USER MOD reduce.3.24.130724 H: found=0, std=0, add=587, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 586 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 22 THR OG1 : rot 180:sc= 0.00167 USER MOD Set 1.2: A 25 ASN : amide:sc= 0.286 K(o=0.29,f=-4.2!) USER MOD Set 2.1: A 7 THR OG1 : rot 180:sc= 0 USER MOD Set 2.2: A 9 THR OG1 : rot 180:sc= 0.00619 USER MOD Set 3.1: A 6 LYS NZ :NH3+ -151:sc= 1.76 (180deg=0.0943) USER MOD Set 3.2: A 12 THR OG1 : rot 180:sc= 0.962 USER MOD Single : A 1 MET CE :methyl -126:sc= -0.162 (180deg=-0.316) USER MOD Single : A 1 MET N :NH3+ -179:sc= 2.36 (180deg=2.31) USER MOD Single : A 2 GLN : amide:sc= 0.00164 X(o=0.0016,f=0) USER MOD Single : A 11 LYS NZ :NH3+ -141:sc= 1.26 (180deg=-0.346!) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ -174:sc= 1.16 (180deg=1.1) USER MOD Single : A 29 LYS NZ :NH3+ 174:sc= 0.0111 (180deg=0.00439) USER MOD Single : A 31 GLN : amide:sc= -0.0167 X(o=-0.017,f=-0.015) USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= -1.17 K(o=-1.2,f=-2.5) USER MOD Single : A 41 GLN : amide:sc= 0.946 K(o=0.95,f=-2.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 55 THR OG1 : rot -51:sc= 1.3 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= 0.122 USER MOD Single : A 60 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 GLN : amide:sc= 0 K(o=0,f=-0.93) USER MOD Single : A 63 LYS NZ :NH3+ 169:sc=-0.00677 (180deg=-0.136) USER MOD Single : A 65 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 68 HIS : no HD1:sc= -0.0433 X(o=-0.043,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 11.066 -6.915 -5.448 1.00 9.67 N ATOM 2 CA MET A 1 11.082 -6.855 -3.943 1.00 10.38 C ATOM 3 C MET A 1 9.753 -7.278 -3.361 1.00 9.62 C ATOM 4 O MET A 1 8.673 -6.830 -3.694 1.00 9.62 O ATOM 5 CB MET A 1 11.376 -5.372 -3.405 1.00 13.77 C ATOM 6 CG MET A 1 11.603 -5.207 -1.924 1.00 16.29 C ATOM 7 SD MET A 1 12.321 -3.527 -1.618 1.00 17.17 S ATOM 8 CE MET A 1 10.796 -2.645 -1.731 1.00 16.11 C ATOM 0 H1 MET A 1 11.997 -6.635 -5.817 1.00 9.67 H new ATOM 0 H2 MET A 1 10.849 -7.885 -5.754 1.00 9.67 H new ATOM 0 H3 MET A 1 10.340 -6.266 -5.814 1.00 9.67 H new ATOM 0 HA MET A 1 11.876 -7.534 -3.630 1.00 10.38 H new ATOM 0 HB2 MET A 1 12.255 -4.992 -3.926 1.00 13.77 H new ATOM 0 HB3 MET A 1 10.537 -4.737 -3.691 1.00 13.77 H new ATOM 0 HG2 MET A 1 10.664 -5.321 -1.383 1.00 16.29 H new ATOM 0 HG3 MET A 1 12.279 -5.980 -1.557 1.00 16.29 H new ATOM 0 HE1 MET A 1 10.891 -1.846 -2.467 1.00 16.11 H new ATOM 0 HE2 MET A 1 10.003 -3.327 -2.037 1.00 16.11 H new ATOM 0 HE3 MET A 1 10.551 -2.216 -0.759 1.00 16.11 H new ATOM 20 N GLN A 2 9.827 -8.323 -2.505 1.00 9.27 N ATOM 21 CA GLN A 2 8.650 -8.760 -1.708 1.00 9.07 C ATOM 22 C GLN A 2 8.264 -7.820 -0.581 1.00 8.72 C ATOM 23 O GLN A 2 9.116 -7.173 0.034 1.00 8.22 O ATOM 24 CB GLN A 2 8.986 -10.179 -1.213 1.00 14.46 C ATOM 25 CG GLN A 2 7.676 -10.864 -0.690 1.00 17.01 C ATOM 26 CD GLN A 2 7.767 -12.360 -0.412 1.00 20.10 C ATOM 27 OE1 GLN A 2 7.911 -13.202 -1.289 1.00 21.89 O ATOM 28 NE2 GLN A 2 7.793 -12.787 0.871 1.00 19.49 N ATOM 0 H GLN A 2 10.672 -8.873 -2.347 1.00 9.27 H new ATOM 0 HA GLN A 2 7.757 -8.750 -2.333 1.00 9.07 H new ATOM 0 HB2 GLN A 2 9.420 -10.766 -2.022 1.00 14.46 H new ATOM 0 HB3 GLN A 2 9.730 -10.133 -0.418 1.00 14.46 H new ATOM 0 HG2 GLN A 2 7.369 -10.362 0.228 1.00 17.01 H new ATOM 0 HG3 GLN A 2 6.886 -10.699 -1.423 1.00 17.01 H new ATOM 0 HE21 GLN A 2 7.677 -12.119 1.633 1.00 19.49 H new ATOM 0 HE22 GLN A 2 7.929 -13.777 1.076 1.00 19.49 H new ATOM 37 N ILE A 3 6.935 -7.735 -0.279 1.00 5.87 N ATOM 38 CA ILE A 3 6.415 -6.975 0.827 1.00 5.07 C ATOM 39 C ILE A 3 5.128 -7.684 1.232 1.00 4.01 C ATOM 40 O ILE A 3 4.613 -8.571 0.511 1.00 4.61 O ATOM 41 CB ILE A 3 6.133 -5.499 0.571 1.00 6.55 C ATOM 42 CG1 ILE A 3 5.363 -5.284 -0.678 1.00 4.72 C ATOM 43 CG2 ILE A 3 7.361 -4.586 0.767 1.00 5.58 C ATOM 44 CD1 ILE A 3 4.790 -3.909 -0.852 1.00 10.83 C ATOM 0 H ILE A 3 6.212 -8.209 -0.821 1.00 5.87 H new ATOM 0 HA ILE A 3 7.184 -6.946 1.599 1.00 5.07 H new ATOM 0 HB ILE A 3 5.464 -5.164 1.364 1.00 6.55 H new ATOM 0 HG12 ILE A 3 6.013 -5.499 -1.527 1.00 4.72 H new ATOM 0 HG13 ILE A 3 4.547 -6.006 -0.711 1.00 4.72 H new ATOM 0 HG21 ILE A 3 7.081 -3.552 0.567 1.00 5.58 H new ATOM 0 HG22 ILE A 3 7.719 -4.673 1.793 1.00 5.58 H new ATOM 0 HG23 ILE A 3 8.152 -4.887 0.080 1.00 5.58 H new ATOM 0 HD11 ILE A 3 4.247 -3.858 -1.796 1.00 10.83 H new ATOM 0 HD12 ILE A 3 4.109 -3.692 -0.029 1.00 10.83 H new ATOM 0 HD13 ILE A 3 5.597 -3.177 -0.858 1.00 10.83 H new ATOM 56 N PHE A 4 4.522 -7.261 2.402 1.00 4.55 N ATOM 57 CA PHE A 4 3.338 -7.848 2.915 1.00 4.68 C ATOM 58 C PHE A 4 2.377 -6.637 3.128 1.00 5.30 C ATOM 59 O PHE A 4 2.813 -5.525 3.478 1.00 5.58 O ATOM 60 CB PHE A 4 3.518 -8.598 4.260 1.00 4.83 C ATOM 61 CG PHE A 4 4.417 -9.789 4.151 1.00 7.97 C ATOM 62 CD1 PHE A 4 4.088 -10.890 3.297 1.00 6.69 C ATOM 63 CD2 PHE A 4 5.621 -9.718 4.842 1.00 8.34 C ATOM 64 CE1 PHE A 4 5.000 -11.939 3.149 1.00 9.10 C ATOM 65 CE2 PHE A 4 6.491 -10.851 4.733 1.00 10.61 C ATOM 66 CZ PHE A 4 6.187 -11.877 3.901 1.00 8.90 C ATOM 0 H PHE A 4 4.884 -6.499 2.975 1.00 4.55 H new ATOM 0 HA PHE A 4 2.977 -8.609 2.223 1.00 4.68 H new ATOM 0 HB2 PHE A 4 3.924 -7.910 5.001 1.00 4.83 H new ATOM 0 HB3 PHE A 4 2.542 -8.919 4.624 1.00 4.83 H new ATOM 0 HD1 PHE A 4 3.144 -10.910 2.772 1.00 6.69 H new ATOM 0 HD2 PHE A 4 5.887 -8.853 5.431 1.00 8.34 H new ATOM 0 HE1 PHE A 4 4.801 -12.765 2.483 1.00 9.10 H new ATOM 0 HE2 PHE A 4 7.397 -10.888 5.319 1.00 10.61 H new ATOM 0 HZ PHE A 4 6.893 -12.689 3.811 1.00 8.90 H new ATOM 76 N VAL A 5 1.058 -6.789 2.859 1.00 4.44 N ATOM 77 CA VAL A 5 0.028 -5.747 3.167 1.00 3.87 C ATOM 78 C VAL A 5 -1.062 -6.276 4.027 1.00 4.93 C ATOM 79 O VAL A 5 -1.558 -7.320 3.673 1.00 6.84 O ATOM 80 CB VAL A 5 -0.564 -5.214 1.835 1.00 2.99 C ATOM 81 CG1 VAL A 5 -1.686 -4.162 2.100 1.00 5.28 C ATOM 82 CG2 VAL A 5 0.596 -4.694 1.017 1.00 9.13 C ATOM 0 H VAL A 5 0.672 -7.628 2.426 1.00 4.44 H new ATOM 0 HA VAL A 5 0.513 -4.942 3.718 1.00 3.87 H new ATOM 0 HB VAL A 5 -1.064 -5.999 1.268 1.00 2.99 H new ATOM 0 HG11 VAL A 5 -2.083 -3.806 1.149 1.00 5.28 H new ATOM 0 HG12 VAL A 5 -2.487 -4.622 2.678 1.00 5.28 H new ATOM 0 HG13 VAL A 5 -1.273 -3.322 2.658 1.00 5.28 H new ATOM 0 HG21 VAL A 5 0.227 -4.307 0.067 1.00 9.13 H new ATOM 0 HG22 VAL A 5 1.098 -3.895 1.564 1.00 9.13 H new ATOM 0 HG23 VAL A 5 1.301 -5.504 0.830 1.00 9.13 H new ATOM 92 N LYS A 6 -1.475 -5.633 5.183 1.00 6.04 N ATOM 93 CA LYS A 6 -2.524 -6.088 6.076 1.00 6.12 C ATOM 94 C LYS A 6 -3.850 -5.391 5.764 1.00 6.57 C ATOM 95 O LYS A 6 -4.073 -4.197 6.125 1.00 5.76 O ATOM 96 CB LYS A 6 -2.240 -5.849 7.567 1.00 7.45 C ATOM 97 CG LYS A 6 -0.957 -6.414 8.145 1.00 11.12 C ATOM 98 CD LYS A 6 -0.989 -7.958 8.242 1.00 14.54 C ATOM 99 CE LYS A 6 -2.211 -8.529 8.803 1.00 18.84 C ATOM 100 NZ LYS A 6 -2.084 -9.977 8.950 1.00 20.55 N ATOM 0 H LYS A 6 -1.049 -4.760 5.494 1.00 6.04 H new ATOM 0 HA LYS A 6 -2.572 -7.163 5.901 1.00 6.12 H new ATOM 0 HB2 LYS A 6 -2.238 -4.773 7.739 1.00 7.45 H new ATOM 0 HB3 LYS A 6 -3.073 -6.261 8.136 1.00 7.45 H new ATOM 0 HG2 LYS A 6 -0.115 -6.108 7.524 1.00 11.12 H new ATOM 0 HG3 LYS A 6 -0.791 -5.993 9.137 1.00 11.12 H new ATOM 0 HD2 LYS A 6 -0.841 -8.370 7.244 1.00 14.54 H new ATOM 0 HD3 LYS A 6 -0.145 -8.284 8.849 1.00 14.54 H new ATOM 0 HE2 LYS A 6 -2.418 -8.077 9.773 1.00 18.84 H new ATOM 0 HE3 LYS A 6 -3.057 -8.297 8.156 1.00 18.84 H new ATOM 0 HZ1 LYS A 6 -3.022 -10.418 8.866 1.00 20.55 H new ATOM 0 HZ2 LYS A 6 -1.459 -10.348 8.206 1.00 20.55 H new ATOM 0 HZ3 LYS A 6 -1.680 -10.197 9.883 1.00 20.55 H new ATOM 114 N THR A 7 -4.765 -6.061 5.022 1.00 7.41 N ATOM 115 CA THR A 7 -6.144 -5.725 4.675 1.00 7.48 C ATOM 116 C THR A 7 -7.062 -5.323 5.758 1.00 8.75 C ATOM 117 O THR A 7 -6.867 -5.668 6.879 1.00 8.58 O ATOM 118 CB THR A 7 -6.878 -6.675 3.685 1.00 9.61 C ATOM 119 OG1 THR A 7 -7.704 -7.745 4.259 1.00 11.78 O ATOM 120 CG2 THR A 7 -5.911 -7.293 2.736 1.00 9.17 C ATOM 0 H THR A 7 -4.509 -6.958 4.608 1.00 7.41 H new ATOM 0 HA THR A 7 -5.902 -4.810 4.135 1.00 7.48 H new ATOM 0 HB THR A 7 -7.582 -6.003 3.194 1.00 9.61 H new ATOM 0 HG1 THR A 7 -8.110 -8.268 3.537 1.00 11.78 H new ATOM 0 HG21 THR A 7 -6.444 -7.954 2.052 1.00 9.17 H new ATOM 0 HG22 THR A 7 -5.409 -6.510 2.167 1.00 9.17 H new ATOM 0 HG23 THR A 7 -5.171 -7.868 3.293 1.00 9.17 H new ATOM 128 N LEU A 8 -8.240 -4.769 5.440 1.00 9.84 N ATOM 129 CA LEU A 8 -9.143 -4.246 6.417 1.00 14.15 C ATOM 130 C LEU A 8 -9.637 -5.327 7.364 1.00 17.37 C ATOM 131 O LEU A 8 -9.731 -5.204 8.588 1.00 17.01 O ATOM 132 CB LEU A 8 -10.314 -3.452 5.669 1.00 16.63 C ATOM 133 CG LEU A 8 -11.140 -2.348 6.450 1.00 18.88 C ATOM 134 CD1 LEU A 8 -11.866 -3.003 7.675 1.00 19.31 C ATOM 135 CD2 LEU A 8 -10.255 -1.167 6.885 1.00 18.59 C ATOM 0 H LEU A 8 -8.576 -4.681 4.481 1.00 9.84 H new ATOM 0 HA LEU A 8 -8.624 -3.536 7.061 1.00 14.15 H new ATOM 0 HB2 LEU A 8 -9.874 -2.972 4.795 1.00 16.63 H new ATOM 0 HB3 LEU A 8 -11.026 -4.192 5.302 1.00 16.63 H new ATOM 0 HG LEU A 8 -11.890 -1.937 5.774 1.00 18.88 H new ATOM 0 HD11 LEU A 8 -12.434 -2.242 8.211 1.00 19.31 H new ATOM 0 HD12 LEU A 8 -12.544 -3.781 7.323 1.00 19.31 H new ATOM 0 HD13 LEU A 8 -11.126 -3.442 8.344 1.00 19.31 H new ATOM 0 HD21 LEU A 8 -10.862 -0.434 7.417 1.00 18.59 H new ATOM 0 HD22 LEU A 8 -9.464 -1.528 7.542 1.00 18.59 H new ATOM 0 HD23 LEU A 8 -9.812 -0.701 6.005 1.00 18.59 H new ATOM 147 N THR A 9 -9.919 -6.542 6.876 1.00 18.33 N ATOM 148 CA THR A 9 -10.427 -7.739 7.578 1.00 19.24 C ATOM 149 C THR A 9 -9.270 -8.534 8.044 1.00 19.48 C ATOM 150 O THR A 9 -9.388 -9.641 8.581 1.00 23.14 O ATOM 151 CB THR A 9 -11.376 -8.591 6.708 1.00 18.97 C ATOM 152 OG1 THR A 9 -10.695 -8.868 5.468 1.00 20.24 O ATOM 153 CG2 THR A 9 -12.617 -7.790 6.481 1.00 19.70 C ATOM 0 H THR A 9 -9.786 -6.735 5.883 1.00 18.33 H new ATOM 0 HA THR A 9 -11.027 -7.411 8.427 1.00 19.24 H new ATOM 0 HB THR A 9 -11.647 -9.535 7.181 1.00 18.97 H new ATOM 0 HG1 THR A 9 -11.273 -9.411 4.892 1.00 20.24 H new ATOM 0 HG21 THR A 9 -13.313 -8.363 5.868 1.00 19.70 H new ATOM 0 HG22 THR A 9 -13.082 -7.560 7.440 1.00 19.70 H new ATOM 0 HG23 THR A 9 -12.362 -6.862 5.970 1.00 19.70 H new ATOM 161 N GLY A 10 -8.026 -8.009 7.947 1.00 19.43 N ATOM 162 CA GLY A 10 -6.746 -8.377 8.622 1.00 18.74 C ATOM 163 C GLY A 10 -5.912 -9.475 7.958 1.00 17.62 C ATOM 164 O GLY A 10 -4.918 -9.930 8.426 1.00 19.74 O ATOM 0 H GLY A 10 -7.871 -7.221 7.318 1.00 19.43 H new ATOM 0 HA2 GLY A 10 -6.131 -7.480 8.697 1.00 18.74 H new ATOM 0 HA3 GLY A 10 -6.976 -8.692 9.640 1.00 18.74 H new ATOM 168 N LYS A 11 -6.302 -9.965 6.744 1.00 13.56 N ATOM 169 CA LYS A 11 -5.501 -10.822 5.918 1.00 11.91 C ATOM 170 C LYS A 11 -4.171 -10.153 5.498 1.00 10.18 C ATOM 171 O LYS A 11 -4.101 -8.981 5.086 1.00 9.10 O ATOM 172 CB LYS A 11 -6.316 -11.169 4.631 1.00 13.43 C ATOM 173 CG LYS A 11 -5.579 -11.945 3.494 1.00 16.69 C ATOM 174 CD LYS A 11 -6.499 -11.925 2.310 1.00 17.92 C ATOM 175 CE LYS A 11 -6.128 -12.912 1.208 1.00 20.81 C ATOM 176 NZ LYS A 11 -7.131 -12.812 0.084 1.00 21.93 N ATOM 0 H LYS A 11 -7.210 -9.750 6.333 1.00 13.56 H new ATOM 0 HA LYS A 11 -5.257 -11.716 6.493 1.00 11.91 H new ATOM 0 HB2 LYS A 11 -7.183 -11.757 4.931 1.00 13.43 H new ATOM 0 HB3 LYS A 11 -6.693 -10.237 4.211 1.00 13.43 H new ATOM 0 HG2 LYS A 11 -4.626 -11.473 3.255 1.00 16.69 H new ATOM 0 HG3 LYS A 11 -5.360 -12.968 3.800 1.00 16.69 H new ATOM 0 HD2 LYS A 11 -7.512 -12.141 2.649 1.00 17.92 H new ATOM 0 HD3 LYS A 11 -6.511 -10.919 1.891 1.00 17.92 H new ATOM 0 HE2 LYS A 11 -5.126 -12.698 0.836 1.00 20.81 H new ATOM 0 HE3 LYS A 11 -6.111 -13.927 1.605 1.00 20.81 H new ATOM 0 HZ1 LYS A 11 -7.333 -13.762 -0.287 1.00 21.93 H new ATOM 0 HZ2 LYS A 11 -8.010 -12.386 0.440 1.00 21.93 H new ATOM 0 HZ3 LYS A 11 -6.742 -12.219 -0.677 1.00 21.93 H new ATOM 190 N THR A 12 -3.082 -10.952 5.499 1.00 9.63 N ATOM 191 CA THR A 12 -1.843 -10.596 4.816 1.00 9.85 C ATOM 192 C THR A 12 -1.920 -11.058 3.391 1.00 11.66 C ATOM 193 O THR A 12 -2.259 -12.204 3.081 1.00 12.33 O ATOM 194 CB THR A 12 -0.623 -11.334 5.418 1.00 10.85 C ATOM 195 OG1 THR A 12 -0.780 -11.208 6.807 1.00 10.91 O ATOM 196 CG2 THR A 12 0.611 -10.462 5.043 1.00 9.63 C ATOM 0 H THR A 12 -3.048 -11.854 5.973 1.00 9.63 H new ATOM 0 HA THR A 12 -1.725 -9.517 4.913 1.00 9.85 H new ATOM 0 HB THR A 12 -0.524 -12.368 5.088 1.00 10.85 H new ATOM 0 HG1 THR A 12 -0.038 -11.657 7.262 1.00 10.91 H new ATOM 0 HG21 THR A 12 1.516 -10.924 5.437 1.00 9.63 H new ATOM 0 HG22 THR A 12 0.686 -10.385 3.958 1.00 9.63 H new ATOM 0 HG23 THR A 12 0.496 -9.466 5.470 1.00 9.63 H new ATOM 204 N ILE A 13 -1.674 -10.104 2.459 1.00 10.42 N ATOM 205 CA ILE A 13 -1.479 -10.310 1.050 1.00 11.84 C ATOM 206 C ILE A 13 -0.018 -10.046 0.739 1.00 10.55 C ATOM 207 O ILE A 13 0.602 -9.102 1.288 1.00 11.92 O ATOM 208 CB ILE A 13 -2.431 -9.469 0.119 1.00 14.86 C ATOM 209 CG1 ILE A 13 -2.443 -7.968 0.393 1.00 14.87 C ATOM 210 CG2 ILE A 13 -3.831 -10.115 0.273 1.00 17.08 C ATOM 211 CD1 ILE A 13 -3.332 -7.149 -0.505 1.00 16.46 C ATOM 0 H ILE A 13 -1.607 -9.119 2.714 1.00 10.42 H new ATOM 0 HA ILE A 13 -1.749 -11.342 0.827 1.00 11.84 H new ATOM 0 HB ILE A 13 -2.069 -9.508 -0.908 1.00 14.86 H new ATOM 0 HG12 ILE A 13 -2.754 -7.808 1.425 1.00 14.87 H new ATOM 0 HG13 ILE A 13 -1.423 -7.593 0.305 1.00 14.87 H new ATOM 0 HG21 ILE A 13 -4.549 -9.580 -0.349 1.00 17.08 H new ATOM 0 HG22 ILE A 13 -3.787 -11.158 -0.040 1.00 17.08 H new ATOM 0 HG23 ILE A 13 -4.144 -10.062 1.316 1.00 17.08 H new ATOM 0 HD11 ILE A 13 -3.265 -6.098 -0.223 1.00 16.46 H new ATOM 0 HD12 ILE A 13 -3.012 -7.268 -1.540 1.00 16.46 H new ATOM 0 HD13 ILE A 13 -4.363 -7.487 -0.402 1.00 16.46 H new ATOM 223 N THR A 14 0.609 -10.831 -0.112 1.00 9.39 N ATOM 224 CA THR A 14 1.970 -10.600 -0.474 1.00 9.63 C ATOM 225 C THR A 14 1.959 -9.684 -1.702 1.00 11.20 C ATOM 226 O THR A 14 0.955 -9.730 -2.423 1.00 11.63 O ATOM 227 CB THR A 14 2.661 -11.909 -0.862 1.00 10.38 C ATOM 228 OG1 THR A 14 2.268 -12.946 0.037 1.00 16.30 O ATOM 229 CG2 THR A 14 4.170 -11.735 -0.818 1.00 11.66 C ATOM 0 H THR A 14 0.182 -11.640 -0.564 1.00 9.39 H new ATOM 0 HA THR A 14 2.505 -10.160 0.368 1.00 9.63 H new ATOM 0 HB THR A 14 2.365 -12.180 -1.876 1.00 10.38 H new ATOM 0 HG1 THR A 14 2.711 -13.783 -0.215 1.00 16.30 H new ATOM 0 HG21 THR A 14 4.653 -12.672 -1.096 1.00 11.66 H new ATOM 0 HG22 THR A 14 4.467 -10.953 -1.517 1.00 11.66 H new ATOM 0 HG23 THR A 14 4.475 -11.455 0.190 1.00 11.66 H new ATOM 237 N LEU A 15 3.010 -8.887 -1.909 1.00 8.29 N ATOM 238 CA LEU A 15 3.109 -8.179 -3.165 1.00 9.03 C ATOM 239 C LEU A 15 4.527 -8.210 -3.726 1.00 8.59 C ATOM 240 O LEU A 15 5.414 -8.650 -3.045 1.00 7.79 O ATOM 241 CB LEU A 15 2.715 -6.665 -3.020 1.00 11.08 C ATOM 242 CG LEU A 15 1.285 -6.281 -2.618 1.00 15.79 C ATOM 243 CD1 LEU A 15 1.146 -4.793 -2.309 1.00 15.88 C ATOM 244 CD2 LEU A 15 0.278 -6.668 -3.741 1.00 15.27 C ATOM 0 H LEU A 15 3.770 -8.726 -1.248 1.00 8.29 H new ATOM 0 HA LEU A 15 2.419 -8.691 -3.836 1.00 9.03 H new ATOM 0 HB2 LEU A 15 3.388 -6.223 -2.285 1.00 11.08 H new ATOM 0 HB3 LEU A 15 2.924 -6.182 -3.975 1.00 11.08 H new ATOM 0 HG LEU A 15 1.058 -6.836 -1.708 1.00 15.79 H new ATOM 0 HD11 LEU A 15 0.115 -4.574 -2.030 1.00 15.88 H new ATOM 0 HD12 LEU A 15 1.809 -4.529 -1.485 1.00 15.88 H new ATOM 0 HD13 LEU A 15 1.414 -4.212 -3.191 1.00 15.88 H new ATOM 0 HD21 LEU A 15 -0.731 -6.388 -3.438 1.00 15.27 H new ATOM 0 HD22 LEU A 15 0.539 -6.144 -4.660 1.00 15.27 H new ATOM 0 HD23 LEU A 15 0.320 -7.744 -3.912 1.00 15.27 H new ATOM 256 N GLU A 16 4.715 -7.820 -5.021 1.00 11.04 N ATOM 257 CA GLU A 16 6.018 -7.705 -5.654 1.00 11.50 C ATOM 258 C GLU A 16 6.240 -6.424 -6.289 1.00 10.13 C ATOM 259 O GLU A 16 5.475 -6.048 -7.220 1.00 9.83 O ATOM 260 CB GLU A 16 6.255 -8.891 -6.614 1.00 17.22 C ATOM 261 CG GLU A 16 7.688 -9.094 -7.241 1.00 23.33 C ATOM 262 CD GLU A 16 8.736 -9.675 -6.293 1.00 26.99 C ATOM 263 OE1 GLU A 16 8.398 -10.643 -5.579 1.00 28.90 O ATOM 264 OE2 GLU A 16 9.875 -9.164 -6.257 1.00 28.86 O ATOM 0 H GLU A 16 3.943 -7.579 -5.642 1.00 11.04 H new ATOM 0 HA GLU A 16 6.765 -7.753 -4.862 1.00 11.50 H new ATOM 0 HB2 