.520 -5.341 1.00 11.95 H new ATOM 0 HG21 THR A 55 9.499 6.238 -7.195 1.00 11.71 H new ATOM 0 HG22 THR A 55 7.843 5.641 -6.937 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.274 7.301 -6.462 1.00 11.71 H new ATOM 885 N LEU A 56 8.356 3.847 -2.916 1.00 6.91 N ATOM 886 CA LEU A 56 8.867 3.014 -1.831 1.00 8.29 C ATOM 887 C LEU A 56 10.274 3.445 -1.352 1.00 8.05 C ATOM 888 O LEU A 56 10.579 3.437 -0.159 1.00 10.17 O ATOM 889 CB LEU A 56 8.729 1.526 -2.230 1.00 6.60 C ATOM 890 CG LEU A 56 7.293 1.083 -2.469 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.281 -0.272 -3.180 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.551 0.952 -1.134 1.00 8.64 C ATOM 0 H LEU A 56 8.155 3.304 -3.756 1.00 6.91 H new ATOM 0 HA LEU A 56 8.260 3.160 -0.938 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.310 1.347 -3.135 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.164 0.907 -1.445 1.00 6.60 H new ATOM 0 HG LEU A 56 6.796 1.830 -3.088 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.251 -0.585 -3.349 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.796 -0.185 -4.137 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.788 -1.012 -2.561 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.525 0.635 -1.318 1.00 8.64 H new ATOM 0 HD22 LEU A 56 7.053 0.213 -0.510 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.547 1.915 -0.624 1.00 8.64 H new ATOM 904 N SER A 57 11.218 3.718 -2.284 1.00 8.92 N ATOM 905 CA SER A 57 12.469 4.400 -2.029 1.00 9.00 C ATOM 906 C SER A 57 12.426 5.695 -1.313 1.00 9.44 C ATOM 907 O SER A 57 13.281 5.923 -0.444 1.00 10.91 O ATOM 908 CB SER A 57 13.227 4.411 -3.401 1.00 10.32 C ATOM 909 OG SER A 57 14.552 4.845 -3.168 1.00 13.59 O ATOM 0 H SER A 57 11.107 3.452 -3.262 1.00 8.92 H new ATOM 0 HA SER A 57 13.019 3.849 -1.267 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.225 3.415 -3.845 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.728 5.075 -4.106 1.00 10.32 H new ATOM 0 HG SER A 57 15.046 4.858 -4.015 1.00 13.59 H new ATOM 915 N ASP A 58 11.558 6.683 -1.608 1.00 9.11 N ATOM 916 CA ASP A 58 11.354 7.911 -0.898 1.00 7.91 C ATOM 917 C ASP A 58 10.796 7.783 0.578 1.00 9.12 C ATOM 918 O ASP A 58 11.010 8.669 1.375 1.00 8.61 O ATOM 919 CB ASP A 58 10.439 8.725 -1.846 1.00 8.41 C ATOM 920 CG ASP A 58 10.411 10.227 -1.568 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.487 10.902 -1.566 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.305 10.749 -1.372 1.00 11.70 O ATOM 0 H ASP A 58 10.943 6.613 -2.419 1.00 9.11 H new ATOM 0 HA ASP A 58 12.305 8.401 -0.690 1.00 7.91 H new ATOM 0 HB2 ASP A 58 10.768 8.565 -2.873 1.00 8.41 H new ATOM 0 HB3 ASP A 58 9.423 8.336 -1.772 1.00 8.41 H new ATOM 927 N TYR A 59 10.262 6.602 0.960 1.00 7.97 N ATOM 928 CA TYR A 59 9.824 6.384 2.286 1.00 8.45 C ATOM 929 C TYR A 59 10.823 5.364 2.950 1.00 10.98 C ATOM 930 O TYR A 59 10.599 4.990 4.084 1.00 12.95 O ATOM 931 CB TYR A 59 8.416 5.732 2.413 1.00 7.94 C ATOM 932 CG TYR A 59 7.259 6.677 2.128 1.00 6.91 C ATOM 933 CD1 TYR A 59 7.015 7.662 3.136 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.434 6.617 0.991 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.876 8.513 2.998 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.361 7.510 0.814 1.00 6.52 C ATOM 937 CZ TYR A 59 5.086 8.477 1.854 1.00 6.76 C ATOM 938 OH TYR A 59 3.996 9.325 1.656 1.00 7.63 O ATOM 0 H TYR A 59 10.139 5.803 0.338 1.00 7.97 H new ATOM 0 HA TYR A 59 9.781 7.367 2.755 1.00 8.45 H new ATOM 0 HB2 TYR A 59 8.357 4.887 1.727 1.00 7.94 H new ATOM 0 HB3 TYR A 59 8.303 5.333 3.421 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.678 7.760 3.983 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.628 5.869 0.237 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.624 9.196 3.796 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.756 7.474 -0.080 1.00 6.52 H new ATOM 0 HH TYR A 59 4.266 10.251 1.830 1.00 7.63 H new ATOM 948 N ASN A 60 11.843 4.921 2.199 1.00 12.38 N ATOM 949 CA ASN A 60 12.928 4.088 2.666 1.00 13.94 C ATOM 950 C ASN A 60 12.319 2.745 3.117 1.00 14.16 C ATOM 951 O ASN A 60 12.691 2.118 4.109 1.00 14.26 O ATOM 952 CB ASN A 60 13.883 4.622 3.700 1.00 19.23 C ATOM 953 CG ASN A 60 14.284 6.044 3.346 1.00 22.65 C ATOM 954 OD1 ASN A 60 14.193 6.921 4.228 1.00 25.45 O ATOM 955 ND2 ASN A 60 14.644 6.348 2.135 1.00 24.09 N ATOM 0 H ASN A 60 11.924 5.152 1.209 1.00 12.38 H new ATOM 0 HA ASN A 60 13.596 4.009 1.808 1.00 13.94 H new ATOM 0 HB2 ASN A 60 13.416 4.601 4.685 1.00 19.23 H new ATOM 0 HB3 ASN A 60 14.768 3.988 3.753 1.00 19.23 H new ATOM 0 HD21 ASN A 60 14.857 7.316 1.894 1.00 24.09 H new ATOM 0 HD22 ASN A 60 14.714 5.619 1.425 1.00 24.09 H new ATOM 962 N ILE A 61 11.324 2.252 2.358 1.00 11.08 N ATOM 963 CA ILE A 61 10.610 0.991 2.531 1.00 11.78 C ATOM 964 C ILE A 61 11.508 -0.090 2.084 1.00 13.74 C ATOM 965 O ILE A 61 12.081 0.045 0.984 1.00 14.60 O ATOM 966 CB ILE A 61 9.247 1.001 1.836 1.00 11.80 C ATOM 967 CG1 ILE A 61 8.460 2.107 2.612 1.00 11.56 C ATOM 968 CG2 ILE A 61 8.606 -0.355 2.039 1.00 13.29 C ATOM 969 CD1 ILE A 61 7.121 2.458 2.004 1.00 11.42 C ATOM 0 H ILE A 61 10.978 2.769 1.550 1.00 11.08 H new ATOM 0 HA ILE A 61 10.362 0.826 3.580 1.00 11.78 H new ATOM 0 HB ILE A 61 9.283 1.194 0.764 1.00 11.80 H new ATOM 0 HG12 ILE A 61 8.304 1.774 3.638 1.00 11.56 H new ATOM 0 HG13 ILE A 61 9.072 3.008 2.659 1.00 11.56 H new ATOM 0 HG21 ILE A 61 7.631 -0.373 1.552 1.00 13.29 H new ATOM 0 HG22 ILE A 61 9.242 -1.127 1.606 1.00 13.29 H new ATOM 0 HG23 ILE A 61 8.482 -0.543 3.106 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.641 3.232 2.603 1.00 11.42 H new ATOM 0 HD12 ILE A 61 7.268 2.824 0.988 1.00 11.42 H new ATOM 0 HD13 ILE A 61 6.488 1.571 1.982 1.00 11.42 H new ATOM 981 N GLN A 62 11.630 -1.155 2.855 1.00 13.97 N ATOM 982 CA GLN A 62 12.611 -2.200 2.611 1.00 15.52 C ATOM 983 C GLN A 62 11.920 -3.546 2.648 1.00 13.94 C ATOM 984 O GLN