GLU A 16 5.998 -9.805 -6.078 1.00 17.22 H new ATOM 0 HB3 GLU A 16 5.547 -8.795 -7.437 1.00 17.22 H new ATOM 0 HG2 GLU A 16 7.599 -9.752 -8.106 1.00 23.33 H new ATOM 0 HG3 GLU A 16 8.046 -8.132 -7.608 1.00 23.33 H new ATOM 271 N VAL A 17 7.233 -5.657 -5.853 1.00 8.99 N ATOM 272 CA VAL A 17 7.371 -4.221 -6.206 1.00 8.85 C ATOM 273 C VAL A 17 8.852 -3.871 -6.467 1.00 8.04 C ATOM 274 O VAL A 17 9.800 -4.578 -6.100 1.00 8.99 O ATOM 275 CB VAL A 17 6.895 -3.317 -5.077 1.00 9.78 C ATOM 276 CG1 VAL A 17 5.368 -3.469 -4.919 1.00 12.05 C ATOM 277 CG2 VAL A 17 7.605 -3.777 -3.781 1.00 10.54 C ATOM 0 H VAL A 17 7.974 -6.000 -5.242 1.00 8.99 H new ATOM 0 HA VAL A 17 6.763 -4.060 -7.096 1.00 8.85 H new ATOM 0 HB VAL A 17 7.126 -2.272 -5.286 1.00 9.78 H new ATOM 0 HG11 VAL A 17 5.020 -2.824 -4.112 1.00 12.05 H new ATOM 0 HG12 VAL A 17 4.876 -3.184 -5.849 1.00 12.05 H new ATOM 0 HG13 VAL A 17 5.128 -4.506 -4.684 1.00 12.05 H new ATOM 0 HG21 VAL A 17 7.286 -3.149 -2.949 1.00 10.54 H new ATOM 0 HG22 VAL A 17 7.345 -4.815 -3.573 1.00 10.54 H new ATOM 0 HG23 VAL A 17 8.684 -3.692 -3.907 1.00 10.54 H new ATOM 287 N GLU A 18 9.105 -2.766 -7.156 1.00 7.29 N ATOM 288 CA GLU A 18 10.481 -2.197 -7.150 1.00 7.08 C ATOM 289 C GLU A 18 10.553 -1.127 -6.089 1.00 6.45 C ATOM 290 O GLU A 18 9.533 -0.547 -5.769 1.00 5.28 O ATOM 291 CB GLU A 18 10.789 -1.555 -8.539 1.00 10.28 C ATOM 292 CG GLU A 18 11.060 -2.650 -9.626 1.00 12.65 C ATOM 293 CD GLU A 18 12.388 -3.377 -9.362 1.00 14.15 C ATOM 294 OE1 GLU A 18 13.461 -2.809 -9.114 1.00 18.17 O ATOM 295 OE2 GLU A 18 12.353 -4.625 -9.487 1.00 14.33 O ATOM 0 H GLU A 18 8.420 -2.251 -7.710 1.00 7.29 H new ATOM 0 HA GLU A 18 11.206 -2.985 -6.947 1.00 7.08 H new ATOM 0 HB2 GLU A 18 9.949 -0.933 -8.848 1.00 10.28 H new ATOM 0 HB3 GLU A 18 11.657 -0.901 -8.455 1.00 10.28 H new ATOM 0 HG2 GLU A 18 10.242 -3.371 -9.632 1.00 12.65 H new ATOM 0 HG3 GLU A 18 11.085 -2.188 -10.613 1.00 12.65 H new ATOM 302 N PRO A 19 11.639 -0.777 -5.443 1.00 7.24 N ATOM 303 CA PRO A 19 11.676 0.459 -4.607 1.00 7.07 C ATOM 304 C PRO A 19 11.244 1.820 -5.240 1.00 6.65 C ATOM 305 O PRO A 19 10.810 2.685 -4.505 1.00 6.37 O ATOM 306 CB PRO A 19 13.189 0.494 -4.225 1.00 7.61 C ATOM 307 CG PRO A 19 13.709 -0.919 -4.468 1.00 8.16 C ATOM 308 CD PRO A 19 12.883 -1.431 -5.606 1.00 7.49 C ATOM 0 HA PRO A 19 10.937 0.386 -3.809 1.00 7.07 H new ATOM 0 HB2 PRO A 19 13.729 1.220 -4.833 1.00 7.61 H new ATOM 0 HB3 PRO A 19 13.323 0.787 -3.184 1.00 7.61 H new ATOM 0 HG2 PRO A 19 14.770 -0.914 -4.718 1.00 8.16 H new ATOM 0 HG3 PRO A 19 13.593 -1.543 -3.581 1.00 8.16 H new ATOM 0 HD2 PRO A 19 13.337 -1.193 -6.568 1.00 7.49 H new ATOM 0 HD3 PRO A 19 12.773 -2.515 -5.565 1.00 7.49 H new ATOM 316 N SER A 20 11.363 1.981 -6.555 1.00 6.80 N ATOM 317 CA SER A 20 10.968 3.083 -7.390 1.00 6.28 C ATOM 318 C SER A 20 9.487 3.162 -7.627 1.00 8.45 C ATOM 319 O SER A 20 8.935 4.166 -8.001 1.00 7.26 O ATOM 320 CB SER A 20 11.719 3.092 -8.734 1.00 8.57 C ATOM 321 OG SER A 20 11.432 1.867 -9.425 1.00 11.13 O ATOM 0 H SER A 20 11.792 1.245 -7.116 1.00 6.80 H new ATOM 0 HA SER A 20 11.249 3.972 -6.825 1.00 6.28 H new ATOM 0 HB2 SER A 20 11.410 3.947 -9.335 1.00 8.57 H new ATOM 0 HB3 SER A 20 12.792 3.191 -8.568 1.00 8.57 H new ATOM 0 HG SER A 20 11.902 1.858 -10.285 1.00 11.13 H new ATOM 327 N ASP A 21 8.805 2.066 -7.463 1.00 7.50 N ATOM 328 CA ASP A 21 7.356 2.024 -7.523 1.00 7.70 C ATOM 329 C ASP A 21 6.707 2.989 -6.528 1.00 7.08 C ATOM 330 O ASP A 21 7.173 3.065 -5.347 1.00 8.11 O ATOM 331 CB ASP A 21 6.795 0.604 -7.291 1.00 11.00 C ATOM 332 CG ASP A 21 6.923 -0.289 -8.528 1.00 15.32 C ATOM 333 OD1 ASP A 21 7.241 0.227 -9.670 1.00 14.36 O ATOM 334 OD2 ASP A 21 6.733 -1.538 -8.398 1.00 18.03 O ATOM 0 H ASP A 21 9.236 1.160 -7.281 1.00 7.50 H new ATOM 0 HA ASP A 21 7.102 2.337 -8.536 1.00 7.70 H new ATOM 0 HB2 ASP A 21 7.322 0.141 -6.457 1.00 11.00 H new ATOM 0 HB3 ASP A 21 5.745 0.674 -7.005 1.00 11.00 H new ATOM 339 N THR A 22 5.772 3.873 -7.009 1.00 5.37 N ATOM 340 CA THR A 22 5.180 4.882 -6.235 1.00 6.01 C ATOM 341 C THR A 22 4.127 4.198 -5.434 1.00 8.01 C ATOM 342 O THR A 22 3.883 3.023 -5.700 1.00 8.11 O ATOM 343 CB THR A 22 4.526 5.996 -7.039 1.00 8.92 C ATOM 344 OG1 THR A 22 3.748 5.529 -8.107 1.00 10.22 O ATOM 345 CG2 THR A 22 5.577 6.926 -7.682 1.00 9.65 C ATOM 0 H THR A 22 5.440 3.856 -7.973 1.00 5.37 H new ATOM 0 HA THR A 22 5.957 5.368 -5.645 1.00 6.01 H new ATOM 0 HB THR A 22 3.903 6.515 -6.310 1.00 8.92 H new ATOM 0 HG1 THR A 22 3.355 6.290 -8.582 1.00 10.22 H new ATOM 0 HG21 THR A 22 5.072 7.709 -8.248 1.00 9.65 H new ATOM 0 HG22 THR A 22 6.188 7.379 -6.901 1.00 9.65 H new ATOM 0 HG23 THR A 22 6.214 6.348 -8.351 1.00 9.65 H new ATOM 353 N ILE A 23 3.536 4.822 -4.416 1.00 8.32 N ATOM 354 CA ILE A 23 2.475 4.208 -3.643 1.00 9.92 C ATOM 355 C ILE A 23 1.214 3.818 -4.411 1.00 10.01 C ATOM 356 O ILE A 23 0.409 2.913 -4.143 1.00 8.71 O ATOM 357 CB ILE A 23 2.220 5.159 -2.527 1.00 10.78 C ATOM 358 CG1 ILE A 23 3.470 5.512 -1.667 1.00 11.38 C ATOM 359 CG2 ILE A 23 1.186 4.544 -1.557 1.00 10.90 C ATOM 360 CD1 ILE A 23 4.215 4.321 -1.089 1.00 12.30 C ATOM 0 H ILE A 23 3.783 5.763 -4.110 1.00 8.32 H new ATOM 0 HA ILE A 23 2.797 3.227 -3.295 1.00 9.92 H new ATOM 0 HB ILE A 23 1.876 6.073 -3.012 1.00 10.78 H new ATOM 0 HG12 ILE A 23 4.161 6.090 -2.280 1.00 11.38 H new ATOM 0 HG13 ILE A 23 3.156 6.157 -0.846 1.00 11.38 H new ATOM 0 HG21 ILE A 23 0.997 5.238 -0.738 1.00 10.90 H new ATOM 0 HG22 ILE A 23 0.256 4.351 -2.091 1.00 10.90 H new ATOM 0 HG23 ILE A 23 1.575 3.608 -1.156 1.00 10.90 H new ATOM 0 HD11 ILE A 23 5.067 4.672 -0.508 1.00 12.30 H new ATOM 0 HD12 ILE A 23 3.546 3.751 -0.444 1.00 12.30 H new ATOM 0 HD13 ILE A 23 4.567 3.683 -1.900 1.00 12.30 H new ATOM 372 N GLU A 24 0.904 4.580 -5.541 1.00 9.54 N ATOM 373 CA GLU A 24 -0.163 4.335 -6.469 1.00 11.81 C ATOM 374 C GLU A 24 0.090 2.938 -7.067 1.00 11.14 C ATOM 375 O GLU A 24 -0.804 2.155 -7.156 1.00 10.62 O ATOM 376 CB GLU A 24 -0.128 5.356 -7.589 1.00 19.24 C ATOM 377 CG GLU A 24 -1.424 5.419 -8.448 1.00 27.76 C ATOM 378 CD GLU A 24 -1.507 6.438 -9.592 1.00 32.92 C ATOM 379 OE1 GLU A 24 -0.427 7.055 -9.771 1.00 34.80 O ATOM 380 OE2 GLU A 24 -2.476 6.608 -10.318 1.00 36.51 O ATOM 0 H GLU A 24 1.448 5.406 -5.791 1.00 9.54 H new ATOM 0 HA GLU A 24 -1.130 4.400 -5.970 1.00 11.81 H new ATOM 0 HB2 GLU A 24 0.056 6.341 -7.160 1.00 19.24 H new ATOM 0 HB3 GLU A 24 0.715 5.131 -8.242 1.00 19.24 H new ATOM 0 HG2 GLU A 24 -1.584 4.429 -8.876 1.00 27.76 H new ATOM 0 HG3 GLU A 24 -2.258 5.613 -7.773 1.00 27.76 H new ATOM 387 N ASN A 25 1.340 2.586 -7.413 1.00 9.43 N ATOM 388 CA ASN A 25 1.719 1.301 -8.017 1.00 10.96 C ATOM 389 C ASN A 25 1.464 0.147 -7.097 1.00 9.68 C ATOM 390 O ASN A 25 1.000 -0.901 -7.518 1.00 9.33 O ATOM 391 CB ASN A 25 3.213 1.151 -8.382 1.00 16.78 C ATOM 392 CG ASN A 25 3.578 1.988 -9.589 1.00 22.31 C ATOM 393 OD1 ASN A 25 4.471 2.791 -9.493 1.00 25.66 O ATOM 394 ND2 ASN A 25 2.965 1.834 -10.789 1.00 24.70 N ATOM 0 H ASN A 25 2.137 3.208 -7.275 1.00 9.43 H new ATOM 0 HA ASN A 25 1.104 1.293 -8.917 1.00 10.96 H new ATOM 0 HB2 ASN A 25 3.827 1.449 -7.532 1.00 16.78 H new ATOM 0 HB3 ASN A 25 3.435 0.103 -8.584 1.00 16.78 H new ATOM 0 HD21 ASN A 25 3.262 2.393 -11.589 1.00 24.70 H new ATOM 0 HD22 ASN A 25 2.207 1.159 -10.892 1.00 24.70 H new ATOM 401 N VAL A 26 1.763 0.306 -5.812 1.00 6.52 N ATOM 402 CA VAL A 26 1.348 -0.630 -4.768 1.00 5.53 C ATOM 403 C VAL A 26 -0.172 -0.934 -4.746 1.00 4.42 C ATOM 404 O VAL A 26 -0.594 -2.104 -4.680 1.00 3.40 O ATOM 405 CB VAL A 26 1.736 -0.164 -3.403 1.00 3.86 C ATOM 406 CG1 VAL A 26 1.308 -1.148 -2.254 1.00 7.25 C ATOM 407 CG2 VAL A 26 3.242 0.131 -3.268 1.00 8.12 C ATOM 0 H VAL A 26 2.305 1.095 -5.461 1.00 6.52 H new ATOM 0 HA VAL A 26 1.878 -1.547 -5.028 1.00 5.53 H new ATOM 0 HB VAL A 26 1.181 0.766 -3.284 1.00 3.86 H new ATOM 0 HG11 VAL A 26 1.623 -0.743 -1.292 1.00 7.25 H new ATOM 0 HG12 VAL A 26 0.224 -1.266 -2.261 1.00 7.25 H new ATOM 0 HG13 VAL A 26 1.779 -2.118 -2.411 1.00 7.25 H new ATOM 0 HG21 VAL A 26 3.458 0.465 -2.253 