A 62 10.792 -3.625 3.126 1.00 12.15 O ATOM 985 CB GLN A 62 13.761 -2.173 3.652 1.00 19.53 C ATOM 986 CG GLN A 62 13.354 -2.254 5.175 1.00 26.38 C ATOM 987 CD GLN A 62 12.881 -0.917 5.740 1.00 30.61 C ATOM 988 OE1 GLN A 62 11.737 -0.502 5.682 1.00 33.23 O ATOM 989 NE2 GLN A 62 13.857 -0.270 6.395 1.00 32.71 N ATOM 0 H GLN A 62 11.047 -1.322 3.675 1.00 13.97 H new ATOM 0 HA GLN A 62 13.054 -2.026 1.630 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.432 -3.004 3.436 1.00 19.53 H new ATOM 0 HB3 GLN A 62 14.331 -1.256 3.502 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.562 -2.993 5.294 1.00 26.38 H new ATOM 0 HG3 GLN A 62 14.207 -2.605 5.755 1.00 26.38 H new ATOM 0 HE21 GLN A 62 14.801 -0.657 6.416 1.00 32.71 H new ATOM 0 HE22 GLN A 62 13.655 0.609 6.872 1.00 32.71 H new ATOM 998 N LYS A 63 12.628 -4.620 2.226 1.00 11.73 N ATOM 999 CA LYS A 63 12.227 -6.034 2.135 1.00 11.97 C ATOM 1000 C LYS A 63 11.608 -6.530 3.431 1.00 10.41 C ATOM 1001 O LYS A 63 11.932 -6.071 4.511 1.00 9.59 O ATOM 1002 CB LYS A 63 13.424 -6.892 1.670 1.00 13.73 C ATOM 1003 CG LYS A 63 14.683 -6.938 2.580 1.00 16.98 C ATOM 1004 CD LYS A 63 15.966 -7.537 1.902 1.00 20.19 C ATOM 1005 CE LYS A 63 16.043 -9.042 2.081 1.00 23.42 C ATOM 1006 NZ LYS A 63 17.192 -9.670 1.464 1.00 25.97 N ATOM 0 H LYS A 63 13.590 -4.500 1.910 1.00 11.73 H new ATOM 0 HA LYS A 63 11.443 -6.130 1.384 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.071 -7.914 1.536 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.733 -6.531 0.689 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.907 -5.926 2.918 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.451 -7.526 3.468 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.962 -7.296 0.839 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.855 -7.073 2.330 1.00 20.19 H new ATOM 0 HE2 LYS A 63 16.053 -9.267 3.148 1.00 23.42 H new ATOM 0 HE3 LYS A 63 15.138 -9.489 1.670 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.162 -10.695 1.637 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 17.177 -9.491 0.440 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 18.064 -9.276 1.872 1.00 25.97 H new ATOM 1020 N GLU A 64 10.464 -7.288 3.344 1.00 10.04 N ATOM 1021 CA GLU A 64 9.800 -7.934 4.447 1.00 10.94 C ATOM 1022 C GLU A 64 8.941 -7.078 5.352 1.00 9.74 C ATOM 1023 O GLU A 64 8.478 -7.480 6.427 1.00 9.42 O ATOM 1024 CB GLU A 64 10.700 -8.798 5.309 1.00 18.31 C ATOM 1025 CG GLU A 64 11.301 -10.038 4.546 1.00 24.16 C ATOM 1026 CD GLU A 64 11.966 -11.034 5.505 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.983 -10.599 6.112 1.00 32.61 O ATOM 1028 OE2 GLU A 64 11.478 -12.231 5.559 1.00 31.72 O ATOM 0 H GLU A 64 9.991 -7.449 2.455 1.00 10.04 H new ATOM 0 HA GLU A 64 9.112 -8.562 3.881 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.517 -8.187 5.693 1.00 18.31 H new ATOM 0 HB3 GLU A 64 10.134 -9.151 6.171 1.00 18.31 H new ATOM 0 HG2 GLU A 64 10.509 -10.542 3.992 1.00 24.16 H new ATOM 0 HG3 GLU A 64 12.033 -9.694 3.815 1.00 24.16 H new ATOM 1035 N SER A 65 8.777 -5.815 4.912 1.00 6.85 N ATOM 1036 CA SER A 65 7.988 -4.836 5.679 1.00 6.90 C ATOM 1037 C SER A 65 6.533 -5.118 5.597 1.00 4.72 C ATOM 1038 O SER A 65 6.053 -5.540 4.556 1.00 3.91 O ATOM 1039 CB SER A 65 8.086 -3.380 5.234 1.00 7.28 C ATOM 1040 OG SER A 65 9.393 -2.907 5.576 1.00 10.56 O ATOM 0 H SER A 65 9.174 -5.455 4.044 1.00 6.85 H new ATOM 0 HA SER A 65 8.423 -4.950 6.672 1.00 6.90 H new ATOM 0 HB2 SER A 65 7.918 -3.296 4.160 1.00 7.28 H new ATOM 0 HB3 SER A 65 7.321 -2.778 5.724 1.00 7.28 H new ATOM 0 HG SER A 65 10.008 -3.079 4.833 1.00 10.56 H new ATOM 1046 N THR A 66 5.736 -4.746 6.589 1.00 4.48 N ATOM 1047 CA THR A 66 4.342 -4.882 6.683 1.00 3.80 C ATOM 1048 C THR A 66 3.731 -3.513 6.516 1.00 4.60 C ATOM 1049 O THR A 66 3.940 -2.643 7.350 1.00 5.33 O ATOM 1050 CB THR A 66 3.875 -5.371 8.091 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.379 -6.676 8.348 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.325 -5.504 8.223 1.00 3.40 C ATOM 0 H THR A 66 6.120 -4.297 7.421 1.00 4.48 H new ATOM 0 HA THR A 66 4.040 -5.605 5.926 1.00 3.80 H new ATOM 0 HB THR A 66 4.246 -4.618 8.786 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.082 -6.973 9.234 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.073 -5.848 9.226 1.00 3.40 H new ATOM 0 HG22 THR A 66 1.860 -4.534 8.044 1.00 3.40 H new ATOM 0 HG23 THR A 66 1.958 -6.223 7.490 1.00 3.40 H new ATOM 1060 N LEU A 67 2.982 -3.316 5.452 1.00 4.17 N ATOM 1061 CA LEU A 67 2.208 -2.150 5.264 1.00 3.85 C ATOM 1062 C LEU A 67 0.752 -2.441 5.601 1.00 3.80 C ATOM 1063 O LEU A 67 0.342 -3.584 5.751 1.00 5.54 O ATOM 1064 CB LEU A 67 2.231 -1.708 3.799 1.00 7.18 C ATOM 1065 CG LEU A 67 3.470 -0.874 3.307 1.00 9.67 C ATOM 1066 CD1 LEU A 67 4.865 -1.643 3.406 1.00 8.12 C ATOM 1067 CD2 LEU A 67 3.282 -0.286 1.920 1.00 11.66 C ATOM 0 H LEU A 67 2.906 -3.988 4.689 1.00 4.17 H new ATOM 0 HA LEU A 67 2.627 -1.375 5.906 1.00 3.85 H new ATOM 0 HB2 LEU A 67 2.160 -2.601 3.178 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.334 -1.118 3.613 1.00 7.18 H new ATOM 0 HG LEU A 67 3.520 -0.049 4.018 1.00 9.67 H new ATOM 0 HD11 LEU A 67 5.664 -0.995 3.046 1.00 8.12 H new ATOM 0 HD12 LEU A 67 5.058 -1.915 4.444 1.00 8.12 H new ATOM 0 HD13 LEU A 67 4.827 -2.545 2.795 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.172 0.277 1.640 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.121 -1.091 1.202 1.00 11.66 H new ATOM 0 HD23 LEU A 67 2.418 0.378 1.920 1.00 11.66 H new ATOM 1079 N HIS A 68 -0.079 -1.390 5.656 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.471 -1.631 5.989 1.00 4.17 C ATOM 1081 C HIS A 68 -2.361 -1.215 4.833 1.00 5.32 C ATOM 1082 O HIS A 68 -2.368 -0.039 4.395 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.789 -0.855 7.271 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.004 -1.215 8.496 1.00 9.95 C ATOM 1085 ND1 HIS A 68 0.234 -0.678 8.678 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -1.315 -1.968 9.609 1.00 12.79 C ATOM 1087 CE1 HIS A 68 0.661 -1.103 9.898 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -0.251 -1.917 10.511 1.00 16.30 N ATOM 0 H HIS A 68 0.178 -0.418 5.483 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.656 -2.691 6.162 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -1.638 0.206 7.071 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.847 -0.990 7.495 1.00 5.57 H new ATOM 0 HD1 HIS A 68 0.741 -0.076 8.029 1.00 13.74 H new ATOM 0 HD2 HIS A 68 -2.236 -2.511 9.759 1.00 12.79 H new ATOM 0 HE1 HIS A 68 1.611 -0.829 10.332 1.00 14.75 H new ATOM 1096 N LEU A 69 -3.273 -2.101 4.473 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.443 -1.801 3.596 1.00 3.97 C ATOM 1098 C LEU A 69 -5.485 -1.261 4.555 1.00 5.07 C ATOM 1099 O LEU A 69 -5.941 -1.963 5.476 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.953 -2.996 2.758 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.975 -2.705 1.640 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -6.076 -3.934 0.717 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -7.353 -2.229 2.070 1.00 9.96 C ATOM 0 H LEU A 69 -3.241 -3.074 4.776 1.00 5.29 H new ATOM 0 HA LEU A 69 -4.174 -1.090 2.815 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -4.088 -3.480 2.304 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -5.400 -3.718 3.441 1.00 6.08 H new ATOM 0 HG LEU A 69 -5.576 -1.838 1.114 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -6.797 -3.735 -0.076 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.100 -4.140 0.277 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -6.402 -4.798 1.296 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -7.972 -2.062 1.188 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -7.819 -2.986 2.702 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -7.258 -1.298 2.629 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.773 0.027 4.411 1.00 4.29 N ATOM 1116 CA VAL A 70 -6.647 0.820 5.273 1.00 6.26 C ATOM 1117 C VAL A 70 -7.676 1.324 4.304 1.00 9.22 C ATOM 1118 O VAL A 70 -7.349 2.027 3.368 1.00 9.36 O ATOM 1119 CB VAL A 70 -5.916 1.910 6.077 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -6.898 2.958 6.581 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -5.158 1.179 7.192 1.00 8.54 C ATOM 0 H VAL A 70 -5.382 0.579 3.647 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.089 0.247 6.088 1.00 6.26 H new ATOM 0 HB VAL A 70 -5.207 2.472 5.470 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -6.360 3.719 7.147 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -7.400 3.424 5.733 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -7.638 2.483 7.225 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -4.617 1.904 7.800 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.866 0.637 7.819 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -4.452 0.476 6.751 1.00 8.54 H new ATOM 1131 N LEU A 71 -8.923 1.074 4.633 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.051 1.475 3.793 1.00 16.06 C ATOM 1133 C LEU A 71 -10.333 3.000 3.876 1.00 18.09 C ATOM 1134 O LEU A 71 -10.443 3.483 5.005 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.152 0.490 4.185 1.00 17.10 C ATOM 1136 CG LEU A 71 -10.884 -0.946 3.774 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -11.927 -1.928 4.207 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -10.703 -1.018 2.210 1.00 19.57 C ATOM 0 H LEU A 71 -9.194 0.588 5.488 1.00 12.71 H new ATOM 0 HA LEU A 71 -9.892 1.398 2.717 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.287 0.526 5.266 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -12.090 0.815 3.735 1.00 17.10 H new ATOM 0 HG LEU A 71 -9.972 -1.240 4.294 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -11.650 -2.926 3.868 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.003 -1.922 5.294 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -12.889 -1.652 3.774 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -10.510 -2.049 1.913 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -11.611 -0.663 1.722 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -9.862 -0.391 1.912 1.00 19.57 H new ATOM 1150 N ARG A 72 -10.307 3.695 2.725 1.00 21.47 N ATOM 1151 CA ARG A 72 -10.559 5.090 2.611 1.00 25.83 C ATOM 1152 C ARG A 72 -12.051 5.387 2.800 1.00 27.74 C ATOM 1153 O ARG A 72 -12.890 4.764 2.106 1.00 30.65 O ATOM 1154 CB ARG A 72 -10.086 5.698 1.303 1.00 28.49 C ATOM 1155 CG ARG A 72 -10.213 7.218 1.154 1.00 31.79 C ATOM 1156 CD ARG A 72 -9.379 7.686 0.001 1.00 34.05 C ATOM 1157 NE ARG A 72 -9.809 9.062 -0.212 1.00 35.08 N ATOM 1158 CZ ARG A 72 -9.024 9.899 -0.878 1.00 34.67 C ATOM 1159 NH1 ARG A 72 -8.311 9.497 -1.921 1.00 34.97 N ATOM 1160 NH2 ARG A 72 -9.044 11.209 -0.653 1.00 35.02 N ATOM 0 H ARG A 72 -10.098 3.256 1.828 1.00 21.47 H new ATOM 0 HA ARG A 72 -9.975 5.556 3.405 1.00 25.83 H new ATOM 0 HB2 ARG A 72 -9.038 5.431 1.165 1.00 28.49 H new ATOM 0 HB3 ARG A 72 -10.644 5.231 0.491 1.00 28.49 H new ATOM 0 HG2 ARG A 72 -11.256 7.491 0.995 1.00 31.79 H new ATOM 0 HG3 ARG A 72 -9.891 7.711 2.071 1.00 31.79 H new ATOM 0 HD2 ARG A 72 -8.315 7.632 0.231 1.00 34.05 H new ATOM 0 HD3 ARG A 72 -9.545 7.074 -0.886 1.00 34.05 H new ATOM 0 HE ARG A 72 -10.708 9.380 0.149 1.00 35.08 H new ATOM 0 HH11 ARG A 72 -8.359 8.525 -2.227 1.00 34.97 H new ATOM 0 HH12 ARG A 72 -7.715 10.159 -2.417 1.00 34.97 H new ATOM 0 HH21 ARG A 72 -9.675 11.596 0.048 1.00 35.02 H new ATOM 0 HH22 ARG A 72 -8.428 11.827 -1.182 1.00 35.02 H new ATOM 1174 N LEU A 73 -12.348 6.358 3.713 1.00 28.93 N ATOM 1175 CA LEU A 73 -13.652 6.606 4.242 1.00 30.76 C ATOM 1176 C LEU A 73 -13.830 8.158 4.146 1.00 32.18 C ATOM 1177 O LEU A 73 -12.906 8.858 4.397 1.00 32.31 O ATOM 1178 CB LEU A 73 -13.928 6.053 5.729 1.00 30.53 C ATOM 1179 CG LEU A 73 -13.678 4.566 5.930 1.00 30.16 C ATOM 1180 CD1 