1.00 8.12 H new ATOM 0 HG22 VAL A 26 3.811 -0.774 -3.481 1.00 8.12 H new ATOM 0 HG23 VAL A 26 3.525 0.911 -3.975 1.00 8.12 H new ATOM 417 N LYS A 27 -0.977 0.153 -4.838 1.00 2.64 N ATOM 418 CA LYS A 27 -2.469 0.018 -4.871 1.00 4.14 C ATOM 419 C LYS A 27 -3.080 -0.665 -6.058 1.00 5.58 C ATOM 420 O LYS A 27 -4.121 -1.288 -6.004 1.00 4.11 O ATOM 421 CB LYS A 27 -3.258 1.347 -4.621 1.00 3.97 C ATOM 422 CG LYS A 27 -2.907 2.022 -3.266 1.00 7.45 C ATOM 423 CD LYS A 27 -3.679 3.329 -2.992 1.00 9.02 C ATOM 424 CE LYS A 27 -3.134 4.564 -3.718 1.00 12.90 C ATOM 425 NZ LYS A 27 -3.977 5.748 -3.295 1.00 15.47 N ATOM 0 H LYS A 27 -0.637 1.113 -4.890 1.00 2.64 H new ATOM 0 HA LYS A 27 -2.586 -0.655 -4.022 1.00 4.14 H new ATOM 0 HB2 LYS A 27 -3.048 2.044 -5.432 1.00 3.97 H new ATOM 0 HB3 LYS A 27 -4.327 1.138 -4.649 1.00 3.97 H new ATOM 0 HG2 LYS A 27 -3.109 1.318 -2.459 1.00 7.45 H new ATOM 0 HG3 LYS A 27 -1.838 2.233 -3.244 1.00 7.45 H new ATOM 0 HD2 LYS A 27 -4.720 3.186 -3.280 1.00 9.02 H new ATOM 0 HD3 LYS A 27 -3.669 3.522 -1.919 1.00 9.02 H new ATOM 0 HE2 LYS A 27 -2.087 4.728 -3.463 1.00 12.90 H new ATOM 0 HE3 LYS A 27 -3.181 4.426 -4.798 1.00 12.90 H new ATOM 0 HZ1 LYS A 27 -3.700 6.586 -3.846 1.00 15.47 H new ATOM 0 HZ2 LYS A 27 -4.981 5.538 -3.465 1.00 15.47 H new ATOM 0 HZ3 LYS A 27 -3.829 5.935 -2.283 1.00 15.47 H new ATOM 439 N ALA A 28 -2.421 -0.467 -7.265 1.00 6.61 N ATOM 440 CA ALA A 28 -2.655 -1.117 -8.485 1.00 7.74 C ATOM 441 C ALA A 28 -2.418 -2.621 -8.291 1.00 9.17 C ATOM 442 O ALA A 28 -3.243 -3.489 -8.701 1.00 11.45 O ATOM 443 CB ALA A 28 -1.809 -0.585 -9.632 1.00 7.68 C ATOM 0 H ALA A 28 -1.668 0.217 -7.343 1.00 6.61 H new ATOM 0 HA ALA A 28 -3.688 -0.921 -8.771 1.00 7.74 H new ATOM 0 HB1 ALA A 28 -2.044 -1.135 -10.543 1.00 7.68 H new ATOM 0 HB2 ALA A 28 -2.023 0.473 -9.782 1.00 7.68 H new ATOM 0 HB3 ALA A 28 -0.753 -0.711 -9.394 1.00 7.68 H new ATOM 449 N LYS A 29 -1.377 -3.019 -7.616 1.00 8.96 N ATOM 450 CA LYS A 29 -1.100 -4.430 -7.283 1.00 7.90 C ATOM 451 C LYS A 29 -1.979 -5.047 -6.191 1.00 6.92 C ATOM 452 O LYS A 29 -2.235 -6.233 -6.196 1.00 6.87 O ATOM 453 CB LYS A 29 0.401 -4.467 -6.965 1.00 10.28 C ATOM 454 CG LYS A 29 1.306 -4.116 -8.183 1.00 14.94 C ATOM 455 CD LYS A 29 2.690 -3.853 -7.555 1.00 19.69 C ATOM 456 CE LYS A 29 3.849 -3.473 -8.484 1.00 22.63 C ATOM 457 NZ LYS A 29 4.043 -4.464 -9.555 1.00 24.98 N ATOM 0 H LYS A 29 -0.669 -2.375 -7.264 1.00 8.96 H new ATOM 0 HA LYS A 29 -1.362 -5.071 -8.125 1.00 7.90 H new ATOM 0 HB2 LYS A 29 0.609 -3.768 -6.155 1.00 10.28 H new ATOM 0 HB3 LYS A 29 0.663 -5.461 -6.603 1.00 10.28 H new ATOM 0 HG2 LYS A 29 1.343 -4.934 -8.902 1.00 14.94 H new ATOM 0 HG3 LYS A 29 0.936 -3.240 -8.716 1.00 14.94 H new ATOM 0 HD2 LYS A 29 2.576 -3.055 -6.822 1.00 19.69 H new ATOM 0 HD3 LYS A 29 2.983 -4.749 -7.008 1.00 19.69 H new ATOM 0 HE2 LYS A 29 3.655 -2.495 -8.925 1.00 22.63 H new ATOM 0 HE3 LYS A 29 4.766 -3.384 -7.902 1.00 22.63 H new ATOM 0 HZ1 LYS A 29 4.767 -4.121 -10.219 1.00 24.98 H new ATOM 0 HZ2 LYS A 29 4.353 -5.366 -9.141 1.00 24.98 H new ATOM 0 HZ3 LYS A 29 3.147 -4.606 -10.063 1.00 24.98 H new ATOM 471 N ILE A 30 -2.516 -4.186 -5.295 1.00 4.57 N ATOM 472 CA ILE A 30 -3.636 -4.557 -4.364 1.00 5.58 C ATOM 473 C ILE A 30 -4.934 -4.792 -5.113 1.00 7.26 C ATOM 474 O ILE A 30 -5.672 -5.754 -4.865 1.00 9.46 O ATOM 475 CB ILE A 30 -3.756 -3.540 -3.228 1.00 5.36 C ATOM 476 CG1 ILE A 30 -2.437 -3.491 -2.439 1.00 2.94 C ATOM 477 CG2 ILE A 30 -5.001 -3.804 -2.302 1.00 2.78 C ATOM 478 CD1 ILE A 30 -2.370 -2.398 -1.331 1.00 2.00 C ATOM 0 H ILE A 30 -2.198 -3.223 -5.188 1.00 4.57 H new ATOM 0 HA ILE A 30 -3.398 -5.512 -3.896 1.00 5.58 H new ATOM 0 HB ILE A 30 -3.934 -2.559 -3.668 1.00 5.36 H new ATOM 0 HG12 ILE A 30 -2.271 -4.465 -1.978 1.00 2.94 H new ATOM 0 HG13 ILE A 30 -1.618 -3.327 -3.140 1.00 2.94 H new ATOM 0 HG21 ILE A 30 -5.035 -3.051 -1.514 1.00 2.78 H new ATOM 0 HG22 ILE A 30 -5.914 -3.749 -2.895 1.00 2.78 H new ATOM 0 HG23 ILE A 30 -4.918 -4.794 -1.854 1.00 2.78 H new ATOM 0 HD11 ILE A 30 -1.402 -2.444 -0.832 1.00 2.00 H new ATOM 0 HD12 ILE A 30 -2.499 -1.414 -1.782 1.00 2.00 H new ATOM 0 HD13 ILE A 30 -3.162 -2.570 -0.602 1.00 2.00 H new ATOM 490 N GLN A 31 -5.202 -3.928 -6.114 1.00 7.06 N ATOM 491 CA GLN A 31 -6.315 -4.113 -7.018 1.00 8.67 C ATOM 492 C GLN A 31 -6.297 -5.483 -7.712 1.00 10.90 C ATOM 493 O GLN A 31 -7.285 -6.168 -7.834 1.00 9.63 O ATOM 494 CB GLN A 31 -6.449 -3.030 -8.080 1.00 9.12 C ATOM 495 CG GLN A 31 -7.749 -3.209 -8.884 1.00 10.76 C ATOM 496 CD GLN A 31 -8.117 -2.015 -9.714 1.00 13.78 C ATOM 497 OE1 GLN A 31 -9.308 -1.684 -9.795 1.00 14.48 O ATOM 498 NE2 GLN A 31 -7.146 -1.434 -10.475 1.00 14.76 N ATOM 0 H GLN A 31 -4.647 -3.093 -6.303 1.00 7.06 H new ATOM 0 HA GLN A 31 -7.183 -4.047 -6.362 1.00 8.67 H new ATOM 0 HB2 GLN A 31 -6.441 -2.048 -7.607 1.00 9.12 H new ATOM 0 HB3 GLN A 31 -5.592 -3.067 -8.753 1.00 9.12 H new ATOM 0 HG2 GLN A 31 -7.645 -4.076 -9.537 1.00 10.76 H new ATOM 0 HG3 GLN A 31 -8.565 -3.426 -8.194 1.00 10.76 H new ATOM 0 HE21 GLN A 31 -6.176 -1.734 -10.380 1.00 14.76 H new ATOM 0 HE22 GLN A 31 -7.390 -0.700 -11.139 1.00 14.76 H new ATOM 507 N ASP A 32 -5.100 -5.848 -8.183 1.00 10.93 N ATOM 508 CA ASP A 32 -4.921 -7.105 -8.864 1.00 14.01 C ATOM 509 C ASP A 32 -5.202 -8.267 -7.877 1.00 14.04 C ATOM 510 O ASP A 32 -5.926 -9.219 -8.163 1.00 13.39 O ATOM 511 CB ASP A 32 -3.483 -7.126 -9.399 1.00 18.01 C ATOM 512 CG ASP A 32 -3.102 -8.417 -10.165 1.00 24.33 C ATOM 513 OD1 ASP A 32 -3.840 -8.691 -11.141 1.00 26.29 O ATOM 514 OD2 ASP A 32 -2.085 -9.138 -9.724 1.00 25.17 O ATOM 0 H ASP A 32 -4.254 -5.285 -8.099 1.00 10.93 H new ATOM 0 HA ASP A 32 -5.613 -7.225 -9.697 1.00 14.01 H new ATOM 0 HB2 ASP A 32 -3.342 -6.271 -10.060 1.00 18.01 H new ATOM 0 HB3 ASP A 32 -2.796 -6.998 -8.563 1.00 18.01 H new ATOM 519 N LYS A 33 -4.526 -8.241 -6.666 1.00 14.22 N ATOM 520 CA LYS A 33 -4.659 -9.258 -5.634 1.00 14.00 C ATOM 521 C LYS A 33 -6.085 -9.363 -5.074 1.00 12.37 C ATOM 522 O LYS A 33 -6.634 -10.442 -5.064 1.00 12.17 O ATOM 523 CB LYS A 33 -3.708 -8.979 -4.441 1.00 18.62 C ATOM 524 CG LYS A 33 -2.231 -9.323 -4.695 1.00 24.00 C ATOM 525 CD LYS A 33 -1.872 -10.807 -4.933 1.00 27.61 C ATOM 526 CE LYS A 33 -0.399 -10.965 -5.380 1.00 27.64 C ATOM 527 NZ LYS A 33 -0.010 -12.401 -5.246 1.00 30.06 N ATOM 0 H LYS A 33 -3.879 -7.494 -6.413 1.00 14.22 H new ATOM 0 HA LYS A 33 -4.400 -10.196 -6.125 1.00 14.00 H new ATOM 0 HB2 LYS A 33 -3.780 -7.924 -4.177 1.00 18.62 H new ATOM 0 HB3 LYS A 33 -4.055 -9.548 -3.578 1.00 18.62 H new ATOM 0 HG2 LYS A 33 -1.898 -8.754 -5.563 1.00 24.00 H new ATOM 0 HG3 LYS A 33 -1.652 -8.970 -3.841 1.00 24.00 H new ATOM 0 HD2 LYS A 33 -2.039 -11.375 -4.018 1.00 27.61 H new ATOM 0 HD3 LYS A 33 -2.532 -11.225 -5.693 1.00 27.61 H new ATOM 0 HE2 LYS A 33 -0.280 -10.636 -6.412 1.00 27.64 H new ATOM 0 HE3 LYS A 33 0.251 -10.339 -4.769 1.00 27.64 H new ATOM 0 HZ1 LYS A 33 0.979 -12.522 -5.543 1.00 30.06 H new ATOM 0 HZ2 LYS A 33 -0.112 -12.697 -4.254 1.00 30.06 H new ATOM 0 HZ3 LYS A 33 -0.626 -12.985 -5.847 1.00 30.06 H new ATOM 541 N GLU A 34 -6.695 -8.303 -4.578 1.00 10.11 N ATOM 542 CA GLU A 34 -7.979 -8.464 -3.848 1.00 10.07 C ATOM 543 C GLU A 34 -9.234 -8.012 -4.578 1.00 9.32 C ATOM 544 O GLU A 34 -10.340 -8.201 -4.135 1.00 11.61 O ATOM 545 CB GLU A 34 -7.932 -7.800 -2.443 1.00 14.77 C ATOM 546 CG GLU A 34 -6.953 -8.356 -1.427 1.00 18.75 C ATOM 547 CD GLU A 34 -7.198 -9.781 -0.956 1.00 22.28 C ATOM 548 OE1 GLU A 34 -8.072 -10.014 -0.073 1.00 25.19 O ATOM 549 OE2 GLU A 34 -6.560 -10.699 -1.470 1.00 21.95 O ATOM 0 H GLU A 34 -6.353 -7.345 -4.652 1.00 10.11 H new ATOM 0 HA GLU A 34 -8.069 -9.547 -3.760 1.00 10.07 H new ATOM 0 HB2 GLU A 34 -7.707 -6.742 -2.580 1.00 14.77 H new ATOM 0 HB3 GLU A 34 -8.931 -7.859 -2.012 1.00 14.77 H new ATOM 0 HG2 GLU A 34 -5.952 -8.306 -1.855 1.00 18.75 H new ATOM 0 HG3 GLU A 34 -6.959 -7.703 -0.554 1.00 18.75 H new ATOM 556 N GLY A 35 -9.080 -7.358 -5.744 1.00 7.22 N ATOM 557 CA GLY A 35 -10.126 -6.749 -6.499 1.00 6.29 C ATOM 558 C GLY A 35 -10.475 -5.352 -6.066 