LEU A 73 -13.872 4.158 7.401 1.00 29.57 C ATOM 1181 CD2 LEU A 73 -14.552 3.666 5.060 1.00 29.11 C ATOM 0 H LEU A 73 -11.640 6.989 4.089 1.00 28.93 H new ATOM 0 HA LEU A 73 -14.389 6.048 3.664 1.00 30.76 H new ATOM 0 HB2 LEU A 73 -13.300 6.607 6.427 1.00 30.53 H new ATOM 0 HB3 LEU A 73 -14.964 6.269 5.992 1.00 30.53 H new ATOM 0 HG LEU A 73 -12.642 4.418 5.625 1.00 30.16 H new ATOM 0 HD11 LEU A 73 -13.686 3.090 7.510 1.00 29.57 H new ATOM 0 HD12 LEU A 73 -13.174 4.714 8.028 1.00 29.57 H new ATOM 0 HD13 LEU A 73 -14.893 4.381 7.709 1.00 29.57 H new ATOM 0 HD21 LEU A 73 -14.313 2.622 5.262 1.00 29.11 H new ATOM 0 HD22 LEU A 73 -15.602 3.849 5.287 1.00 29.11 H new ATOM 0 HD23 LEU A 73 -14.365 3.884 4.008 1.00 29.11 H new ATOM 1193 N ARG A 74 -15.021 8.594 3.707 1.00 33.82 N ATOM 1194 CA ARG A 74 -15.162 9.953 3.244 1.00 35.33 C ATOM 1195 C ARG A 74 -15.482 10.952 4.367 1.00 36.22 C ATOM 1196 O ARG A 74 -15.295 12.163 4.234 1.00 36.70 O ATOM 1197 CB ARG A 74 -16.009 10.104 1.966 1.00 36.91 C ATOM 1198 CG ARG A 74 -15.562 9.326 0.670 1.00 38.62 C ATOM 1199 CD ARG A 74 -14.508 10.033 -0.164 1.00 39.75 C ATOM 1200 NE ARG A 74 -13.797 9.020 -1.025 1.00 41.13 N ATOM 1201 CZ ARG A 74 -12.790 9.261 -1.822 1.00 41.91 C ATOM 1202 NH1 ARG A 74 -12.292 10.436 -2.204 1.00 42.75 N ATOM 1203 NH2 ARG A 74 -12.238 8.166 -2.391 1.00 41.93 N ATOM 0 H ARG A 74 -15.870 8.031 3.669 1.00 33.82 H new ATOM 0 HA ARG A 74 -14.167 10.245 2.909 1.00 35.33 H new ATOM 0 HB2 ARG A 74 -17.026 9.794 2.204 1.00 36.91 H new ATOM 0 HB3 ARG A 74 -16.049 11.165 1.718 1.00 36.91 H new ATOM 0 HG2 ARG A 74 -15.178 8.349 0.964 1.00 38.62 H new ATOM 0 HG3 ARG A 74 -16.440 9.150 0.048 1.00 38.62 H new ATOM 0 HD2 ARG A 74 -14.972 10.797 -0.788 1.00 39.75 H new ATOM 0 HD3 ARG A 74 -13.795 10.542 0.484 1.00 39.75 H new ATOM 0 HE ARG A 74 -14.133 8.058 -0.981 1.00 41.13 H new ATOM 0 HH11 ARG A 74 -12.709 11.302 -1.863 1.00 42.75 H new ATOM 0 HH12 ARG A 74 -11.493 10.470 -2.838 1.00 42.75 H new ATOM 0 HH21 ARG A 74 -12.613 7.240 -2.184 1.00 41.93 H new ATOM 0 HH22 ARG A 74 -11.447 8.266 -3.027 1.00 41.93 H new ATOM 1217 N GLY A 75 -15.944 10.521 5.545 1.00 36.31 N ATOM 1218 CA GLY A 75 -16.079 11.321 6.751 1.00 36.07 C ATOM 1219 C GLY A 75 -14.905 11.262 7.641 1.00 36.16 C ATOM 1220 O GLY A 75 -14.868 11.879 8.690 1.00 36.26 O ATOM 0 H GLY A 75 -16.247 9.557 5.683 1.00 36.31 H new ATOM 0 HA2 GLY A 75 -16.257 12.359 6.469 1.00 36.07 H new ATOM 0 HA3 GLY A 75 -16.958 10.985 7.302 1.00 36.07 H new ATOM 1224 N GLY A 76 -13.857 10.501 7.225 1.00 36.05 N ATOM 1225 CA GLY A 76 -12.628 10.392 7.963 1.00 36.19 C ATOM 1226 C GLY A 76 -11.492 9.749 7.244 1.00 36.20 C ATOM 1227 O GLY A 76 -10.966 8.690 7.718 1.00 0.00 O ATOM 1228 OXT GLY A 76 -10.966 10.391 6.242 1.00 0.00 O ATOM 0 H GLY A 76 -13.869 9.956 6.363 1.00 36.05 H new ATOM 0 HA2 GLY A 76 -12.320 11.392 8.268 1.00 36.19 H new ATOM 0 HA3 GLY A 76 -12.823 9.826 8.874 1.00 36.19 H new TER 1232 GLY A 76