1.00 6.93 C ATOM 559 O GLY A 35 -11.461 -4.816 -6.549 1.00 7.41 O ATOM 0 H GLY A 35 -8.166 -7.250 -6.184 1.00 7.22 H new ATOM 0 HA2 GLY A 35 -9.834 -6.728 -7.549 1.00 6.29 H new ATOM 0 HA3 GLY A 35 -11.018 -7.371 -6.428 1.00 6.29 H new ATOM 563 N ILE A 36 -9.835 -4.708 -5.143 1.00 5.86 N ATOM 564 CA ILE A 36 -10.253 -3.436 -4.535 1.00 6.07 C ATOM 565 C ILE A 36 -9.710 -2.208 -5.291 1.00 6.36 C ATOM 566 O ILE A 36 -8.513 -2.143 -5.403 1.00 6.18 O ATOM 567 CB ILE A 36 -9.740 -3.260 -3.049 1.00 7.47 C ATOM 568 CG1 ILE A 36 -10.199 -4.511 -2.217 1.00 8.52 C ATOM 569 CG2 ILE A 36 -10.218 -1.940 -2.415 1.00 7.36 C ATOM 570 CD1 ILE A 36 -9.429 -4.771 -0.872 1.00 9.49 C ATOM 0 H ILE A 36 -8.957 -5.054 -4.756 1.00 5.86 H new ATOM 0 HA ILE A 36 -11.341 -3.485 -4.575 1.00 6.07 H new ATOM 0 HB ILE A 36 -8.652 -3.200 -3.051 1.00 7.47 H new ATOM 0 HG12 ILE A 36 -11.259 -4.400 -1.989 1.00 8.52 H new ATOM 0 HG13 ILE A 36 -10.099 -5.396 -2.846 1.00 8.52 H new ATOM 0 HG21 ILE A 36 -9.839 -1.868 -1.396 1.00 7.36 H new ATOM 0 HG22 ILE A 36 -9.846 -1.099 -3.001 1.00 7.36 H new ATOM 0 HG23 ILE A 36 -11.308 -1.918 -2.399 1.00 7.36 H new ATOM 0 HD11 ILE A 36 -9.833 -5.660 -0.387 1.00 9.49 H new ATOM 0 HD12 ILE A 36 -8.370 -4.922 -1.082 1.00 9.49 H new ATOM 0 HD13 ILE A 36 -9.549 -3.912 -0.212 1.00 9.49 H new ATOM 582 N PRO A 37 -10.447 -1.235 -5.860 1.00 8.65 N ATOM 583 CA PRO A 37 -9.939 -0.096 -6.556 1.00 9.18 C ATOM 584 C PRO A 37 -9.000 0.813 -5.754 1.00 9.85 C ATOM 585 O PRO A 37 -9.289 0.974 -4.577 1.00 8.51 O ATOM 586 CB PRO A 37 -11.175 0.745 -6.916 1.00 11.42 C ATOM 587 CG PRO A 37 -12.333 -0.274 -7.021 1.00 9.27 C ATOM 588 CD PRO A 37 -11.942 -1.320 -5.905 1.00 8.33 C ATOM 0 HA PRO A 37 -9.348 -0.466 -7.394 1.00 9.18 H new ATOM 0 HB2 PRO A 37 -11.378 1.496 -6.153 1.00 11.42 H new ATOM 0 HB3 PRO A 37 -11.031 1.277 -7.856 1.00 11.42 H new ATOM 0 HG2 PRO A 37 -13.302 0.187 -6.829 1.00 9.27 H new ATOM 0 HG3 PRO A 37 -12.388 -0.731 -8.009 1.00 9.27 H new ATOM 0 HD2 PRO A 37 -12.388 -1.067 -4.943 1.00 8.33 H new ATOM 0 HD3 PRO A 37 -12.280 -2.325 -6.159 1.00 8.33 H new ATOM 596 N PRO A 38 -7.924 1.386 -6.320 1.00 8.71 N ATOM 597 CA PRO A 38 -7.126 2.358 -5.566 1.00 9.08 C ATOM 598 C PRO A 38 -7.851 3.505 -4.832 1.00 9.28 C ATOM 599 O PRO A 38 -7.421 4.010 -3.799 1.00 6.50 O ATOM 600 CB PRO A 38 -6.093 2.834 -6.608 1.00 10.31 C ATOM 601 CG PRO A 38 -5.951 1.614 -7.520 1.00 10.81 C ATOM 602 CD PRO A 38 -7.406 1.161 -7.647 1.00 12.00 C ATOM 0 HA PRO A 38 -6.701 1.878 -4.685 1.00 9.08 H new ATOM 0 HB2 PRO A 38 -6.443 3.710 -7.154 1.00 10.31 H new ATOM 0 HB3 PRO A 38 -5.145 3.106 -6.144 1.00 10.31 H new ATOM 0 HG2 PRO A 38 -5.515 1.871 -8.485 1.00 10.81 H new ATOM 0 HG3 PRO A 38 -5.318 0.844 -7.080 1.00 10.81 H new ATOM 0 HD2 PRO A 38 -7.946 1.739 -8.396 1.00 12.00 H new ATOM 0 HD3 PRO A 38 -7.480 0.113 -7.939 1.00 12.00 H new ATOM 610 N ASP A 39 -9.066 3.936 -5.339 1.00 11.20 N ATOM 611 CA ASP A 39 -9.847 4.997 -4.704 1.00 14.96 C ATOM 612 C ASP A 39 -10.351 4.561 -3.334 1.00 13.99 C ATOM 613 O ASP A 39 -10.578 5.372 -2.468 1.00 13.75 O ATOM 614 CB ASP A 39 -11.075 5.316 -5.600 1.00 24.16 C ATOM 615 CG ASP A 39 -10.629 6.096 -6.839 1.00 31.06 C ATOM 616 OD1 ASP A 39 -10.207 7.282 -6.709 1.00 34.22 O ATOM 617 OD2 ASP A 39 -10.775 5.563 -8.005 1.00 35.55 O ATOM 0 H ASP A 39 -9.496 3.549 -6.179 1.00 11.20 H new ATOM 0 HA ASP A 39 -9.209 5.873 -4.583 1.00 14.96 H new ATOM 0 HB2 ASP A 39 -11.567 4.391 -5.900 1.00 24.16 H new ATOM 0 HB3 ASP A 39 -11.805 5.897 -5.037 1.00 24.16 H new ATOM 622 N GLN A 40 -10.486 3.274 -3.078 1.00 11.60 N ATOM 623 CA GLN A 40 -11.120 2.724 -1.913 1.00 10.76 C ATOM 624 C GLN A 40 -10.165 2.393 -0.797 1.00 8.01 C ATOM 625 O GLN A 40 -10.653 1.946 0.248 1.00 8.96 O ATOM 626 CB GLN A 40 -11.834 1.499 -2.346 1.00 11.14 C ATOM 627 CG GLN A 40 -13.005 1.696 -3.306 1.00 14.85 C ATOM 628 CD GLN A 40 -13.846 0.432 -3.538 1.00 16.11 C ATOM 629 OE1 GLN A 40 -13.673 -0.564 -2.831 1.00 20.52 O ATOM 630 NE2 GLN A 40 -14.818 0.477 -4.468 1.00 18.16 N ATOM 0 H GLN A 40 -10.137 2.556 -3.712 1.00 11.60 H new ATOM 0 HA GLN A 40 -11.794 3.476 -1.502 1.00 10.76 H new ATOM 0 HB2 GLN A 40 -11.113 0.833 -2.820 1.00 11.14 H new ATOM 0 HB3 GLN A 40 -12.204 0.988 -1.457 1.00 11.14 H new ATOM 0 HG2 GLN A 40 -13.651 2.483 -2.917 1.00 14.85 H new ATOM 0 HG3 GLN A 40 -12.620 2.044 -4.265 1.00 14.85 H new ATOM 0 HE21 GLN A 40 -14.939 1.313 -5.039 1.00 18.16 H new ATOM 0 HE22 GLN A 40 -15.434 -0.325 -4.602 1.00 18.16 H new ATOM 639 N GLN A 41 -8.851 2.639 -1.093 1.00 6.52 N ATOM 640 CA GLN A 41 -7.720 2.155 -0.422 1.00 3.87 C ATOM 641 C GLN A 41 -6.976 3.323 0.147 1.00 4.79 C ATOM 642 O GLN A 41 -6.866 4.379 -0.498 1.00 6.34 O ATOM 643 CB GLN A 41 -6.686 1.460 -1.310 1.00 4.20 C ATOM 644 CG GLN A 41 -7.306 0.189 -2.021 1.00 3.20 C ATOM 645 CD GLN A 41 -6.149 -0.478 -2.790 1.00 4.89 C ATOM 646 OE1 GLN A 41 -4.974 -0.396 -2.395 1.00 5.21 O ATOM 647 NE2 GLN A 41 -6.465 -1.164 -3.898 1.00 7.13 N ATOM 0 H GLN A 41 -8.594 3.235 -1.880 1.00 6.52 H new ATOM 0 HA GLN A 41 -8.110 1.439 0.302 1.00 3.87 H new ATOM 0 HB2 GLN A 41 -6.320 2.159 -2.062 1.00 4.20 H new ATOM 0 HB3 GLN A 41 -5.828 1.161 -0.708 1.00 4.20 H new ATOM 0 HG2 GLN A 41 -7.734 -0.497 -1.290 1.00 3.20 H new ATOM 0 HG3 GLN A 41 -8.110 0.475 -2.699 1.00 3.20 H new ATOM 0 HE21 GLN A 41 -7.436 -1.218 -4.204 1.00 7.13 H new ATOM 0 HE22 GLN A 41 -5.734 -1.631 -4.434 1.00 7.13 H new ATOM 656 N ARG A 42 -6.458 3.236 1.392 1.00 5.73 N ATOM 657 CA ARG A 42 -5.519 4.155 1.981 1.00 6.97 C ATOM 658 C ARG A 42 -4.418 3.336 2.602 1.00 7.15 C ATOM 659 O ARG A 42 -4.664 2.330 3.271 1.00 7.33 O ATOM 660 CB ARG A 42 -6.170 5.032 3.034 1.00 13.23 C ATOM 661 CG ARG A 42 -5.210 5.911 3.862 1.00 21.27 C ATOM 662 CD ARG A 42 -5.868 7.090 4.607 1.00 26.14 C ATOM 663 NE ARG A 42 -6.302 8.173 3.607 1.00 32.26 N ATOM 664 CZ ARG A 42 -7.593 8.486 3.431 1.00 34.32 C ATOM 665 NH1 ARG A 42 -8.611 7.840 3.985 1.00 35.30 N ATOM 666 NH2 ARG A 42 -7.877 9.309 2.443 1.00 36.39 N ATOM 0 H ARG A 42 -6.710 2.478 2.026 1.00 5.73 H new ATOM 0 HA ARG A 42 -5.132 4.822 1.211 1.00 6.97 H new ATOM 0 HB2 ARG A 42 -6.894 5.681 2.542 1.00 13.23 H new ATOM 0 HB3 ARG A 42 -6.728 4.393 3.718 1.00 13.23 H new ATOM 0 HG2 ARG A 42 -4.704 5.279 4.592 1.00 21.27 H new ATOM 0 HG3 ARG A 42 -4.442 6.307 3.197 1.00 21.27 H new ATOM 0 HD2 ARG A 42 -6.732 6.737 5.170 1.00 26.14 H new ATOM 0 HD3 ARG A 42 -5.167 7.510 5.328 1.00 26.14 H new ATOM 0 HE ARG A 42 -5.591 8.665 3.065 1.00 32.26 H new ATOM 0 HH11 ARG A 42 -8.437 7.042 4.595 1.00 35.30 H new ATOM 0 HH12 ARG A 42 -9.568 8.142 3.800 1.00 35.30 H new ATOM 0 HH21 ARG A 42 -7.129 9.676 1.854 1.00 36.39 H new ATOM 0 HH22 ARG A 42 -8.845 9.579 2.266 1.00 36.39 H new ATOM 680 N LEU A 43 -3.174 3.732 2.410 1.00 4.65 N ATOM 681 CA LEU A 43 -2.056 2.972 2.821 1.00 3.51 C ATOM 682 C LEU A 43 -1.363 3.696 3.969 1.00 5.56 C ATOM 683 O LEU A 43 -1.120 4.856 3.983 1.00 4.19 O ATOM 684 CB LEU A 43 -1.124 2.662 1.593 1.00 3.74 C ATOM 685 CG LEU A 43 -1.651 1.509 0.738 1.00 6.32 C ATOM 686 CD1 LEU A 43 -0.753 1.528 -0.516 1.00 9.55 C ATOM 687 CD2 LEU A 43 -1.697 0.117 1.431 1.00 6.41 C ATOM 0 H LEU A 43 -2.930 4.611 1.953 1.00 4.65 H new ATOM 0 HA LEU A 43 -2.362 1.997 3.201 1.00 3.51 H new ATOM 0 HB2 LEU A 43 -1.031 3.556 0.976 1.00 3.74 H new ATOM 0 HB3 LEU A 43 -0.124 2.417 1.952 1.00 3.74 H new ATOM 0 HG LEU A 43 -2.707 1.660 0.513 1.00 6.32 H new ATOM 0 HD11 LEU A 43 -1.057 0.730 -1.194 1.00 9.55 H new ATOM 0 HD12 LEU A 43 -0.852 2.489 -1.020 1.00 9.55 H new ATOM 0 HD13 LEU A 43 0.286 1.378 -0.222 1.00 9.55 H new ATOM 0 HD21 LEU A 43 -2.087 -0.624 0.733 1.00 6.41 H new ATOM 0 HD22 LEU A 43 -0.692 -0.169 1.740 1.00 6.41 H new ATOM 0 HD23 LEU A 43 -2.345 0.167 2.306 1.00 6.41 H new ATOM 699 N ILE A 44 -0.874 2.814 4.887 1.00 4.58 N ATOM 700 CA ILE A 44 -0.209 3.165 6.118 1.00 5.55 C ATOM 701 C ILE A 44 1.057 2.273 6.325 1.00 5.46 C ATOM 702 O ILE A 44 1.108 1.081 6.090 1.00 6.04 O ATOM 703 CB ILE A 44 -1.132 2.925 7.300 1.00 6.80 C ATOM 704 CG1 ILE A 44 -2.496 3.690 7.159 1.00 10.31 C ATOM 705 CG2 ILE A 44 -0.533 3.381 8.631 1.00 7.39 C ATOM 706 CD1 ILE A 44 -2.434 5.237 7.206 1.00 13.90 C ATOM 0 H ILE A 44 -0.950 1.805 4.758 1.00 4.58 H new ATOM 0 HA ILE A 44 0.071 4.217 6.056 1.00 5.55 H new ATOM 0 HB ILE A 44 -1.282 1.845 7.297 1.00 6.80 H new ATOM 0 HG12 ILE A 44 -2.955 3.396 6.215 1.00 10.31 H new ATOM 0 HG13 ILE A 44 -3.160 3.352 7.955 1.00 10.31 H new ATOM 0 HG21 ILE A 44 -1.241 3.182 9.436 1.00 7.39 H new ATOM 0 HG22 ILE A 44 0.392 2.837 8.819 1.00 7.39 H new ATOM 0 HG23 ILE A 44 -0.323 4.450 8.588 1.00 7.39 H new ATOM 0 HD11 ILE A 44 -3.439 5.645 7.098 1.00 13.90 H new ATOM 0 HD12 ILE A 44 -2.014 5.555 8.160 1.00 13.90 H new ATOM 0 HD13 ILE A 44 -1.806 5.601 6.393 1.00 13.90 H new ATOM 718 N PHE A 45 2.119 2.871 6.826 1.00 6.75 N ATOM 719 CA PHE A 45 3.210 2.072 7.375 1.00 4.70 C ATOM 720 C PHE A 45 3.780 2.817 8.541 1.00 6.34 C ATOM 721 O PHE A 45 3.988 4.096 8.508 1.00 5.45 O ATOM 722 CB PHE A 45 4.286 1.890 6.267 1.00 5.51 C ATOM 723 CG PHE A 45 5.564 1.317 6.688 1.00 5.98 C ATOM 724 CD1 PHE A 45 5.460 0.121 7.387 1.00 6.86 C ATOM 725 CD2 PHE A 45 6.864 1.881 6.531 1.00 5.87 C ATOM 726 CE1 PHE A 45 6.517 -0.514 7.953 1.00 6.68 C ATOM 727 CE2 PHE A 45 7.974 1.199 7.136 1.00 6.64 C ATOM 728 CZ PHE A 45 7.784 -0.006 7.786 1.00 6.84 C ATOM 0 H PHE A 45 2.255 3.881 6.867 1.00 6.75 H new ATOM 0 HA PHE A 45 2.866 1.091 7.702 1.00 4.70 H new ATOM 0 HB2 PHE A 45 3.868 1.255 5.486 1.00 5.51 H new ATOM 0 HB3 PHE A 45 4.480 2.863 5.816 1.00 5.51 H new ATOM 0 HD1 PHE A 45 4.483 -0.329 7.485 1.00 6.86 H new ATOM 0 HD2 PHE A 45 7.010 2.794 5.973 1.00 5.87 H new ATOM 0 HE1 PHE A 45 6.364 -1.413 8.531 1.00 6.68 H new ATOM 0 HE2 PHE A 45 8.963 1.630 7.083 1.00 6.64 H new ATOM 0 HZ PHE A 45 8.635 -0.552 8.165 1.00 6.84 H new ATOM 738 N ALA A 46 4.051 2.122 9.654 1.00 6.53 N ATOM 739 CA ALA A 46 4.525 2.756 10.844 1.00 7.15 C ATOM 740 C ALA A 46 3.605 3.876 11.331 1.00 9.00 C ATOM 741 O ALA A 46 4.017 4.882 11.845 1.00 11.15 O ATOM 742 CB ALA A 46 5.965 3.239 10.670 1.00 8.99 C ATOM 0 H ALA A 46 3.941 1.111 9.733 1.00 6.53 H new ATOM 0 HA ALA A 46 4.514 2.000 11.629 1.00 7.15 H new ATOM 0 HB1 ALA A 46 6.302 3.718 11.590 1.00 8.99 H new ATOM 0 HB2 ALA A 46 6.609 2.389 10.446 1.00 8.99 H new ATOM 0 HB3 ALA A 46 6.012 3.955 9.850 1.00 8.99 H new ATOM 748 N GLY A 47 2.296 3.667 11.271 1.00 9.35 N ATOM 749 CA GLY A 47 1.267 4.586 11.766 1.00 11.68 C ATOM 750 C GLY A 47 1.134 5.846 10.966 1.00 11.14 C ATOM 751 O GLY A 47 0.368 6.696 11.340 1.00 13.93 O ATOM 0 H GLY A 47 1.902 2.820 10.861 1.00 9.35 H new ATOM 0 HA2 GLY A 47 0.307 4.070 11.772 1.00 11.68 H new ATOM 0 HA3 GLY A 47 1.495 4.847 12.799 1.00 11.68 H new ATOM 755 N LYS A 48 1.958 5.999 9.881 1.00 10.47 N ATOM 756 CA LYS A 48 1.853 7.128 9.016 1.00 8.82 C ATOM 757 C LYS A 48 1.361 6.743 7.602 1.00 7.68 C ATOM 758 O LYS A 48 1.738 5.719 7.008 1.00 6.47 O ATOM 759 CB LYS A 48 3.256 7.814 8.910 1.00 9.74 C ATOM 760 CG LYS A 48 3.632 8.367 10.310 1.00 14.14 C ATOM 761 CD LYS A 48 4.776 9.349 10.299 1.00 16.32 C ATOM 762 CE LYS A 48 5.945 8.804 9.417 1.00 20.04 C ATOM 763 NZ LYS A 48 7.214 9.451 9.744 1.00 23.92 N ATOM 0 H LYS A 48 2.687 5.334 9.620 1.00 10.47 H new ATOM 0 HA LYS A 48 1.116 7.809 9.441 1.00 8.82 H new ATOM 0 HB2 LYS A 48 4.005 7.098 8.570 1.00 9.74 H new ATOM 0 HB3 LYS A 48 3.231 8.620 8.177 1.00 9.74 H new ATOM 0 HG2 LYS A 48 2.757 8.850 10.744 1.00 14.14 H new ATOM 0 HG3 LYS A 48 3.891 7.532 10.961 1.00 14.14 H new ATOM 0 HD2 LYS A 48 4.436 10.310 9.913 1.00 16.32 H new ATOM 0 HD3 LYS A 48 5.128 9.521 11.316 1.00 16.32 H new ATOM 0 HE2 LYS A 48 6.038 7.727 9.560 1.00 20.04 H new ATOM 0 HE3 LYS A 48 5.714 8.967 8.364 1.00 20.04 H new ATOM 0 HZ1 LYS A 48 7.967 9.065 9.139 1.00 23.92 H new ATOM 0 HZ2 LYS A 48 7.133 10.475 9.584 1.00 23.92 H new ATOM 0 HZ3 LYS A 48 7.447 9.274 10.742 1.00 23.92 H new ATOM 777 N GLN A 49 0.561 7.630 7.024 1.00 8.89 N ATOM 778 CA GLN A 49 0.061 7.597 5.677 1.00 7.18 C ATOM 779 C GLN A 49 1.110 7.646 4.629 1.00 8.23 C ATOM 780 O GLN A 49 2.131 8.261 4.717 1.00 9.70 O ATOM 781 CB GLN A 49 -0.865 8.844 5.566 1.00 11.67 C ATOM 782 CG GLN A 49 -2.217 8.658 6.250 1.00 15.82 C ATOM 783 CD GLN A 49 -3.088 9.876 5.898 1.00 20.21 C ATOM 784 OE1 GLN A 49 -3.595 10.002 4.757 1.00 23.23 O ATOM 785 NE2 GLN A 49 -3.108 10.889 6.818 1.00 20.67 N ATOM 0 H GLN A 49 0.226 8.448 7.533 1.00 8.89 H new ATOM 0 HA GLN A 49 -0.448 6.649 5.501 1.00 7.18 H new ATOM 0 HB2 GLN A 49 -0.359 9.703 6.006 1.00 11.67 H new ATOM 0 HB3 GLN A 49 -1.027 9.074 4.513 1.00 11.67 H new ATOM 0 HG2 GLN A 49 -2.693 7.737 5.913 1.00 15.82 H new ATOM 0 HG3 GLN A 49 -2.092 8.576 7.330 1.00 15.82 H new ATOM 0 HE21 GLN A 49 -2.686 10.752 7.737 1.00 20.67 H new ATOM 0 HE22 GLN A 49 -3.545 11.781 6.585 1.00 20.67 H new ATOM 794 N LEU A 50 0.882 6.822 3.583 1.00 6.51 N ATOM 795 CA LEU A 50 1.764 6.725 2.425 1.00 7.41 C ATOM 796 C LEU A 50 1.219 7.456 1.208 1.00 8.27 C ATOM 797 O LEU A 50 0.192 7.111 0.639 1.00 8.34 O ATOM 798 CB LEU A 50 2.006 5.214 2.037 1.00 7.13 C ATOM 799 CG LEU A 50 2.638 4.395 3.166 1.00 7.53 C ATOM 800 CD1 LEU A 50 2.928 2.940 2.781 1.00 8.14 C ATOM 801 CD2 LEU A 50 4.039 5.011 3.510 1.00 9.11 C ATOM 0 H LEU A 50 0.071 6.205 3.529 1.00 6.51 H new ATOM 0 HA LEU A 50 2.701 7.199 2.717 1.00 7.41 H new ATOM 0 HB2 LEU A 50 1.055 4.761 1.757 1.00 7.13 H new ATOM 0 HB3 LEU A 50 2.651 5.170 1.160 1.00 7.13 H new ATOM 0 HG LEU A 50 1.922 4.418 3.988 1.00 7.53 H new ATOM 0 HD11 LEU A 50 3.375 2.421 3.629 1.00 8.14 H new ATOM 0 HD12 LEU A 50 1.998 2.445 2.502 1.00 8.14 H new ATOM 0 HD13 LEU A 50 3.618 2.917 1.938 1.00 8.14 H new ATOM 0 HD21 LEU A 50 4.501 4.437 4.313 1.00 9.11 H new ATOM 0 HD22 LEU A 50 4.677 4.979 2.627 1.00 9.11 H new ATOM 0 HD23 LEU A 50 3.913 6.046 3.829 1.00 9.11 H new ATOM 813 N GLU A 51 1.816 8.575 0.779 1.00 9.43 N ATOM 814 CA GLU A 51 1.341 9.487 -0.264 1.00 11.90 C ATOM 815 C GLU A 51 1.583 9.033 -1.711 1.00 11.49 C ATOM 816 O GLU A 51 2.718 8.841 -2.115 1.00 9.88 O ATOM 817 CB GLU A 51 1.987 10.883 0.001 1.00 16.56 C ATOM 818 CG GLU A 51 1.713 12.097 -0.894 1.00 26.06 C ATOM 819 CD GLU A 51 0.259 12.417 -0.959 1.00 29.86 C ATOM 820 OE1 GLU A 51 -0.338 12.360 0.073 1.00 32.13 O ATOM 821 OE2 GLU A 51 -0.276 12.812 -2.006 1.00 33.44 O ATOM 0 H GLU A 51 2.701 8.886 1.179 1.00 9.43 H new ATOM 0 HA GLU A 51 0.254 9.516 -0.191 1.00 11.90 H new ATOM 0 HB2 GLU A 51 1.704 11.171 1.014 1.00 16.56 H new ATOM 0 HB3 GLU A 51 3.067 10.733 0.002 1.00 16.56 H new ATOM 0 HG2 GLU A 51 2.259 12.960 -0.513 1.00 26.06 H new ATOM 0 HG3 GLU A 51 2.088 11.900 -1.899 1.00 26.06 H new ATOM 828 N ASP A 52 0.499 8.924 -2.460 1.00 12.71 N ATOM 829 CA ASP A 52 0.295 8.353 -3.752 1.00 16.56 C ATOM 830 C ASP A 52 1.530 8.560 -4.707 1.00 15.83 C ATOM 831 O ASP A 52 1.971 7.476 -5.161 1.00 17.21 O ATOM 832 CB ASP A 52 -0.874 9.170 -4.441 1.00 21.05 C ATOM 833 CG ASP A 52 -2.223 9.002 -3.707 1.00 25.12 C ATOM 834 OD1 ASP A 52 -2.933 8.017 -4.013 1.00 25.82 O ATOM 835 OD2 ASP A 52 -2.589 9.877 -2.879 1.00 28.37 O ATOM 0 H ASP A 52 -0.382 9.296 -2.106 1.00 12.71 H new ATOM 0 HA ASP A 52 0.103 7.289 -3.614 1.00 16.56 H new ATOM 0 HB2 ASP A 52 -0.608 10.227 -4.469 1.00 21.05 H new ATOM 0 HB3 ASP A 52 -0.983 8.842 -5.475 1.00 21.05 H new ATOM 840 N GLY A 53 1.957 9.739 -5.052 1.00 15.00 N ATOM 841 CA GLY A 53 3.044 10.007 -5.940 1.00 11.77 C ATOM 842 C GLY A 53 4.500 9.791 -5.468 1.00 11.10 C ATOM 843 O GLY A 53 5.513 9.848 -6.259 1.00 11.25 O ATOM 0 H GLY A 53 1.526 10.592 -4.696 1.00 15.00 H new ATOM 0 HA2 GLY A 53 2.897 9.392 -6.828 1.00 11.77 H new ATOM 0 HA3 GLY A 53 2.956 11.047 -6.255 1.00 11.77 H new ATOM 847 N ARG A 54 4.712 9.501 -4.190 1.00 8.53 N ATOM 848 CA ARG A 54 6.063 9.284 -3.687 1.00 9.05 C ATOM 849 C ARG A 54 6.353 7.820 -3.767 1.00 8.96 C ATOM 850 O ARG A 54 5.459 7.048 -4.065 1.00 11.60 O ATOM 851 CB ARG A 54 6.107 9.591 -2.200 1.00 7.97 C ATOM 852 CG ARG A 54 5.831 11.106 -1.935 1.00 9.62 C ATOM 853 CD ARG A 54 6.118 11.544 -0.494 1.00 12.20 C ATOM 854 NE ARG A 54 5.539 12.959 -0.414 1.00 18.23 N ATOM 855 CZ ARG A 54 5.105 13.529 0.750 1.00 22.08 C ATOM 856 NH1 ARG A 54 5.573 13.043 1.892 1.00 25.50 N ATOM 857 NH2 ARG A 54 4.164 14.471 0.693 1.00 23.38 N ATOM 0 H ARG A 54 3.975 9.411 -3.490 1.00 8.53 H new ATOM 0 HA ARG A 54 6.755 9.902 -4.258 1.00 9.05 H new ATOM 0 HB2 ARG A 54 5.366 8.986 -1.678 1.00 7.97 H new ATOM 0 HB3 ARG A 54 7.083 9.319 -1.797 1.00 7.97 H new ATOM 0 HG2 ARG A 54 6.441 11.701 -2.614 1.00 9.62 H new ATOM 0 HG3 ARG A 54 4.789 11.323 -2.170 1.00 9.62 H new ATOM 0 HD2 ARG A 54 5.645 10.878 0.227 1.00 12.20 H new ATOM 0 HD3 ARG A 54 7.187 11.538 -0.280 1.00 12.20 H new ATOM 0 HE ARG A 54 5.474 13.504 -1.273 1.00 18.23 H new ATOM 0 HH11 ARG A 54 6.236 12.268 1.883 1.00 25.50 H new ATOM 0 HH12 ARG A 54 5.270 13.445 2.779 1.00 25.50 H new ATOM 0 HH21 ARG A 54 3.780 14.755 -0.209 1.00 23.38 H new ATOM 0 HH22 ARG A 54 3.827 14.908 1.551 1.00 23.38 H new ATOM 871 N THR A 55 7.641 7.422 -3.619 1.00 9.05 N ATOM 872 CA THR A 55 8.088 6.073 -3.947 1.00 9.03 C ATOM 873 C THR A 55 8.277 5.204 -2.715 1.00 8.15 C ATOM 874 O THR A 55 8.347 5.712 -1.563 1.00 5.91 O ATOM 875 CB THR A 55 9.379 5.924 -4.751 1.00 11.15 C ATOM 876 OG1 THR A 55 10.513 6.474 -4.136 1.00 11.95 O ATOM 877 CG2 THR A 55 9.189 6.663 -5.989 1.00 11.71 C ATOM 0 H THR A 55 8.382 8.031 -3.271 1.00 9.05 H new ATOM 0 HA THR A 55 7.262 5.754 -4.582 1.00 9.03 H new ATOM 0 HB THR A 55 9.558 4.856 -4.872 1.00 11.15 H new ATOM 0 HG1 THR A 55 10.322 7.395 -3.861 1.00 11.95 H new ATOM 0 HG21 THR A 55 10.088 6.586 -6.600 1.00 11.71 H new ATOM 0 HG22 THR A 55 8.342 6.247 -6.535 1.00 11.71 H new ATOM 0 HG23 THR A 55 8.994 7.711 -5.761 1.00 11.71 H new ATOM 885 N LEU A 56 8.328 3.846 -2.767 1.00 6.91 N ATOM 886 CA LEU A 56 8.613 2.940 -1.637 1.00 8.29 C ATOM 887 C LEU A 56 9.958 3.144 -0.922 1.00 8.05 C ATOM 888 O LEU A 56 9.998 3.026 0.272 1.00 10.17 O ATOM 889 CB LEU A 56 8.540 1.494 -2.075 1.00 6.60 C ATOM 890 CG LEU A 56 7.104 0.993 -2.308 1.00 7.73 C ATOM 891 CD1 LEU A 56 7.169 -0.291 -3.137 1.00 9.85 C ATOM 892 CD2 LEU A 56 6.339 0.733 -0.958 1.00 8.64 C ATOM 0 H LEU A 56 8.164 3.338 -3.636 1.00 6.91 H new ATOM 0 HA LEU A 56 7.837 3.196 -0.915 1.00 8.29 H new ATOM 0 HB2 LEU A 56 9.112 1.372 -2.995 1.00 6.60 H new ATOM 0 HB3 LEU A 56 9.016 0.869 -1.319 1.00 6.60 H new ATOM 0 HG LEU A 56 6.547 1.765 -2.840 1.00 7.73 H new ATOM 0 HD11 LEU A 56 6.159 -0.662 -3.313 1.00 9.85 H new ATOM 0 HD12 LEU A 56 7.651 -0.083 -4.092 1.00 9.85 H new ATOM 0 HD13 LEU A 56 7.743 -1.044 -2.597 1.00 9.85 H new ATOM 0 HD21 LEU A 56 5.330 0.381 -1.173 1.00 8.64 H new ATOM 0 HD22 LEU A 56 6.871 -0.021 -0.378 1.00 8.64 H new ATOM 0 HD23 LEU A 56 6.285 1.659 -0.386 1.00 8.64 H new ATOM 904 N SER A 57 10.996 3.496 -1.659 1.00 8.92 N ATOM 905 CA SER A 57 12.280 4.007 -1.192 1.00 9.00 C ATOM 906 C SER A 57 12.224 5.337 -0.443 1.00 9.44 C ATOM 907 O SER A 57 13.045 5.555 0.436 1.00 10.91 O ATOM 908 CB SER A 57 13.115 4.090 -2.479 1.00 10.32 C ATOM 909 OG SER A 57 14.496 4.392 -2.189 1.00 13.59 O ATOM 0 H SER A 57 10.965 3.428 -2.676 1.00 8.92 H new ATOM 0 HA SER A 57 12.706 3.352 -0.431 1.00 9.00 H new ATOM 0 HB2 SER A 57 13.053 3.144 -3.017 1.00 10.32 H new ATOM 0 HB3 SER A 57 12.702 4.857 -3.134 1.00 10.32 H new ATOM 0 HG SER A 57 15.004 4.437 -3.026 1.00 13.59 H new ATOM 915 N ASP A 58 11.291 6.270 -0.726 1.00 9.11 N ATOM 916 CA ASP A 58 11.193 7.490 0.060 1.00 7.91 C ATOM 917 C ASP A 58 10.761 7.343 1.542 1.00 9.12 C ATOM 918 O ASP A 58 11.144 8.174 2.351 1.00 8.61 O ATOM 919 CB ASP A 58 10.283 8.595 -0.621 1.00 8.41 C ATOM 920 CG ASP A 58 10.764 9.003 -1.979 1.00 11.50 C ATOM 921 OD1 ASP A 58 11.927 9.430 -2.157 1.00 10.05 O ATOM 922 OD2 ASP A 58 9.940 8.787 -2.890 1.00 11.70 O ATOM 0 H ASP A 58 10.611 6.193 -1.482 1.00 9.11 H new ATOM 0 HA ASP A 58 12.237 7.804 0.079 1.00 7.91 H new ATOM 0 HB2 ASP A 58 9.264 8.217 -0.702 1.00 8.41 H new ATOM 0 HB3 ASP A 58 10.247 9.474 0.023 1.00 8.41 H new ATOM 927 N TYR A 59 10.029 6.252 1.835 1.00 7.97 N ATOM 928 CA TYR A 59 9.321 6.004 3.086 1.00 8.45 C ATOM 929 C TYR A 59 9.916 4.861 3.832 1.00 10.98 C ATOM 930 O TYR A 59 9.337 4.353 4.789 1.00 12.95 O ATOM 931 CB TYR A 59 7.800 5.694 2.809 1.00 7.94 C ATOM 932 CG TYR A 59 6.977 6.899 2.615 1.00 6.91 C ATOM 933 CD1 TYR A 59 6.698 7.685 3.731 1.00 4.59 C ATOM 934 CD2 TYR A 59 6.317 7.102 1.378 1.00 6.98 C ATOM 935 CE1 TYR A 59 5.781 8.720 3.654 1.00 5.39 C ATOM 936 CE2 TYR A 59 5.363 8.184 1.341 1.00 6.52 C ATOM 937 CZ TYR A 59 5.102 9.002 2.459 1.00 6.76 C ATOM 938 OH TYR A 59 4.209 10.038 2.306 1.00 7.63 O ATOM 0 H TYR A 59 9.915 5.489 1.168 1.00 7.97 H new ATOM 0 HA TYR A 59 9.411 6.906 3.691 1.00 8.45 H new ATOM 0 HB2 TYR A 59 7.722 5.065 1.922 1.00 7.94 H new ATOM 0 HB3 TYR A 59 7.397 5.120 3.644 1.00 7.94 H new ATOM 0 HD1 TYR A 59 7.202 7.485 4.665 1.00 4.59 H new ATOM 0 HD2 TYR A 59 6.516 6.484 0.515 1.00 6.98 H new ATOM 0 HE1 TYR A 59 5.585 9.321 4.530 1.00 5.39 H new ATOM 0 HE2 TYR A 59 4.829 8.374 0.422 1.00 6.52 H new ATOM 0 HH TYR A 59 4.458 10.775 2.902 1.00 7.63 H new ATOM 948 N ASN A 60 11.114 4.418 3.412 1.00 12.38 N ATOM 949 CA ASN A 60 12.025 3.498 4.096 1.00 13.94 C ATOM 950 C ASN A 60 11.416 2.026 4.081 1.00 14.16 C ATOM 951 O ASN A 60 11.582 1.253 5.045 1.00 14.26 O ATOM 952 CB ASN A 60 12.389 4.009 5.549 1.00 19.23 C ATOM 953 CG ASN A 60 12.880 5.448 5.617 1.00 22.65 C ATOM 954 OD1 ASN A 60 13.694 5.941 4.837 1.00 25.45 O ATOM 955 ND2 ASN A 60 12.398 6.228 6.589 1.00 24.09 N ATOM 0 H ASN A 60 11.495 4.720 2.516 1.00 12.38 H new ATOM 0 HA ASN A 60 12.971 3.465 3.556 1.00 13.94 H new ATOM 0 HB2 ASN A 60 11.509 3.910 6.184 1.00 19.23 H new ATOM 0 HB3 ASN A 60 13.158 3.358 5.966 1.00 19.23 H new ATOM 0 HD21 ASN A 60 12.707 7.197 6.665 1.00 24.09 H new ATOM 0 HD22 ASN A 60 11.721 5.854 7.254 1.00 24.09 H new ATOM 962 N ILE A 61 10.819 1.562 2.906 1.00 11.08 N ATOM 963 CA ILE A 61 10.007 0.387 2.827 1.00 11.78 C ATOM 964 C ILE A 61 10.821 -0.638 2.071 1.00 13.74 C ATOM 965 O ILE A 61 11.185 -0.442 0.889 1.00 14.60 O ATOM 966 CB ILE A 61 8.622 0.581 2.103 1.00 11.80 C ATOM 967 CG1 ILE A 61 7.935 1.661 2.978 1.00 11.56 C ATOM 968 CG2 ILE A 61 7.868 -0.804 2.127 1.00 13.29 C ATOM 969 CD1 ILE A 61 6.544 2.140 2.488 1.00 11.42 C ATOM 0 H ILE A 61 10.924 2.039 2.010 1.00 11.08 H new ATOM 0 HA ILE A 61 9.752 0.088 3.844 1.00 11.78 H new ATOM 0 HB ILE A 61 8.664 0.888 1.058 1.00 11.80 H new ATOM 0 HG12 ILE A 61 7.828 1.269 3.989 1.00 11.56 H new ATOM 0 HG13 ILE A 61 8.595 2.526 3.040 1.00 11.56 H new ATOM 0 HG21 ILE A 61 6.903 -0.701 1.631 1.00 13.29 H new ATOM 0 HG22 ILE A 61 8.465 -1.553 1.606 1.00 13.29 H new ATOM 0 HG23 ILE A 61 7.714 -1.117 3.160 1.00 13.29 H new ATOM 0 HD11 ILE A 61 6.157 2.894 3.173 1.00 11.42 H new ATOM 0 HD12 ILE A 61 6.638 2.570 1.491 1.00 11.42 H new ATOM 0 HD13 ILE A 61 5.858 1.293 2.455 1.00 11.42 H new ATOM 981 N GLN A 62 11.239 -1.731 2.879 1.00 13.97 N ATOM 982 CA GLN A 62 12.268 -2.669 2.508 1.00 15.52 C ATOM 983 C GLN A 62 11.709 -4.102 2.215 1.00 13.94 C ATOM 984 O GLN A 62 10.576 -4.343 2.484 1.00 12.15 O ATOM 985 CB GLN A 62 13.378 -2.675 3.554 1.00 19.53 C ATOM 986 CG GLN A 62 12.984 -3.441 4.886 1.00 26.38 C ATOM 987 CD GLN A 62 14.138 -3.406 5.915 1.00 30.61 C ATOM 988 OE1 GLN A 62 15.112 -2.713 5.728 1.00 33.23 O ATOM 989 NE2 GLN A 62 13.935 -4.197 6.967 1.00 32.71 N ATOM 0 H GLN A 62 10.829 -1.926 3.792 1.00 13.97 H new ATOM 0 HA GLN A 62 12.697 -2.334 1.564 1.00 15.52 H new ATOM 0 HB2 GLN A 62 14.267 -3.138 3.127 1.00 19.53 H new ATOM 0 HB3 GLN A 62 13.641 -1.646 3.800 1.00 19.53 H new ATOM 0 HG2 GLN A 62 12.093 -2.987 5.320 1.00 26.38 H new ATOM 0 HG3 GLN A 62 12.733 -4.476 4.653 1.00 26.38 H new ATOM 0 HE21 GLN A 62 13.078 -4.745 7.035 1.00 32.71 H new ATOM 0 HE22 GLN A 62 14.637 -4.254 7.705 1.00 32.71 H new ATOM 998 N LYS A 63 12.575 -5.059 1.804 1.00 11.73 N ATOM 999 CA LYS A 63 12.159 -6.423 1.625 1.00 11.97 C ATOM 1000 C LYS A 63 11.527 -7.117 2.810 1.00 10.41 C ATOM 1001 O LYS A 63 12.202 -7.469 3.767 1.00 9.59 O ATOM 1002 CB LYS A 63 13.342 -7.232 1.035 1.00 13.73 C ATOM 1003 CG LYS A 63 14.645 -7.135 1.931 1.00 16.98 C ATOM 1004 CD LYS A 63 15.820 -7.967 1.404 1.00 20.19 C ATOM 1005 CE LYS A 63 17.015 -8.177 2.343 1.00 23.42 C ATOM 1006 NZ LYS A 63 16.615 -8.889 3.529 1.00 25.97 N ATOM 0 H LYS A 63 13.559 -4.887 1.597 1.00 11.73 H new ATOM 0 HA LYS A 63 11.322 -6.381 0.929 1.00 11.97 H new ATOM 0 HB2 LYS A 63 13.050 -8.277 0.935 1.00 13.73 H new ATOM 0 HB3 LYS A 63 13.565 -6.866 0.033 1.00 13.73 H new ATOM 0 HG2 LYS A 63 14.952 -6.091 1.998 1.00 16.98 H new ATOM 0 HG3 LYS A 63 14.405 -7.462 2.943 1.00 16.98 H new ATOM 0 HD2 LYS A 63 15.438 -8.948 1.121 1.00 20.19 H new ATOM 0 HD3 LYS A 63 16.187 -7.493 0.494 1.00 20.19 H new ATOM 0 HE2 LYS A 63 17.796 -8.734 1.826 1.00 23.42 H new ATOM 0 HE3 LYS A 63 17.440 -7.212 2.619 1.00 23.42 H new ATOM 0 HZ1 LYS A 63 17.460 -9.183 4.059 1.00 25.97 H new ATOM 0 HZ2 LYS A 63 16.031 -8.269 4.125 1.00 25.97 H new ATOM 0 HZ3 LYS A 63 16.065 -9.730 3.260 1.00 25.97 H new ATOM 1020 N GLU A 64 10.222 -7.474 2.639 1.00 10.04 N ATOM 1021 CA GLU A 64 9.471 -8.346 3.496 1.00 10.94 C ATOM 1022 C GLU A 64 8.877 -7.525 4.645 1.00 9.74 C ATOM 1023 O GLU A 64 8.341 -7.977 5.670 1.00 9.42 O ATOM 1024 CB GLU A 64 10.178 -9.641 3.924 1.00 18.31 C ATOM 1025 CG GLU A 64 10.690 -10.441 2.657 1.00 24.16 C ATOM 1026 CD GLU A 64 11.620 -11.591 2.907 1.00 29.00 C ATOM 1027 OE1 GLU A 64 12.095 -11.729 4.065 1.00 31.72 O ATOM 1028 OE2 GLU A 64 11.969 -12.359 1.951 1.00 32.61 O ATOM 0 H GLU A 64 9.669 -7.129 1.855 1.00 10.04 H new ATOM 0 HA GLU A 64 8.654 -8.758 2.904 1.00 10.94 H new ATOM 0 HB2 GLU A 64 11.019 -9.404 4.576 1.00 18.31 H new ATOM 0 HB3 GLU A 64 9.493 -10.262 4.501 1.00 18.31 H new ATOM 0 HG2 GLU A 64 9.820 -10.820 2.121 1.00 24.16 H new ATOM 0 HG3 GLU A 64 11.192 -9.738 1.993 1.00 24.16 H new ATOM 1035 N SER A 65 8.919 -6.218 4.474 1.00 6.85 N ATOM 1036 CA SER A 65 8.139 -5.239 5.210 1.00 6.90 C ATOM 1037 C SER A 65 6.658 -5.182 5.024 1.00 4.72 C ATOM 1038 O SER A 65 6.078 -5.535 3.972 1.00 3.91 O ATOM 1039 CB SER A 65 8.779 -3.763 5.119 1.00 7.28 C ATOM 1040 OG SER A 65 8.337 -2.961 6.190 1.00 10.56 O ATOM 0 H SER A 65 9.531 -5.786 3.781 1.00 6.85 H new ATOM 0 HA SER A 65 8.223 -5.649 6.217 1.00 6.90 H new ATOM 0 HB2 SER A 65 9.867 -3.831 5.134 1.00 7.28 H new ATOM 0 HB3 SER A 65 8.502 -3.299 4.172 1.00 7.28 H new ATOM 0 HG SER A 65 8.737 -2.069 6.118 1.00 10.56 H new ATOM 1046 N THR A 66 5.937 -4.813 6.116 1.00 4.48 N ATOM 1047 CA THR A 66 4.524 -5.070 6.177 1.00 3.80 C ATOM 1048 C THR A 66 3.841 -3.755 6.245 1.00 4.60 C ATOM 1049 O THR A 66 3.885 -3.023 7.245 1.00 5.33 O ATOM 1050 CB THR A 66 4.130 -5.853 7.425 1.00 2.85 C ATOM 1051 OG1 THR A 66 4.896 -7.038 7.497 1.00 2.15 O ATOM 1052 CG2 THR A 66 2.652 -6.285 7.319 1.00 3.40 C ATOM 0 H THR A 66 6.326 -4.348 6.936 1.00 4.48 H new ATOM 0 HA THR A 66 4.243 -5.657 5.303 1.00 3.80 H new ATOM 0 HB THR A 66 4.294 -5.221 8.298 1.00 2.85 H new ATOM 0 HG1 THR A 66 4.645 -7.541 8.299 1.00 2.15 H new ATOM 0 HG21 THR A 66 2.372 -6.845 8.211 1.00 3.40 H new ATOM 0 HG22 THR A 66 2.020 -5.401 7.231 1.00 3.40 H new ATOM 0 HG23 THR A 66 2.519 -6.915 6.439 1.00 3.40 H new ATOM 1060 N LEU A 67 3.039 -3.423 5.221 1.00 4.17 N ATOM 1061 CA LEU A 67 2.129 -2.278 5.129 1.00 3.85 C ATOM 1062 C LEU A 67 0.816 -2.567 5.754 1.00 3.80 C ATOM 1063 O LEU A 67 0.350 -3.702 5.863 1.00 5.54 O ATOM 1064 CB LEU A 67 1.894 -1.849 3.662 1.00 7.18 C ATOM 1065 CG LEU A 67 3.162 -1.628 2.812 1.00 9.67 C ATOM 1066 CD1 LEU A 67 2.687 -1.345 1.314 1.00 8.12 C ATOM 1067 CD2 LEU A 67 4.049 -0.492 3.326 1.00 11.66 C ATOM 0 H LEU A 67 3.010 -3.992 4.375 1.00 4.17 H new ATOM 0 HA LEU A 67 2.614 -1.465 5.669 1.00 3.85 H new ATOM 0 HB2 LEU A 67 1.282 -2.609 3.176 1.00 7.18 H new ATOM 0 HB3 LEU A 67 1.315 -0.925 3.662 1.00 7.18 H new ATOM 0 HG LEU A 67 3.783 -2.522 2.871 1.00 9.67 H new ATOM 0 HD11 LEU A 67 3.559 -1.183 0.680 1.00 8.12 H new ATOM 0 HD12 LEU A 67 2.123 -2.201 0.943 1.00 8.12 H new ATOM 0 HD13 LEU A 67 2.054 -0.458 1.294 1.00 8.12 H new ATOM 0 HD21 LEU A 67 4.922 -0.392 2.681 1.00 11.66 H new ATOM 0 HD22 LEU A 67 3.485 0.441 3.320 1.00 11.66 H new ATOM 0 HD23 LEU A 67 4.372 -0.714 4.343 1.00 11.66 H new ATOM 1079 N HIS A 68 0.080 -1.481 6.142 1.00 2.94 N ATOM 1080 CA HIS A 68 -1.247 -1.695 6.549 1.00 4.17 C ATOM 1081 C HIS A 68 -2.134 -1.020 5.453 1.00 5.32 C ATOM 1082 O HIS A 68 -1.769 0.018 4.956 1.00 7.70 O ATOM 1083 CB HIS A 68 -1.546 -1.083 7.948 1.00 5.57 C ATOM 1084 CG HIS A 68 -1.356 -2.066 9.044 1.00 9.95 C ATOM 1085 ND1 HIS A 68 -0.089 -2.346 9.581 1.00 13.74 N ATOM 1086 CD2 HIS A 68 -2.221 -2.842 9.769 1.00 12.79 C ATOM 1087 CE1 HIS A 68 -0.259 -3.180 10.629 1.00 14.75 C ATOM 1088 NE2 HIS A 68 -1.534 -3.545 10.772 1.00 16.30 N ATOM 0 H HIS A 68 0.407 -0.515 6.165 1.00 2.94 H new ATOM 0 HA HIS A 68 -1.449 -2.761 6.649 1.00 4.17 H new ATOM 0 HB2 HIS A 68 -0.894 -0.226 8.114 1.00 5.57 H new ATOM 0 HB3 HIS A 68 -2.571 -0.712 7.969 1.00 5.57 H new ATOM 0 HD2 HIS A 68 -3.285 -2.905 9.594 1.00 12.79 H new ATOM 0 HE1 HIS A 68 0.541 -3.512 11.274 1.00 14.75 H new ATOM 0 HE2 HIS A 68 -1.924 -4.192 11.458 1.00 16.30 H new ATOM 1096 N LEU A 69 -3.309 -1.632 5.184 1.00 5.29 N ATOM 1097 CA LEU A 69 -4.226 -1.120 4.206 1.00 3.97 C ATOM 1098 C LEU A 69 -5.512 -0.877 4.943 1.00 5.07 C ATOM 1099 O LEU A 69 -6.153 -1.788 5.506 1.00 4.34 O ATOM 1100 CB LEU A 69 -4.452 -2.201 3.185 1.00 6.08 C ATOM 1101 CG LEU A 69 -5.511 -2.008 2.077 1.00 7.37 C ATOM 1102 CD1 LEU A 69 -5.204 -0.824 1.135 1.00 6.87 C ATOM 1103 CD2 LEU A 69 -5.730 -3.301 1.351 1.00 9.96 C ATOM 0 H LEU A 69 -3.623 -2.485 5.647 1.00 5.29 H new ATOM 0 HA LEU A 69 -3.862 -0.216 3.718 1.00 3.97 H new ATOM 0 HB2 LEU A 69 -3.497 -2.386 2.692 1.00 6.08 H new ATOM 0 HB3 LEU A 69 -4.712 -3.110 3.727 1.00 6.08 H new ATOM 0 HG LEU A 69 -6.449 -1.728 2.556 1.00 7.37 H new ATOM 0 HD11 LEU A 69 -5.988 -0.746 0.381 1.00 6.87 H new ATOM 0 HD12 LEU A 69 -5.163 0.099 1.713 1.00 6.87 H new ATOM 0 HD13 LEU A 69 -4.244 -0.988 0.645 1.00 6.87 H new ATOM 0 HD21 LEU A 69 -6.478 -3.158 0.571 1.00 9.96 H new ATOM 0 HD22 LEU A 69 -4.793 -3.628 0.900 1.00 9.96 H new ATOM 0 HD23 LEU A 69 -6.078 -4.058 2.053 1.00 9.96 H new ATOM 1115 N VAL A 70 -5.968 0.408 5.010 1.00 4.29 N ATOM 1116 CA VAL A 70 -7.050 0.937 5.800 1.00 6.26 C ATOM 1117 C VAL A 70 -8.132 1.691 4.944 1.00 9.22 C ATOM 1118 O VAL A 70 -7.863 1.911 3.722 1.00 9.36 O ATOM 1119 CB VAL A 70 -6.616 1.940 6.916 1.00 8.69 C ATOM 1120 CG1 VAL A 70 -5.465 1.293 7.752 1.00 9.76 C ATOM 1121 CG2 VAL A 70 -6.136 3.358 6.445 1.00 8.54 C ATOM 0 H VAL A 70 -5.529 1.140 4.452 1.00 4.29 H new ATOM 0 HA VAL A 70 -7.458 0.034 6.253 1.00 6.26 H new ATOM 0 HB VAL A 70 -7.526 2.122 7.487 1.00 8.69 H new ATOM 0 HG11 VAL A 70 -5.152 1.983 8.535 1.00 9.76 H new ATOM 0 HG12 VAL A 70 -5.820 0.367 8.205 1.00 9.76 H new ATOM 0 HG13 VAL A 70 -4.619 1.077 7.100 1.00 9.76 H new ATOM 0 HG21 VAL A 70 -5.864 3.957 7.314 1.00 8.54 H new ATOM 0 HG22 VAL A 70 -5.270 3.251 5.792 1.00 8.54 H new ATOM 0 HG23 VAL A 70 -6.941 3.853 5.901 1.00 8.54 H new ATOM 1131 N LEU A 71 -9.322 1.984 5.524 1.00 12.71 N ATOM 1132 CA LEU A 71 -10.481 2.377 4.676 1.00 16.06 C ATOM 1133 C LEU A 71 -10.458 3.846 4.156 1.00 18.09 C ATOM 1134 O LEU A 71 -10.290 4.823 4.864 1.00 19.26 O ATOM 1135 CB LEU A 71 -11.810 2.044 5.395 1.00 17.10 C ATOM 1136 CG LEU A 71 -13.096 2.161 4.518 1.00 19.37 C ATOM 1137 CD1 LEU A 71 -13.114 1.121 3.407 1.00 17.51 C ATOM 1138 CD2 LEU A 71 -14.354 2.044 5.369 1.00 19.57 C ATOM 0 H LEU A 71 -9.504 1.959 6.527 1.00 12.71 H new ATOM 0 HA LEU A 71 -10.396 1.777 3.770 1.00 16.06 H new ATOM 0 HB2 LEU A 71 -11.748 1.028 5.784 1.00 17.10 H new ATOM 0 HB3 LEU A 71 -11.915 2.708 6.253 1.00 17.10 H new ATOM 0 HG LEU A 71 -13.080 3.148 4.056 1.00 19.37 H new ATOM 0 HD11 LEU A 71 -14.024 1.234 2.818 1.00 17.51 H new ATOM 0 HD12 LEU A 71 -12.245 1.261 2.763 1.00 17.51 H new ATOM 0 HD13 LEU A 71 -13.085 0.122 3.843 1.00 17.51 H new ATOM 0 HD21 LEU A 71 -15.234 2.129 4.731 1.00 19.57 H new ATOM 0 HD22 LEU A 71 -14.364 1.078 5.873 1.00 19.57 H new ATOM 0 HD23 LEU A 71 -14.366 2.841 6.112 1.00 19.57 H new